data_5ymy_residue ############################ # Computer software used # ############################ 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 5ymy _Structure_validation_residue.Date_analyzed 2019-03-08 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 ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtt . . . . . 0 CA--C 1.549 0.941 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -91.12 138.28 31.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 126.86 2.6 . . . . 0.0 108.852 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.23 162.99 38.27 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 173.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.96 140.17 49.52 Favored 'General case' 0 N--CA 1.514 2.749 1 O-C-N 130.524 4.89 . . . . 0.0 108.778 179.575 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.05 114.26 44.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 CA-C-O 113.402 -3.189 . . . . 0.0 105.602 175.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 127.52 41.33 Favored 'General case' 0 N--CA 1.507 2.397 1 O-C-N 129.429 4.205 . . . . 0.0 107.933 -178.156 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.3 p -99.57 170.72 8.4 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.86 -1.067 . . . . 0.0 109.381 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.29 -7.02 49.78 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.079 0.862 . . . . 0.0 112.688 -177.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.57 15.1 29.95 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.616 -2.434 . . . . 0.0 111.976 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.68 80.19 Favored Glycine 0 C--N 1.298 -1.575 0 O-C-N 120.187 -1.571 . . . . 0.0 116.101 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -96.48 138.13 34.52 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 p -119.97 131.64 55.24 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.62 2.45 . . . . 0.0 105.937 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 pt -109.58 141.92 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 127.706 3.129 . . . . 0.0 108.909 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.9 t -101.38 139.66 36.73 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.23 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.6 mt -126.37 154.01 44.15 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 115.351 -2.261 . . . . 0.0 108.43 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -111.83 121.0 43.88 Favored 'General case' 0 N--CA 1.499 2.019 1 O-C-N 129.283 4.114 . . . . 0.0 103.642 173.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 t -138.91 170.61 16.02 Favored 'Isoleucine or valine' 0 C--O 1.255 1.367 0 O-C-N 127.537 3.023 . . . . 0.0 111.195 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.95 144.5 37.63 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 112.354 -2.203 . . . . 0.0 106.36 174.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -54.96 -24.35 39.06 Favored 'Trans proline' 0 C--N 1.321 -0.911 0 C-N-CA 122.423 2.082 . . . . 0.0 112.015 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -8.13 59.2 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.903 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -70.99 148.39 47.69 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 117.503 -1.679 . . . . 0.0 109.814 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.73 160.56 21.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 175.779 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.492 HG21 HD11 ' A' ' 50' ' ' LEU . 1.6 mp -61.55 -37.03 76.91 Favored 'Isoleucine or valine' 0 C--O 1.246 0.884 0 O-C-N 127.304 2.877 . . . . 0.0 110.258 175.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 1.025 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.51 -40.26 78.3 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.229 -0.919 . . . . 0.0 110.792 176.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.21 -41.97 80.54 Favored 'General case' 0 C--O 1.263 1.77 0 O-C-N 121.801 -0.562 . . . . 0.0 110.953 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.4 t -58.27 -46.44 88.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 O-C-N 124.4 1.063 . . . . 0.0 109.159 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 1.025 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 15.3 pttp -60.77 -37.91 83.46 Favored 'General case' 0 C--O 1.26 1.623 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.76 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' A' ' 27' ' ' LYS . . . -66.21 -38.02 86.98 Favored 'General case' 0 C--O 1.277 2.501 0 CA-C-N 118.178 0.445 . . . . 0.0 111.184 176.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -37.44 87.48 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 120.441 -1.412 . . . . 0.0 110.697 176.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.8 mt -69.98 -39.59 77.62 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.21 -48.67 78.98 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.538 2.589 . . . . 0.0 109.138 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -41.73 65.92 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.455 -1.702 . . . . 0.0 111.931 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 0.1 OUTLIER -93.56 -24.29 18.01 Favored 'General case' 0 C--O 1.28 2.703 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -175.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -123.37 -6.38 8.21 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 123.053 2.661 . . . . 0.0 114.245 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.97 5.68 89.98 Favored Glycine 0 CA--C 1.477 -2.324 0 N-CA-C 118.955 2.342 . . . . 0.0 118.955 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 22.6 mm -79.8 124.73 83.25 Favored Pre-proline 0 C--O 1.243 0.758 0 C-N-CA 118.909 -1.117 . . . . 0.0 110.954 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.1 Cg_exo -56.91 136.8 78.68 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.293 2.662 . . . . 0.0 110.85 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.551 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 53.4 Cg_exo -57.18 -31.89 91.87 Favored 'Trans proline' 0 C--O 1.262 1.7 0 O-C-N 123.023 1.012 . . . . 0.0 113.634 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.52 -15.36 63.51 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 119.939 -1.726 . . . . 0.0 112.161 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.94 -10.3 29.05 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.718 -1.239 . . . . 0.0 112.11 178.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.86 129.68 34.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 124.417 2.056 . . . . 0.0 115.73 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.1 116.11 24.38 Favored 'General case' 0 C--O 1.299 3.677 0 N-CA-C 104.905 -2.258 . . . . 0.0 104.905 171.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.574 ' CB ' ' HG ' ' A' ' 50' ' ' LEU . 2.8 mm? -103.53 130.19 50.88 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 119.476 1.034 . . . . 0.0 109.921 -177.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.4 mm -122.02 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 O-C-N 125.1 1.5 . . . . 0.0 111.919 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -144.39 129.53 18.63 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 46.15 19.72 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.719 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' C' ' 74' ' ' ILE . . . 61.55 21.75 60.72 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 128.703 3.049 . . . . 0.0 117.488 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -115.03 142.82 46.12 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -85.83 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.528 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 174.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -79.52 138.18 37.43 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 117.651 -1.166 . . . . 0.0 110.175 -175.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -101.87 140.07 36.65 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 125.041 1.463 . . . . 0.0 109.942 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -47.91 -42.54 27.38 Favored 'General case' 0 C--O 1.264 1.824 0 N-CA-C 120.775 3.621 . . . . 0.0 120.775 -175.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 -8.85 85.51 Favored Glycine 0 CA--C 1.49 -1.502 0 N-CA-C 116.276 1.271 . . . . 0.0 116.276 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -85.42 165.41 17.22 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 119.761 -2.023 . . . . 0.0 108.024 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 25.5 p -104.52 164.8 11.49 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.57 -35.99 79.38 Favored 'General case' 0 C--O 1.201 -1.448 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.7 t -64.22 -29.44 70.55 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 117.287 -1.765 . . . . 0.0 112.206 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.53 -39.56 70.7 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 122.39 1.09 . . . . 0.0 110.619 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -90.85 4.69 51.1 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 117.694 -1.145 . . . . 0.0 112.999 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.8 t30 58.15 45.21 17.9 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 121.574 1.988 . . . . 0.0 111.146 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.7 mt -88.78 116.43 30.39 Favored 'Isoleucine or valine' 0 C--O 1.266 1.958 0 CA-C-O 115.196 -2.335 . . . . 0.0 106.156 175.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.45 169.71 8.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 126.034 2.084 . . . . 0.0 109.379 -176.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.9 142.91 27.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.253 1.502 . . . . 0.0 109.077 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.1 19.22 10.48 Favored 'General case' 0 C--O 1.254 1.329 0 N-CA-C 117.912 2.56 . . . . 0.0 117.912 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -71.26 159.61 34.3 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.21 126.82 52.44 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 118.149 -0.929 . . . . 0.0 108.79 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 mt -103.15 154.54 19.2 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.763 -2.541 . . . . 0.0 105.624 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.804 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -105.66 135.68 46.63 Favored 'General case' 0 C--N 1.287 -2.13 0 O-C-N 127.42 2.95 . . . . 0.0 105.941 177.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -106.97 115.84 30.88 Favored 'General case' 0 C--O 1.284 2.872 0 CA-C-O 117.62 -1.181 . . . . 0.0 111.384 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.0 139.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 N-CA-C 103.654 -2.721 . . . . 0.0 103.654 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.1 138.85 33.12 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.199 0.523 . . . . 0.0 109.864 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.512 0 CA-C-O 113.14 -3.315 . . . . 0.0 105.558 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.6 ptp . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -90.96 138.51 31.55 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 127.142 2.777 . . . . 0.0 108.731 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -131.2 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 CA-C-O 115.816 -2.04 . . . . 0.0 105.902 173.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -116.0 140.18 49.52 Favored 'General case' 0 N--CA 1.514 2.761 1 O-C-N 130.573 4.921 . . . . 0.0 108.595 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.92 114.18 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-O 113.444 -3.17 . . . . 0.0 105.776 175.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.2 127.59 41.37 Favored 'General case' 0 N--CA 1.502 2.156 1 O-C-N 129.162 4.039 . . . . 0.0 108.131 -178.1 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.9 p -99.58 170.82 8.32 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.297 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -7.01 49.76 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 124.105 0.878 . . . . 0.0 112.879 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.4 t -101.14 14.73 31.04 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 115.661 -2.415 . . . . 0.0 112.009 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.67 80.05 Favored Glycine 0 C--N 1.295 -1.704 0 O-C-N 120.162 -1.586 . . . . 0.0 116.034 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.27 137.92 34.64 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 174.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.89 131.88 55.38 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 126.401 2.313 . . . . 0.0 106.174 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.51 141.8 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 127.746 3.154 . . . . 0.0 109.099 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -101.25 139.9 36.29 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 116.933 -1.907 . . . . 0.0 108.404 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt -126.52 154.01 44.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.494 -2.193 . . . . 0.0 108.437 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.8 121.11 44.18 Favored 'General case' 0 N--CA 1.497 1.91 1 O-C-N 129.283 4.114 . . . . 0.0 103.52 174.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 m -139.02 170.63 15.88 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 O-C-N 127.798 3.186 . . . . 0.0 111.272 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' B' ' 19' ' ' PRO . 6.0 mm-40 -120.04 144.65 38.09 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.314 174.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 18' ' ' GLU . 77.7 Cg_exo -55.03 -24.63 40.9 Favored 'Trans proline' 0 C--N 1.317 -1.097 0 C-N-CA 122.627 2.218 . . . . 0.0 111.515 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -8.2 59.18 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.878 -177.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.97 148.61 47.5 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 117.31 -1.756 . . . . 0.0 109.742 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.2 p -83.97 160.49 21.03 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 175.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 mm -61.46 -36.66 74.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 126.921 2.638 . . . . 0.0 110.449 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.761 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.19 -42.98 78.0 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 120.363 -1.461 . . . . 0.0 110.969 176.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -64.3 -44.62 91.07 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 124.264 1.025 . . . . 0.0 111.436 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.59 -46.25 90.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 O-C-N 124.886 1.366 . . . . 0.0 108.994 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.476 ' O ' HG13 ' B' ' 30' ' ' ILE . 23.4 mtpt -60.78 -38.02 83.86 Favored 'General case' 0 C--O 1.256 1.402 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.805 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.95 86.63 Favored 'General case' 0 C--O 1.279 2.624 0 O-C-N 123.468 0.48 . . . . 0.0 111.387 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -64.03 -37.5 87.67 Favored 'General case' 0 C--O 1.254 1.3 0 O-C-N 120.438 -1.414 . . . . 0.0 110.825 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.484 HG13 ' N ' ' B' ' 31' ' ' GLN . 0.6 OUTLIER -69.69 -39.72 78.44 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 0.484 ' N ' HG13 ' B' ' 30' ' ' ILE . 2.5 tt0 -62.0 -48.86 78.42 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.547 2.594 . . . . 0.0 108.968 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -53.35 -41.86 66.24 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.82 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.4 OUTLIER -93.36 -24.32 18.13 Favored 'General case' 0 C--O 1.28 2.7 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 -175.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -123.68 -6.4 8.03 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 122.938 2.608 . . . . 0.0 113.784 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.09 5.6 90.0 Favored Glycine 0 CA--C 1.476 -2.379 0 N-CA-C 118.744 2.257 . . . . 0.0 118.744 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 mt -79.85 125.1 82.82 Favored Pre-proline 0 C--O 1.241 0.655 0 C-N-CA 118.682 -1.207 . . . . 0.0 111.003 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -57.2 137.0 79.79 Favored 'Trans proline' 0 C--O 1.256 1.384 0 C-N-CA 122.935 2.424 . . . . 0.0 110.899 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -57.21 -32.25 92.98 Favored 'Trans proline' 0 C--O 1.261 1.659 0 O-C-N 123.141 1.074 . . . . 0.0 113.324 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -15.52 63.6 Favored 'General case' 0 C--O 1.264 1.867 0 O-C-N 120.014 -1.679 . . . . 0.0 112.239 -177.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.425 ' HB3' ' CD2' ' B' ' 71' ' ' LEU . 0.1 OUTLIER -95.52 -10.59 29.26 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.462 -1.399 . . . . 0.0 112.207 178.405 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -84.84 129.66 34.78 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 124.207 1.955 . . . . 0.0 115.682 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -121.22 116.15 24.36 Favored 'General case' 0 C--O 1.299 3.663 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.63 130.33 51.06 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.484 1.038 . . . . 0.0 109.958 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.01 131.56 72.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 O-C-N 125.122 1.514 . . . . 0.0 111.987 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.25 129.83 19.07 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 45.98 19.82 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 111.979 -2.373 . . . . 0.0 110.693 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 20.27 59.5 Favored Glycine 0 C--N 1.298 -1.542 0 C-N-CA 128.217 2.818 . . . . 0.0 117.372 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -109.95 143.83 39.34 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 115.371 -2.252 . . . . 0.0 110.912 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.457 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.1 OUTLIER -87.17 130.34 34.58 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 103.971 -2.603 . . . . 0.0 103.971 173.38 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -79.58 138.37 37.44 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.074 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -101.94 139.98 36.84 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 125.178 1.549 . . . . 0.0 109.924 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.761 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.8 OUTLIER -48.17 -42.08 28.67 Favored 'General case' 0 C--O 1.262 1.723 0 N-CA-C 120.782 3.623 . . . . 0.0 120.782 -175.764 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.19 -8.58 85.22 Favored Glycine 0 CA--C 1.493 -1.339 0 N-CA-C 115.991 1.156 . . . . 0.0 115.991 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -85.6 165.33 17.13 Favored 'General case' 0 C--O 1.251 1.177 0 O-C-N 120.138 -1.801 . . . . 0.0 108.037 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 45.1 p -104.44 164.46 11.73 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.01 -36.42 79.46 Favored 'General case' 0 C--O 1.201 -1.47 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -63.66 -29.81 71.0 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.29 -1.764 . . . . 0.0 112.135 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.62 -39.06 70.31 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 122.554 1.169 . . . . 0.0 110.861 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -91.04 4.5 51.95 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.942 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.87 45.44 18.43 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-N 121.666 2.03 . . . . 0.0 111.301 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 8.3 mt -88.78 116.19 29.98 Favored 'Isoleucine or valine' 0 C--O 1.27 2.153 0 CA-C-O 115.106 -2.378 . . . . 0.0 106.259 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -103.29 169.62 8.44 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 126.048 2.093 . . . . 0.0 109.783 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 142.9 28.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.071 1.415 . . . . 0.0 109.287 -176.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 67.1 19.05 10.5 Favored 'General case' 0 C--O 1.256 1.437 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -71.06 159.47 34.67 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 50.9 m -118.9 126.6 52.16 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 118.108 -0.948 . . . . 0.0 108.896 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.13 154.59 19.14 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.726 -2.559 . . . . 0.0 105.703 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -105.58 135.73 46.45 Favored 'General case' 0 C--N 1.283 -2.295 0 O-C-N 127.489 2.993 . . . . 0.0 105.714 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tp -107.03 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.865 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.43 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.17 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 103.462 -2.792 . . . . 0.0 103.462 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.466 ' C ' ' CD2' ' B' ' 71' ' ' LEU . 2.6 tt -96.11 -83.52 0.37 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.1 0.476 . . . . 0.0 109.805 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.49 ' HB2' ' HA2' ' C' ' 101' ' ' GLY . 6.5 mmm180 . . . . . 0 C--N 1.278 -2.515 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.407 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 mptt . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.63 0.729 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -89.09 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.558 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.2 -39.6 75.09 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.675 0.75 . . . . 0.0 111.885 172.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -144.3 136.11 22.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.233 1.413 . . . . 0.0 107.474 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.34 148.03 34.23 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.59 165.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -161.01 155.17 22.84 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.263 0.977 . . . . 0.0 111.181 173.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -72.21 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.331 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . 0.61 ' HB3' ' CD2' ' C' ' 107' ' ' PHE . . . -166.16 147.73 6.78 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.077 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.89 25.12 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 108.247 -1.941 . . . . 0.0 108.247 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.17 -179.22 3.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.8 mtt -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -136.64 156.57 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.108 -1.437 . . . . 0.0 108.781 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.28 -116.09 8.67 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -113.95 14.55 18.49 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.332 -0.434 . . . . 0.0 110.018 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 85.9 m -111.96 122.48 47.89 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 -172.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 44.6 t -76.08 119.99 25.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -124.08 119.31 26.56 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.17 -173.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.91 134.81 59.11 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 117.935 -0.91 . . . . 0.0 111.863 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 172.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.21 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -67.08 144.41 56.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.11 125.58 26.81 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . 0.435 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.26 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.221 1.456 . . . . 0.0 115.299 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 tt -128.39 124.38 36.17 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 5.1 m -91.0 137.54 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.12 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 164.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -151.86 157.82 42.4 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.964 0.888 . . . . 0.0 113.032 175.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 1.8 mp -118.81 131.08 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.599 -1.637 . . . . 0.0 108.325 174.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -134.05 137.64 44.8 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -100.16 122.04 42.37 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 77.7 p -84.1 171.12 13.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.248 0.546 . . . . 0.0 111.248 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.53 -10.44 59.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.691 -0.804 . . . . 0.0 113.165 -170.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m 73.8 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.404 1.482 . . . . 0.0 114.791 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mp -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -102.19 129.08 54.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.176 -177.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 13.3 m-70 -117.64 125.32 50.53 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -176.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -98.8 118.98 36.77 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 75.5 m -127.65 156.85 41.68 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.5 128.26 40.83 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.587 -1.642 . . . . 0.0 108.763 169.223 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.62 134.32 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.745 -176.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.26 115.36 13.68 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -63.98 -32.47 74.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -176.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -46.13 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -91.46 -20.44 21.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.574 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.5 2.72 60.6 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 80.5 t -84.19 109.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -94.54 -28.83 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.931 -171.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.99 135.51 54.85 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.838 0.828 . . . . 0.0 109.415 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.96 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.08 123.23 45.12 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.236 -174.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 47' ' ' GLY . 1.3 pt -75.86 124.3 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.392 1.091 . . . . 0.0 111.742 168.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 mm -122.96 130.33 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.632 -174.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.27 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.467 1.105 . . . . 0.0 110.861 173.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -54.31 133.88 58.13 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.91 2.407 . . . . 0.0 111.319 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.53 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -70.44 -33.63 71.53 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.01 0.823 . . . . 0.0 109.558 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.88 168.18 27.8 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.639 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.44 139.34 46.67 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.48 -1.691 . . . . 0.0 106.972 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -106.74 124.16 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.5 156.5 42.54 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.8 142.84 56.07 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.379 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 89.0 t -94.29 98.31 2.86 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -60.99 -31.99 91.92 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.765 2.179 . . . . 0.0 117.765 -167.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -91.1 8.59 34.82 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.207 -164.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.09 119.68 72.74 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -56.96 -19.83 34.0 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.42 -173.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 78.7 p -65.56 -34.67 78.79 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.411 0.55 . . . . 0.0 110.035 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.49 13.04 64.85 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.528 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -120.99 17.1 11.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 86.6 t -97.08 133.45 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . 0.882 ' HB2' ' CE1' ' C' ' 107' ' ' PHE . 10.1 m-85 -125.0 151.77 45.1 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.468 1.73 . . . . 0.0 110.44 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 p -127.03 135.39 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 57.8 tp -95.48 108.06 20.27 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -109.21 125.23 52.02 Favored 'General case' 0 CA--C 1.486 -1.509 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -171.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -84.89 115.68 22.9 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.136 0.898 . . . . 0.0 109.153 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . 0.457 ' HA ' ' HB2' ' B' ' 49' ' ' GLN . 13.0 mtmt -63.38 -25.18 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.412 -169.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.26 115.21 28.96 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . 0.49 ' HA2' ' HB2' ' B' ' 72' ' ' ARG . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.34 8.94 33.65 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.034 -0.686 . . . . 0.0 110.55 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -70.63 129.19 38.51 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.622 -165.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.01 141.78 46.28 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.946 175.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mt -124.56 126.24 45.49 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -100.86 143.67 30.74 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.329 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . 0.992 ' CD1' ' C ' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -137.09 156.72 48.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.307 178.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 26.7 p-90 -131.5 126.57 35.29 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.408 175.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.63 137.75 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.238 -174.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -118.84 3.97 11.54 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.268 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.28 135.92 93.85 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.129 1.442 . . . . 0.0 108.623 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.29 -41.34 42.69 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.444 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -96.12 146.93 24.25 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.513 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 14.9 t -83.41 -9.26 59.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.216 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.23 5.8 37.82 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -174.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -56.84 -48.83 77.15 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.307 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -69.77 -32.28 70.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.582 -173.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.25 -44.09 80.3 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.901 0.381 . . . . 0.0 110.909 175.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -55.6 -45.91 77.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.025 -1.047 . . . . 0.0 112.264 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' C' ' 122' ' ' ARG . 0.5 OUTLIER -60.53 -43.12 97.48 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.695 0.76 . . . . 0.0 110.348 178.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' C' ' 121' ' ' CYS . 0.0 OUTLIER -61.89 -43.45 98.82 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.117 -179.43 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -42.37 96.58 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 69.3 t -52.27 -51.87 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.478 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.37 -39.53 87.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.33 -45.93 82.31 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.453 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -79.06 -24.51 43.51 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.445 -0.902 . . . . 0.0 112.381 -174.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -36.15 42.0 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.796 -0.761 . . . . 0.0 112.278 174.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.73 -11.12 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -168.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -141.17 71.87 27.4 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -82.32 168.47 14.85 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.591 1.527 . . . . 0.0 111.66 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo . . . . . 0 C--N 1.288 -2.624 0 C-N-CA 122.437 2.092 . . . . 0.0 111.568 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 mmt . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -91.18 138.21 31.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 126.812 2.57 . . . . 0.0 108.795 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.23 162.97 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 173.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 1.005 ' O ' HD11 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -115.93 140.22 49.47 Favored 'General case' 0 N--CA 1.513 2.698 1 O-C-N 130.643 4.964 . . . . 0.0 108.779 179.606 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.836 ' HA ' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -118.15 114.25 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.562 175.829 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.23 127.52 41.35 Favored 'General case' 0 N--CA 1.505 2.323 1 O-C-N 129.36 4.162 . . . . 0.0 107.928 -178.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -99.54 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.35 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.8 mt -73.33 -7.02 49.84 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.049 0.843 . . . . 0.0 112.722 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.52 15.02 30.2 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.652 -2.419 . . . . 0.0 112.003 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.68 80.21 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.305 -1.497 . . . . 0.0 116.161 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.48 138.1 34.57 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.89 131.66 55.31 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 126.727 2.517 . . . . 0.0 105.943 176.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.54 141.92 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 127.615 3.072 . . . . 0.0 108.865 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.8 m -101.4 139.7 36.71 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 117.214 -1.794 . . . . 0.0 108.2 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.43 153.99 44.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 115.418 -2.229 . . . . 0.0 108.332 -179.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -111.82 120.97 43.79 Favored 'General case' 0 N--CA 1.499 2.012 1 O-C-N 129.179 4.05 . . . . 0.0 103.685 173.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.9 170.62 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.312 0 O-C-N 127.513 3.008 . . . . 0.0 111.201 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.0 144.49 37.67 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 112.356 -2.202 . . . . 0.0 106.349 174.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -55.02 -24.36 39.54 Favored 'Trans proline' 0 C--N 1.322 -0.838 0 C-N-CA 122.497 2.131 . . . . 0.0 111.935 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -8.33 59.24 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.872 -177.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.0 148.37 47.7 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 117.474 -1.69 . . . . 0.0 109.808 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -83.69 160.53 21.29 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm -61.43 -37.13 77.02 Favored 'Isoleucine or valine' 0 C--O 1.245 0.844 0 O-C-N 127.209 2.818 . . . . 0.0 110.263 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.61 -40.16 78.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.336 -0.852 . . . . 0.0 110.788 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.29 -41.9 80.29 Favored 'General case' 0 C--O 1.262 1.729 0 O-C-N 121.919 -0.488 . . . . 0.0 110.947 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.14 -46.45 88.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.856 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 22.5 mttm -60.88 -37.83 83.53 Favored 'General case' 0 C--O 1.26 1.611 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.689 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.503 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.19 -38.13 87.27 Favored 'General case' 0 C--O 1.277 2.542 0 CA-C-N 118.207 0.458 . . . . 0.0 111.091 176.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.12 -37.55 87.84 Favored 'General case' 0 C--O 1.254 1.31 0 O-C-N 120.486 -1.383 . . . . 0.0 110.599 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.96 -39.5 77.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.139 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.913 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 2.2 mm-40 -62.17 -48.81 78.43 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 125.574 2.606 . . . . 0.0 109.053 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.24 -41.69 65.69 Favored 'General case' 0 C--O 1.253 1.238 0 CA-C-N 113.463 -1.699 . . . . 0.0 111.915 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 14.3 tptp -93.65 -24.2 17.97 Favored 'General case' 0 C--O 1.281 2.75 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.47 -6.45 8.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 123.148 2.704 . . . . 0.0 114.19 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.77 89.93 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.94 2.336 . . . . 0.0 118.94 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.913 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 19.5 mm -79.86 124.8 83.11 Favored Pre-proline 0 C--O 1.243 0.759 0 C-N-CA 118.866 -1.134 . . . . 0.0 110.899 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.579 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 79.9 Cg_exo -56.95 136.77 78.59 Favored 'Trans proline' 0 C--O 1.259 1.552 0 C-N-CA 123.351 2.7 . . . . 0.0 110.862 178.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.834 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 32.5 Cg_exo -57.15 -31.83 91.62 Favored 'Trans proline' 0 C--O 1.262 1.712 0 O-C-N 122.951 0.974 . . . . 0.0 113.749 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.59 -15.36 63.51 Favored 'General case' 0 C--O 1.261 1.664 0 O-C-N 119.863 -1.773 . . . . 0.0 112.213 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -95.97 -10.22 29.18 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 120.714 -1.242 . . . . 0.0 112.043 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.84 129.61 34.79 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 124.36 2.028 . . . . 0.0 115.706 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -121.08 116.1 24.37 Favored 'General case' 0 C--O 1.298 3.615 0 N-CA-C 104.936 -2.246 . . . . 0.0 104.936 171.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.52 130.18 50.85 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 119.501 1.046 . . . . 0.0 109.867 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -121.93 131.89 72.12 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 O-C-N 125.139 1.525 . . . . 0.0 111.94 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 0.676 ' CZ ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -144.4 129.52 18.61 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 177.572 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 46.05 19.79 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.707 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' C' ' 74' ' ' ILE . . . 61.74 21.66 61.05 Favored Glycine 0 N--CA 1.432 -1.612 0 C-N-CA 128.723 3.059 . . . . 0.0 117.462 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.02 142.74 46.22 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 177.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -85.79 130.29 34.6 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 103.778 -2.675 . . . . 0.0 103.778 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -79.39 138.11 37.53 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 117.665 -1.159 . . . . 0.0 110.174 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.8 140.07 36.58 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 125.03 1.456 . . . . 0.0 110.014 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -47.99 -42.45 27.86 Favored 'General case' 0 C--O 1.264 1.85 0 N-CA-C 120.764 3.616 . . . . 0.0 120.764 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.66 -8.99 85.29 Favored Glycine 0 CA--C 1.49 -1.494 0 N-CA-C 116.192 1.237 . . . . 0.0 116.192 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -85.44 165.23 17.35 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 119.801 -1.999 . . . . 0.0 108.027 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 20.4 p -104.32 164.87 11.43 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 176.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.54 -36.02 79.41 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -29.4 70.5 Favored 'General case' 0 C--O 1.268 2.05 0 C-N-CA 117.328 -1.749 . . . . 0.0 112.176 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.51 -39.55 70.63 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 122.501 1.143 . . . . 0.0 110.715 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -90.82 4.68 51.05 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.999 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 58.08 45.21 18.11 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 121.617 2.008 . . . . 0.0 111.187 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.1 mm -88.72 116.59 30.65 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 CA-C-O 115.143 -2.361 . . . . 0.0 106.187 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 65' ' ' SER . 0.0 OUTLIER -103.56 169.59 8.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 126.006 2.066 . . . . 0.0 109.376 -176.647 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.93 27.66 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 123.259 1.504 . . . . 0.0 109.101 -176.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 66.93 19.26 10.63 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -71.15 159.5 34.56 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.718 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.676 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . 6.4 t -119.15 126.75 52.33 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 118.168 -0.92 . . . . 0.0 108.865 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 1.005 HD11 ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -103.08 154.51 19.19 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 114.762 -2.542 . . . . 0.0 105.711 175.141 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.611 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -105.58 135.59 46.71 Favored 'General case' 0 C--N 1.287 -2.116 0 O-C-N 127.391 2.932 . . . . 0.0 105.892 177.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 tp -106.82 115.84 30.89 Favored 'General case' 0 C--O 1.285 2.922 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.446 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.2 t -108.07 139.9 28.53 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 N-CA-C 103.577 -2.749 . . . . 0.0 103.577 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -96.07 138.78 33.19 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.242 0.544 . . . . 0.0 109.806 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 . . . . . 0 C--N 1.279 -2.492 0 CA-C-O 113.153 -3.308 . . . . 0.0 105.629 178.501 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mmm . . . . . 0 CA--C 1.549 0.911 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.9 138.51 31.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 127.143 2.777 . . . . 0.0 108.741 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.14 163.01 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 CA-C-O 115.813 -2.042 . . . . 0.0 105.885 173.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.91 140.19 49.48 Favored 'General case' 0 N--CA 1.514 2.747 1 O-C-N 130.619 4.949 . . . . 0.0 108.627 179.713 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.426 ' HB ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -117.93 114.11 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-O 113.376 -3.202 . . . . 0.0 105.793 175.504 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.14 127.62 41.34 Favored 'General case' 0 N--CA 1.502 2.138 1 O-C-N 129.203 4.064 . . . . 0.0 108.19 -178.12 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.55 170.83 8.32 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.769 -1.11 . . . . 0.0 109.259 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -73.42 -6.93 49.42 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.096 0.872 . . . . 0.0 112.838 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -101.23 14.78 30.88 Favored 'General case' 0 N--CA 1.507 2.396 0 C-N-CA 115.663 -2.415 . . . . 0.0 111.997 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.75 80.05 Favored Glycine 0 C--N 1.296 -1.662 0 O-C-N 120.136 -1.603 . . . . 0.0 116.01 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.28 137.95 34.61 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 174.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.87 131.98 55.42 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 126.31 2.256 . . . . 0.0 106.203 176.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.55 141.82 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.825 3.203 . . . . 0.0 109.096 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -101.18 139.91 36.2 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 117.054 -1.858 . . . . 0.0 108.356 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.8 mt -126.59 154.11 44.36 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 115.538 -2.172 . . . . 0.0 108.348 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.86 121.22 44.47 Favored 'General case' 0 N--CA 1.496 1.874 1 O-C-N 129.271 4.107 . . . . 0.0 103.496 174.073 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.11 170.56 15.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.351 0 O-C-N 127.774 3.171 . . . . 0.0 111.271 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' B' ' 19' ' ' PRO . 8.4 pm0 -120.03 144.68 38.14 Favored Pre-proline 0 C--N 1.312 -1.052 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.288 174.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 18' ' ' GLU . 73.9 Cg_exo -55.0 -24.66 40.78 Favored 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 122.719 2.279 . . . . 0.0 111.498 177.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.6 t -79.89 -8.34 59.25 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.849 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.92 148.52 47.64 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.727 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.1 p -83.86 160.49 21.14 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 175.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.527 HG23 HD13 ' B' ' 50' ' ' LEU . 1.8 mp -61.44 -36.74 75.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 126.959 2.662 . . . . 0.0 110.336 175.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.763 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.2 -42.83 77.82 Favored 'General case' 0 C--O 1.252 1.22 0 O-C-N 120.408 -1.432 . . . . 0.0 111.009 176.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -64.47 -44.47 90.95 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 124.263 1.025 . . . . 0.0 111.44 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.66 -46.31 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 114.207 -1.36 . . . . 0.0 108.992 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.661 ' O ' HG22 ' B' ' 30' ' ' ILE . 10.5 mtmm -60.7 -38.07 83.79 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.812 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -37.94 86.76 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 123.359 0.412 . . . . 0.0 111.38 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -64.1 -37.47 87.56 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 120.429 -1.419 . . . . 0.0 110.791 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.661 HG22 ' O ' ' B' ' 27' ' ' LYS . 5.4 tp -69.66 -39.77 78.56 Favored 'Isoleucine or valine' 0 C--O 1.255 1.376 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.97 -48.82 78.65 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 125.572 2.606 . . . . 0.0 109.054 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.4 -41.8 66.34 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.852 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.4 OUTLIER -93.32 -24.36 18.15 Favored 'General case' 0 C--O 1.28 2.659 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 -175.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.72 -6.25 8.02 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 122.864 2.574 . . . . 0.0 113.688 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.63 90.01 Favored Glycine 0 CA--C 1.477 -2.318 0 N-CA-C 118.66 2.224 . . . . 0.0 118.66 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 4.2 pt -79.91 124.99 82.93 Favored Pre-proline 0 C--O 1.242 0.682 0 C-N-CA 118.719 -1.192 . . . . 0.0 111.033 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.444 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 82.9 Cg_exo -57.17 137.05 80.04 Favored 'Trans proline' 0 C--O 1.256 1.404 0 C-N-CA 122.913 2.409 . . . . 0.0 110.833 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -57.17 -32.19 92.72 Favored 'Trans proline' 0 C--O 1.261 1.666 0 O-C-N 123.023 1.012 . . . . 0.0 113.444 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -15.54 63.6 Favored 'General case' 0 C--O 1.265 1.912 0 O-C-N 120.056 -1.652 . . . . 0.0 112.189 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.739 ' HB2' ' CD1' ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.48 -10.73 28.98 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.504 -1.372 . . . . 0.0 112.177 178.432 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -84.76 129.6 34.8 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 124.274 1.988 . . . . 0.0 115.797 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -121.1 116.08 24.32 Favored 'General case' 0 C--O 1.299 3.664 0 N-CA-C 104.83 -2.285 . . . . 0.0 104.83 172.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.567 ' CB ' ' HG ' ' B' ' 50' ' ' LEU . 0.2 OUTLIER -103.52 130.26 50.88 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.501 1.046 . . . . 0.0 110.02 -177.663 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.5 mm -122.01 131.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 125.136 1.522 . . . . 0.0 111.966 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.68 ' HD2' ' O ' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.23 129.78 19.05 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 177.449 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 46.01 19.66 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 112.011 -2.358 . . . . 0.0 110.661 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 20.29 59.44 Favored Glycine 0 C--N 1.298 -1.581 0 C-N-CA 128.349 2.88 . . . . 0.0 117.349 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -109.94 143.93 39.18 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 115.307 -2.282 . . . . 0.0 110.964 174.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.443 ' HB3' ' CB ' ' C' ' 99' ' ' LYS . 3.8 pp0? -87.29 130.33 34.64 Favored 'General case' 0 C--N 1.279 -2.473 0 N-CA-C 103.95 -2.611 . . . . 0.0 103.95 173.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.823 HD11 ' O ' ' B' ' 50' ' ' LEU . 0.1 OUTLIER -79.61 138.44 37.43 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.043 -175.757 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.98 140.01 36.85 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 125.201 1.563 . . . . 0.0 109.893 -177.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.763 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.6 OUTLIER -48.22 -42.1 29.2 Favored 'General case' 0 C--O 1.261 1.7 0 N-CA-C 120.741 3.608 . . . . 0.0 120.741 -175.774 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.28 -8.37 85.37 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 115.967 1.147 . . . . 0.0 115.967 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -85.62 165.3 17.14 Favored 'General case' 0 C--O 1.25 1.13 0 O-C-N 120.124 -1.809 . . . . 0.0 108.02 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 2.3 p -104.35 164.59 11.63 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.06 -36.39 79.48 Favored 'General case' 0 C--O 1.201 -1.49 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -29.79 70.98 Favored 'General case' 0 C--O 1.266 1.922 0 C-N-CA 117.294 -1.762 . . . . 0.0 112.184 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.68 -39.01 70.39 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 122.454 1.121 . . . . 0.0 110.729 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.507 ' CG ' ' CZ ' ' B' ' 45' ' ' PHE . 79.4 m-85 -91.2 4.54 51.99 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.865 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.92 45.35 18.39 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 121.713 2.051 . . . . 0.0 111.276 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.74 116.22 30.02 Favored 'Isoleucine or valine' 0 C--O 1.269 2.087 0 CA-C-O 115.098 -2.382 . . . . 0.0 106.239 175.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -103.32 169.53 8.49 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 126.08 2.113 . . . . 0.0 109.74 -176.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 142.97 27.11 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 123.228 1.49 . . . . 0.0 109.264 -176.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.403 0 N-CA-C 117.819 2.525 . . . . 0.0 117.819 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.4 t -71.07 159.56 34.5 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.06 126.63 52.13 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 118.153 -0.927 . . . . 0.0 108.801 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.18 154.57 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.667 -2.587 . . . . 0.0 105.699 175.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -105.58 135.73 46.46 Favored 'General case' 0 C--N 1.284 -2.28 0 O-C-N 127.581 3.051 . . . . 0.0 105.773 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.542 HD22 ' HG ' ' B' ' 43' ' ' LEU . 6.6 mt -107.05 115.87 30.94 Favored 'General case' 0 C--O 1.283 2.847 0 CA-C-O 117.596 -1.193 . . . . 0.0 111.419 176.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 39.8 t -108.13 139.92 28.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 103.472 -2.788 . . . . 0.0 103.472 175.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.739 ' CD1' ' HB2' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -96.11 -83.43 0.37 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.057 0.456 . . . . 0.0 109.851 178.373 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.714 ' N ' ' HG ' ' B' ' 71' ' ' LEU . 4.3 ttp180 . . . . . 0 C--N 1.277 -2.586 0 CA-C-O 113.46 -3.162 . . . . 0.0 105.444 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.51 -0.596 0 CA-C-O 121.626 0.727 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.01 137.88 31.91 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.59 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.26 -39.57 74.88 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.653 0.739 . . . . 0.0 111.828 172.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.7 t -144.36 136.19 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.184 1.394 . . . . 0.0 107.449 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -144.47 148.03 34.04 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.528 165.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -160.98 155.21 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.32 1.013 . . . . 0.0 111.148 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -72.24 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.18 -1.373 . . . . 0.0 112.331 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.18 147.65 6.73 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.098 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.87 25.22 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -179.24 3.79 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' MET . . . . . 0.621 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.14 161.05 37.2 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' SER . . . . . 0.621 ' N ' ' HG2' ' C' ' 31' ' ' MET . 3.4 m -136.66 156.48 48.49 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.131 -1.428 . . . . 0.0 108.794 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.71 116.16 28.76 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -112.35 115.87 29.43 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.11 8.69 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.289 -1.925 . . . . 0.0 108.289 -169.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.93 14.55 18.51 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.37 -0.415 . . . . 0.0 109.99 178.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 4.4 p -112.03 122.47 47.86 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -172.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 35.4 m -76.09 120.04 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.18 119.37 26.43 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.161 -173.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.79 59.0 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.924 -0.917 . . . . 0.0 111.853 173.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.64 132.15 34.21 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 172.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -11.2 59.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.14 144.43 56.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -173.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 125.54 26.68 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 171.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.22 21.59 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.12 1.4 . . . . 0.0 115.404 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mt -128.32 124.4 36.38 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.4 t -90.96 137.62 21.34 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 164.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -152.01 157.77 42.16 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 122.043 0.925 . . . . 0.0 113.017 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.471 ' CD1' HD23 ' C' ' 128' ' ' LEU . 3.1 mm -118.77 131.09 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.325 174.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -134.04 137.61 44.81 Favored 'General case' 0 CA--C 1.492 -1.251 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -100.16 122.08 42.43 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -84.09 171.07 13.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.287 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -10.36 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.651 -0.819 . . . . 0.0 113.187 -170.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.71 7.36 15.13 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.316 -0.154 . . . . 0.0 110.948 170.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 29.4 t 73.86 -1.31 3.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.399 1.48 . . . . 0.0 114.695 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.91 149.94 39.29 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 119.24 -0.984 . . . . 0.0 113.11 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.21 129.1 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.418 ' O ' HD13 ' C' ' 49' ' ' ILE . 8.4 m-70 -117.65 125.36 50.59 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -176.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -98.88 119.02 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 171.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 93.1 m -127.7 156.78 41.83 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -130.43 128.35 41.14 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.523 -1.671 . . . . 0.0 108.728 169.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -120.69 134.33 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 113.993 -1.458 . . . . 0.0 109.801 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -74.26 115.32 13.63 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -32.38 73.9 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -176.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -46.17 55.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 32.5 t -91.36 -20.58 21.68 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.582 -176.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.67 2.65 61.11 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-O 119.711 -0.494 . . . . 0.0 113.722 -171.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.645 1.223 . . . . 0.0 113.195 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 34.5 t -84.17 109.1 17.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -94.55 -28.83 15.21 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.898 -171.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -121.97 135.57 54.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.808 0.813 . . . . 0.0 109.389 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -155.01 103.32 2.39 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.543 -2.391 . . . . 0.0 104.543 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.08 123.24 45.14 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.38 -1.282 . . . . 0.0 109.242 -174.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . 0.46 ' O ' ' O ' ' A' ' 47' ' ' GLY . 5.0 pt -75.84 124.35 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.374 1.083 . . . . 0.0 111.714 168.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 2.0 pp -122.99 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.415 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.645 -174.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.33 158.97 30.78 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.334 1.021 . . . . 0.0 110.826 173.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.31 133.88 58.13 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.91 2.407 . . . . 0.0 111.319 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.48 6.86 5.92 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 -175.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -33.66 71.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 119.061 0.846 . . . . 0.0 109.576 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 6.4 p -154.9 168.16 27.87 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.481 -1.288 . . . . 0.0 113.639 -173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -133.41 139.38 46.73 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 113.441 -1.709 . . . . 0.0 107.026 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -106.74 124.16 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.55 156.41 42.41 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -67.69 142.83 56.21 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.416 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 35.8 t -94.31 98.33 2.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 171.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -61.05 -31.87 91.37 Favored 'Trans proline' 0 N--CA 1.476 0.478 0 N-CA-C 117.786 2.187 . . . . 0.0 117.786 -167.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -91.08 8.6 34.7 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.929 -1.509 . . . . 0.0 112.273 -164.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 5.9 m -85.08 119.69 72.76 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.89 -19.92 33.94 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.408 -173.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 14.6 p -65.56 -34.63 78.7 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.421 0.555 . . . . 0.0 110.062 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.49 13.02 64.82 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.528 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -120.97 17.03 11.74 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 52.7 t -96.91 133.46 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -125.0 151.81 45.05 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.517 1.761 . . . . 0.0 110.388 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.08 135.27 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 57.9 tp -95.36 108.1 20.26 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 169.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -109.1 125.17 51.86 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 -171.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -84.84 115.76 22.92 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.058 0.849 . . . . 0.0 109.148 176.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . 0.443 ' CB ' ' HB3' ' B' ' 49' ' ' GLN . 2.1 pttp -63.54 -25.1 68.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.344 -169.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . 0.437 ' CB ' ' HE2' ' A' ' 68' ' ' HIS . . . -111.31 115.13 28.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 173.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.9 172.35 27.71 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -172.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.34 9.0 33.36 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.026 -0.69 . . . . 0.0 110.523 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -70.63 129.22 38.6 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.622 -165.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.15 141.74 46.0 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.854 175.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.4 mp -124.45 126.17 45.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -100.86 143.68 30.72 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.329 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -137.12 156.68 48.07 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.262 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -131.43 126.55 35.38 Favored 'General case' 0 N--CA 1.418 -2.035 0 C-N-CA 119.516 -0.874 . . . . 0.0 110.446 175.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -62.64 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.278 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.88 4.01 11.51 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.629 -1.168 . . . . 0.0 110.256 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.26 135.83 93.79 Favored Pre-proline 0 C--O 1.264 1.838 0 CA-C-O 123.154 1.454 . . . . 0.0 108.717 172.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.19 -41.34 43.47 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.568 -1.154 . . . . 0.0 112.482 -174.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.15 146.95 24.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 13.9 p -83.48 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.125 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -33.78 56.28 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.403 0.681 . . . . 0.0 112.767 -169.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.28 5.88 37.73 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -174.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.96 -1.096 . . . . 0.0 110.307 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.87 -32.2 70.45 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.543 -173.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.33 -44.04 80.1 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 175.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -55.61 -45.86 77.44 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.025 -1.047 . . . . 0.0 112.27 173.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 13.9 t -60.59 -43.07 97.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 121.695 0.76 . . . . 0.0 110.323 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -43.35 99.03 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.101 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -64.29 -42.29 96.48 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . 0.416 ' O ' ' HG ' ' C' ' 128' ' ' LEU . 55.4 t -52.36 -51.86 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.383 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.4 -39.49 87.53 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.27 -45.96 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.502 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -79.07 -24.44 43.52 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.38 -174.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.645 ' N ' HD21 ' C' ' 128' ' ' LEU . 0.3 OUTLIER -79.08 -36.06 41.4 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.751 -0.78 . . . . 0.0 112.273 174.515 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -110.8 -11.05 14.42 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -168.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -141.17 71.8 27.44 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 169.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -77.77 170.94 18.21 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 121.522 1.482 . . . . 0.0 111.642 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo . . . . . 0 C--N 1.29 -2.526 0 C-N-CA 122.372 2.048 . . . . 0.0 111.602 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.02 138.18 31.8 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 126.827 2.58 . . . . 0.0 108.943 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -131.25 162.97 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.37 0 CA-C-O 115.916 -1.992 . . . . 0.0 105.633 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -115.91 140.16 49.52 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.563 4.914 . . . . 0.0 108.785 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.9 t -118.03 114.16 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.632 175.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -95.17 127.59 41.34 Favored 'General case' 0 N--CA 1.506 2.328 1 O-C-N 129.374 4.171 . . . . 0.0 107.839 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.62 170.8 8.33 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.375 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -7.01 49.85 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 124.105 0.878 . . . . 0.0 112.638 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.7 p -101.49 15.08 29.99 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.695 -2.402 . . . . 0.0 111.983 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 16.73 80.24 Favored Glycine 0 C--N 1.297 -1.603 0 O-C-N 120.235 -1.54 . . . . 0.0 116.162 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.5 138.09 34.6 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 175.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -119.96 131.64 55.25 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 126.652 2.47 . . . . 0.0 105.952 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.9 mm -109.57 141.9 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 127.623 3.077 . . . . 0.0 108.891 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -101.33 139.63 36.74 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 117.231 -1.788 . . . . 0.0 108.193 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -126.43 154.04 44.2 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.336 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -111.89 121.08 44.07 Favored 'General case' 0 N--CA 1.499 2.024 1 O-C-N 129.275 4.11 . . . . 0.0 103.627 173.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.8 m -138.95 170.6 15.99 Favored 'Isoleucine or valine' 0 C--O 1.255 1.365 0 O-C-N 127.565 3.041 . . . . 0.0 111.286 -177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -119.95 144.31 37.2 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 112.373 -2.194 . . . . 0.0 106.41 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -54.9 -24.34 38.51 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.553 2.169 . . . . 0.0 111.949 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.02 -8.08 59.17 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.967 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.05 148.39 47.6 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 117.435 -1.706 . . . . 0.0 109.813 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.76 160.52 21.23 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 175.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.9 mm -61.49 -37.13 77.08 Favored 'Isoleucine or valine' 0 C--O 1.246 0.903 0 O-C-N 127.157 2.785 . . . . 0.0 110.241 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -40.17 77.85 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.312 -0.868 . . . . 0.0 110.825 176.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.32 -41.91 80.12 Favored 'General case' 0 C--O 1.261 1.702 0 O-C-N 121.896 -0.502 . . . . 0.0 110.949 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.24 -46.44 88.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 124.428 1.08 . . . . 0.0 109.17 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -60.77 -37.95 83.6 Favored 'General case' 0 C--O 1.259 1.557 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.764 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.03 86.94 Favored 'General case' 0 C--O 1.278 2.575 0 CA-C-N 118.043 0.383 . . . . 0.0 111.163 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -37.61 88.06 Favored 'General case' 0 C--O 1.254 1.342 0 CA-C-O 123.072 1.415 . . . . 0.0 110.699 176.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.6 mt -70.02 -39.35 77.24 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.32 -48.76 78.4 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 125.488 2.566 . . . . 0.0 109.039 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.17 -41.78 65.55 Favored 'General case' 0 C--O 1.253 1.243 0 CA-C-N 113.515 -1.675 . . . . 0.0 111.954 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 34.9 tttt -93.61 -24.27 17.98 Favored 'General case' 0 C--O 1.281 2.73 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 -175.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -123.4 -6.42 8.19 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.103 2.683 . . . . 0.0 114.243 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.7 89.97 Favored Glycine 0 CA--C 1.479 -2.208 0 N-CA-C 118.978 2.351 . . . . 0.0 118.978 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.73 124.78 83.35 Favored Pre-proline 0 C--O 1.245 0.854 0 C-N-CA 118.842 -1.143 . . . . 0.0 110.947 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -56.97 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.561 0 C-N-CA 123.344 2.696 . . . . 0.0 110.774 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -57.2 -31.96 92.12 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 122.911 0.953 . . . . 0.0 113.645 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -15.26 63.47 Favored 'General case' 0 C--O 1.261 1.691 0 O-C-N 119.811 -1.806 . . . . 0.0 112.195 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -96.03 -10.23 29.0 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 120.68 -1.262 . . . . 0.0 112.004 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -84.86 129.6 34.79 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 124.389 2.042 . . . . 0.0 115.749 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 116.13 24.44 Favored 'General case' 0 C--O 1.299 3.672 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 171.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -103.6 130.18 50.99 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.515 1.052 . . . . 0.0 109.922 -177.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.02 131.88 72.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 O-C-N 125.154 1.534 . . . . 0.0 111.805 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -144.47 129.49 18.52 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.16 19.6 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 112.198 -2.274 . . . . 0.0 110.765 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.63 21.71 60.86 Favored Glycine 0 N--CA 1.433 -1.536 0 C-N-CA 128.66 3.029 . . . . 0.0 117.465 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -115.04 142.73 46.24 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -85.87 130.31 34.59 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mp -79.55 138.12 37.39 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 117.708 -1.139 . . . . 0.0 110.146 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -101.67 140.07 36.46 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 125.071 1.482 . . . . 0.0 109.965 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.94 -42.55 27.71 Favored 'General case' 0 C--O 1.264 1.847 0 N-CA-C 120.732 3.604 . . . . 0.0 120.732 -175.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.69 -8.8 85.52 Favored Glycine 0 CA--C 1.49 -1.525 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.48 165.27 17.29 Favored 'General case' 0 C--O 1.251 1.164 0 O-C-N 119.837 -1.978 . . . . 0.0 108.1 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.6 p -104.37 164.95 11.38 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 176.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -35.92 79.42 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -29.39 70.49 Favored 'General case' 0 C--O 1.267 1.977 0 C-N-CA 117.322 -1.751 . . . . 0.0 112.219 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.61 -39.43 70.78 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 122.421 1.105 . . . . 0.0 110.753 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -90.85 4.69 51.09 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.721 -1.133 . . . . 0.0 113.028 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.09 45.16 18.16 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.607 2.003 . . . . 0.0 111.229 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.1 mt -88.74 116.5 30.5 Favored 'Isoleucine or valine' 0 C--O 1.265 1.89 0 CA-C-O 115.162 -2.351 . . . . 0.0 106.183 175.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -103.52 169.72 8.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 126.15 2.156 . . . . 0.0 109.363 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 pttp -54.92 142.87 28.04 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 123.262 1.506 . . . . 0.0 109.108 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 67.01 19.29 10.57 Favored 'General case' 0 C--O 1.254 1.308 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.21 159.59 34.37 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.1 126.75 52.36 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 118.093 -0.955 . . . . 0.0 108.855 175.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' ' 43' ' ' LEU . 4.4 tt -103.11 154.56 19.15 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 114.755 -2.545 . . . . 0.0 105.647 175.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -105.68 135.71 46.61 Favored 'General case' 0 C--N 1.287 -2.132 0 O-C-N 127.382 2.926 . . . . 0.0 105.812 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -106.9 115.82 30.84 Favored 'General case' 0 C--O 1.285 2.967 0 CA-C-O 117.651 -1.166 . . . . 0.0 111.43 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -108.04 139.86 28.62 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 N-CA-C 103.59 -2.745 . . . . 0.0 103.59 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mp -96.06 138.91 33.01 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 121.302 0.572 . . . . 0.0 109.793 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 . . . . . 0 C--N 1.279 -2.485 0 CA-C-O 113.215 -3.279 . . . . 0.0 105.551 178.609 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptt? . . . . . 0 CA--C 1.548 0.866 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -90.88 138.39 31.63 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 127.101 2.751 . . . . 0.0 108.898 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 pt -131.14 163.13 37.83 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-O 115.782 -2.056 . . . . 0.0 105.89 173.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -116.04 140.15 49.56 Favored 'General case' 0 N--CA 1.515 2.791 1 O-C-N 130.653 4.971 . . . . 0.0 108.585 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.515 ' HA ' HD23 ' B' ' 67' ' ' LEU . 0.1 OUTLIER -117.92 114.09 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-O 113.432 -3.175 . . . . 0.0 105.823 175.512 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -95.12 127.62 41.32 Favored 'General case' 0 N--CA 1.503 2.19 1 O-C-N 129.164 4.04 . . . . 0.0 108.107 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.9 p -99.6 170.84 8.3 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 117.846 -1.073 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.31 -7.09 50.11 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.976 0.797 . . . . 0.0 112.833 -178.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -101.23 14.83 30.72 Favored 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 115.642 -2.423 . . . . 0.0 112.034 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.58 16.52 80.14 Favored Glycine 0 C--N 1.298 -1.569 0 O-C-N 120.121 -1.612 . . . . 0.0 116.005 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -96.22 137.9 34.62 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 174.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -119.9 131.86 55.37 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 126.413 2.321 . . . . 0.0 106.263 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -109.46 141.77 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 127.702 3.127 . . . . 0.0 109.156 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.5 p -101.11 139.92 36.12 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 117.014 -1.874 . . . . 0.0 108.434 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.6 154.04 44.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 115.48 -2.2 . . . . 0.0 108.305 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.8 121.14 44.26 Favored 'General case' 0 N--CA 1.495 1.812 1 O-C-N 129.341 4.15 . . . . 0.0 103.52 174.086 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.06 170.57 15.92 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 O-C-N 127.841 3.213 . . . . 0.0 111.29 -177.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -119.98 144.65 38.0 Favored Pre-proline 0 C--N 1.313 -0.987 0 CA-C-N 112.14 -2.3 . . . . 0.0 106.349 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -54.93 -24.69 40.39 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 C-N-CA 122.72 2.28 . . . . 0.0 111.531 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -79.94 -8.15 59.17 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.943 -177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.04 148.47 47.53 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.336 -1.745 . . . . 0.0 109.761 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.81 160.47 21.19 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 175.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.432 HD12 HD12 ' B' ' 50' ' ' LEU . 8.4 mm -61.38 -36.88 75.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 127.0 2.688 . . . . 0.0 110.367 175.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.07 -42.97 77.5 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 120.399 -1.438 . . . . 0.0 111.018 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -64.37 -44.58 90.94 Favored 'General case' 0 C--O 1.25 1.124 0 C-N-CA 124.246 1.018 . . . . 0.0 111.471 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 t -58.56 -46.35 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.314 -1.312 . . . . 0.0 108.956 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -60.66 -38.04 83.55 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.848 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.96 86.55 Favored 'General case' 0 C--O 1.277 2.515 0 O-C-N 123.451 0.47 . . . . 0.0 111.345 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -64.03 -37.4 87.3 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 120.51 -1.369 . . . . 0.0 110.888 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.5 mt -69.73 -39.76 78.39 Favored 'Isoleucine or valine' 0 C--O 1.254 1.3 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -61.94 -48.8 78.77 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 125.534 2.588 . . . . 0.0 109.045 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -41.84 66.3 Favored 'General case' 0 C--O 1.257 1.499 0 CA-C-N 113.651 -1.613 . . . . 0.0 111.887 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.326 1.8 tppp? -93.29 -24.45 18.14 Favored 'General case' 0 C--O 1.279 2.647 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.58 -6.31 8.09 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 122.886 2.585 . . . . 0.0 113.789 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.66 90.0 Favored Glycine 0 CA--C 1.477 -2.287 0 N-CA-C 118.762 2.265 . . . . 0.0 118.762 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.441 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 63.7 mt -79.96 124.97 82.84 Favored Pre-proline 0 C--O 1.243 0.727 0 C-N-CA 118.695 -1.202 . . . . 0.0 111.011 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.4 Cg_exo -57.08 136.9 79.36 Favored 'Trans proline' 0 C--O 1.256 1.407 0 C-N-CA 123.015 2.476 . . . . 0.0 110.924 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.19 -32.14 92.64 Favored 'Trans proline' 0 C--O 1.261 1.661 0 O-C-N 123.028 1.015 . . . . 0.0 113.453 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -68.29 -15.63 63.64 Favored 'General case' 0 C--O 1.266 1.945 0 O-C-N 119.906 -1.746 . . . . 0.0 112.13 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.658 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 11.7 mm100 -95.42 -10.69 29.21 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 120.447 -1.408 . . . . 0.0 112.286 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -84.79 129.68 34.78 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 124.252 1.977 . . . . 0.0 115.728 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -121.21 116.09 24.26 Favored 'General case' 0 C--O 1.299 3.697 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 172.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.57 130.28 50.97 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 119.533 1.06 . . . . 0.0 110.003 -177.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.639 ' C ' ' CD1' ' B' ' 45' ' ' PHE . 2.3 mt -122.09 131.64 72.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 O-C-N 125.14 1.525 . . . . 0.0 112.003 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 1.003 ' O ' ' OH ' ' B' ' 59' ' ' TYR . 0.0 OUTLIER -144.24 129.82 19.07 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 177.504 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.95 19.56 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 111.967 -2.379 . . . . 0.0 110.649 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.9 20.25 59.71 Favored Glycine 0 C--N 1.3 -1.462 0 C-N-CA 128.207 2.813 . . . . 0.0 117.32 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' B' ' 59' ' ' TYR . 7.7 mtp180 -109.96 143.77 39.45 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 115.344 -2.265 . . . . 0.0 110.96 174.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.14 130.32 34.57 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 103.991 -2.596 . . . . 0.0 103.991 173.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.441 ' CD2' ' CD1' ' B' ' 45' ' ' PHE . 1.1 mm? -79.62 138.48 37.43 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 117.674 -1.155 . . . . 0.0 110.068 -175.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -101.91 139.99 36.8 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 125.18 1.55 . . . . 0.0 109.957 -177.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.412 ' HA ' HG22 ' B' ' 23' ' ' ILE . 0.5 OUTLIER -48.32 -41.97 29.82 Favored 'General case' 0 C--O 1.263 1.768 0 N-CA-C 120.738 3.607 . . . . 0.0 120.738 -175.704 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.24 -8.52 85.23 Favored Glycine 0 CA--C 1.492 -1.353 0 N-CA-C 116.025 1.17 . . . . 0.0 116.025 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -85.65 165.35 17.08 Favored 'General case' 0 C--O 1.25 1.089 0 O-C-N 120.12 -1.812 . . . . 0.0 107.95 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 34.8 p -104.44 164.57 11.65 Favored 'General case' 0 C--N 1.313 -1.022 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 177.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -36.3 79.53 Favored 'General case' 0 C--O 1.201 -1.471 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.3 m -63.68 -29.76 70.94 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.234 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.63 -39.08 70.35 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.518 1.151 . . . . 0.0 110.817 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 1.003 ' OH ' ' O ' ' B' ' 45' ' ' PHE . 14.5 t80 -91.06 4.51 51.93 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.876 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.92 45.38 18.34 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.759 2.072 . . . . 0.0 111.303 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.4 mt -88.78 116.24 30.07 Favored 'Isoleucine or valine' 0 C--O 1.271 2.196 0 CA-C-O 115.054 -2.403 . . . . 0.0 106.305 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.32 169.62 8.44 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 126.152 2.158 . . . . 0.0 109.759 -176.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 123.106 1.431 . . . . 0.0 109.217 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 66.94 19.17 10.63 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 174.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.4 t -118.94 126.62 52.19 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 118.189 -0.91 . . . . 0.0 108.829 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -103.15 154.54 19.2 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 114.719 -2.562 . . . . 0.0 105.767 174.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -105.52 135.79 46.27 Favored 'General case' 0 C--N 1.283 -2.308 0 O-C-N 127.525 3.016 . . . . 0.0 105.734 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -107.18 115.78 30.77 Favored 'General case' 0 C--O 1.283 2.816 0 CA-C-O 117.639 -1.172 . . . . 0.0 111.42 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t -108.02 139.88 28.51 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 103.506 -2.776 . . . . 0.0 103.506 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.658 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.44 0.37 Allowed 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.079 0.466 . . . . 0.0 109.834 178.367 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.277 -2.546 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.48 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.589 0.709 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -89.09 137.88 31.92 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.535 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 75.3 mt -70.19 -39.59 75.12 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.646 0.736 . . . . 0.0 111.873 172.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 39.0 t -144.3 136.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 125.197 1.399 . . . . 0.0 107.464 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.37 148.06 34.22 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.59 165.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -161.06 155.18 22.74 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.248 0.968 . . . . 0.0 111.242 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.21 127.81 33.72 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.316 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.22 147.71 6.69 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.048 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.83 25.08 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.276 -1.929 . . . . 0.0 108.276 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.07 -179.25 3.8 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' MET . . . . . 0.761 ' HG2' ' HB3' ' C' ' 106' ' ' PHE . 0.0 OUTLIER -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' SER . . . . . 0.508 ' N ' ' SD ' ' C' ' 31' ' ' MET . 26.0 t -136.64 156.57 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.108 -1.437 . . . . 0.0 108.781 177.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.78 116.1 28.72 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -112.28 115.82 29.39 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 172.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.32 -116.05 8.61 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 11.6 t -113.97 14.52 18.46 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.378 -0.411 . . . . 0.0 109.958 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -112.01 122.51 47.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -172.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 35.2 m -76.14 119.97 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 54.5 m -124.14 119.37 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.161 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.86 134.79 59.21 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 117.959 -0.894 . . . . 0.0 111.855 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -85.81 132.21 34.16 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 172.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -11.3 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -172.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 144.39 56.16 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 171.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . 0.451 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.29 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.299 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -128.41 124.38 36.15 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 65.9 t -91.03 137.59 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 164.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -151.94 157.85 42.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.918 0.866 . . . . 0.0 113.041 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 55.3 mt -118.8 131.05 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 113.577 -1.647 . . . . 0.0 108.341 174.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -133.98 137.6 44.9 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.348 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -100.23 122.01 42.37 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 170.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 67.8 p -84.01 171.17 13.2 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.268 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -71.58 -10.44 59.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.677 -0.809 . . . . 0.0 113.165 -170.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.85 -1.35 3.09 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.419 1.487 . . . . 0.0 114.671 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mp -74.83 149.9 39.46 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.124 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 4.1 mm -102.21 129.02 54.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.6 m170 -117.56 125.34 50.64 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -176.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -98.75 118.96 36.67 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 171.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 29.8 m -127.71 156.92 41.63 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.55 128.21 40.65 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.554 -1.657 . . . . 0.0 108.715 169.371 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -120.59 134.27 55.3 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.805 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.18 115.3 13.52 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 173.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -64.03 -32.39 73.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 80.8 p -72.53 -46.1 56.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 1.3 p -91.49 -20.48 21.69 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.597 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.74 60.89 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.723 -171.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -72.48 129.99 39.62 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.17 109.16 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.51 -28.83 15.24 Favored 'General case' 0 C--O 1.206 -1.236 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.984 -171.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -122.02 135.53 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.838 0.828 . . . . 0.0 109.386 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.97 103.3 2.39 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.02 123.25 45.23 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.259 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mt -75.87 124.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.391 1.091 . . . . 0.0 111.661 168.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 47.5 mm -122.97 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.381 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.607 -174.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -101.29 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 124.36 1.038 . . . . 0.0 110.861 173.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.33 133.91 58.37 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.861 2.374 . . . . 0.0 111.371 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.57 6.72 5.85 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -175.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -70.29 -33.7 71.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 119.008 0.822 . . . . 0.0 109.617 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -154.87 168.14 27.9 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.477 -1.289 . . . . 0.0 113.601 -173.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -133.41 139.34 46.7 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.468 -1.696 . . . . 0.0 106.998 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -106.79 124.17 49.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.51 156.53 42.57 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -177.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -67.85 142.9 55.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.01 -0.995 . . . . 0.0 108.408 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . 0.658 ' HB ' HG21 ' C' ' 93' ' ' VAL . 2.6 t -94.33 98.39 2.93 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -61.0 -32.0 91.87 Favored 'Trans proline' 0 N--CA 1.476 0.45 0 N-CA-C 117.796 2.191 . . . . 0.0 117.796 -167.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -91.09 8.61 34.67 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.207 -164.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.07 119.6 72.66 Favored Pre-proline 0 CA--C 1.516 -0.351 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.92 -19.91 34.07 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.033 1.018 . . . . 0.0 114.425 -173.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -34.66 78.8 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.399 0.545 . . . . 0.0 110.06 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.51 13.0 64.84 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.529 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -121.0 17.11 11.71 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . 0.658 HG21 ' HB ' ' C' ' 85' ' ' VAL . 24.7 m -97.07 133.43 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 173.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -125.06 151.77 45.21 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 125.552 1.783 . . . . 0.0 110.43 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.93 135.4 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.52 108.08 20.29 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -109.21 125.11 51.88 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -171.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -84.74 115.7 22.84 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.066 0.854 . . . . 0.0 109.199 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -25.16 68.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.353 -169.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.34 115.18 28.86 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 173.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.89 172.41 27.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 -172.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 102' ' ' SER . . . . . 0.416 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 0.1 OUTLIER -91.42 9.06 33.31 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.042 -0.681 . . . . 0.0 110.562 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 tppm? -70.7 129.17 38.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 117.928 -1.509 . . . . 0.0 110.496 -165.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.8 46.19 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.94 175.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 61.5 mt -124.51 126.12 45.33 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 171.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . 0.761 ' HB3' ' HG2' ' C' ' 31' ' ' MET . 0.1 OUTLIER -100.83 143.67 30.7 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 124.674 1.234 . . . . 0.0 110.289 -177.515 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . 0.49 ' N ' ' CD1' ' C' ' 106' ' ' PHE . 82.4 m-85 -137.09 156.68 48.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.262 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 17.4 t90 -131.43 126.55 35.41 Favored 'General case' 0 N--CA 1.419 -1.993 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.389 175.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 15.1 mmt -62.66 137.82 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.278 -174.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -118.91 3.96 11.5 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.216 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.31 135.86 93.87 Favored Pre-proline 0 C--O 1.265 1.913 0 CA-C-O 123.058 1.408 . . . . 0.0 108.665 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.21 -41.41 42.84 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.636 -1.109 . . . . 0.0 112.426 -174.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.6 p -83.4 -9.27 59.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.231 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -53.54 -33.84 56.05 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.389 0.676 . . . . 0.0 112.797 -169.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -103.26 5.97 37.84 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -56.95 -48.8 77.47 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 118.983 -1.087 . . . . 0.0 110.212 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.87 -32.16 70.38 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 119.396 -0.922 . . . . 0.0 110.511 -173.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -67.38 -44.0 79.99 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 175.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -55.6 -45.91 77.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.025 -1.047 . . . . 0.0 112.264 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . 0.726 ' O ' ' CG1' ' C' ' 124' ' ' VAL . 0.0 OUTLIER -60.61 -43.0 97.94 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.705 0.765 . . . . 0.0 110.336 179.035 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -61.98 -43.47 98.77 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.05 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -42.37 96.66 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . 0.726 ' CG1' ' O ' ' C' ' 121' ' ' CYS . 1.4 p -52.27 -51.92 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.42 175.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -60.34 -39.47 87.21 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.29 -45.97 82.27 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.526 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -79.09 -24.42 43.47 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.35 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.497 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.04 -36.14 41.52 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.794 -0.763 . . . . 0.0 112.24 174.511 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . 0.497 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.74 -11.07 14.44 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -168.581 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -141.18 71.93 27.29 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 169.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.28 167.59 19.35 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 121.592 1.528 . . . . 0.0 111.58 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--N 1.29 -2.522 0 C-N-CA 122.497 2.131 . . . . 0.0 111.656 179.87 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mmm . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -91.12 138.21 31.77 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 126.824 2.577 . . . . 0.0 108.936 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -131.27 163.03 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.361 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.99 140.18 49.51 Favored 'General case' 0 N--CA 1.513 2.695 1 O-C-N 130.543 4.902 . . . . 0.0 108.725 179.694 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.536 ' HB ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -118.01 114.21 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-O 113.357 -3.211 . . . . 0.0 105.591 175.745 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.707 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.7 tptt -95.22 127.58 41.38 Favored 'General case' 0 N--CA 1.505 2.3 1 O-C-N 129.422 4.201 . . . . 0.0 107.932 -178.174 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -99.64 170.84 8.3 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.314 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.38 -6.99 49.78 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.057 0.848 . . . . 0.0 112.65 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -101.58 15.1 29.95 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 115.711 -2.395 . . . . 0.0 111.965 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.31 16.83 80.09 Favored Glycine 0 C--N 1.296 -1.644 0 O-C-N 120.222 -1.549 . . . . 0.0 116.033 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 138.18 34.49 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 174.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.08 131.65 55.16 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.624 2.453 . . . . 0.0 105.913 176.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.7 mm -109.57 141.91 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 127.678 3.111 . . . . 0.0 108.884 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -101.39 139.68 36.71 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 117.162 -1.815 . . . . 0.0 108.151 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mt -126.41 154.08 44.11 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 115.434 -2.222 . . . . 0.0 108.371 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -111.88 121.03 43.92 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.293 4.12 . . . . 0.0 103.63 174.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 m -138.92 170.69 15.89 Favored 'Isoleucine or valine' 0 C--O 1.255 1.382 0 O-C-N 127.529 3.018 . . . . 0.0 111.222 -177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -119.97 144.44 37.51 Favored Pre-proline 0 C--N 1.315 -0.929 0 CA-C-N 112.35 -2.204 . . . . 0.0 106.3 174.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -54.96 -24.28 38.69 Favored 'Trans proline' 0 C--N 1.322 -0.862 0 C-N-CA 122.445 2.096 . . . . 0.0 112.008 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 p -80.09 -8.07 59.2 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.905 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.05 148.44 47.55 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 117.457 -1.697 . . . . 0.0 109.835 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -83.81 160.49 21.19 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.559 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -61.45 -37.04 76.83 Favored 'Isoleucine or valine' 0 C--O 1.245 0.832 0 O-C-N 127.155 2.784 . . . . 0.0 110.253 175.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.61 -40.23 78.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.384 -0.823 . . . . 0.0 110.7 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.23 -41.98 80.44 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 121.828 -0.545 . . . . 0.0 110.96 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.18 -46.42 88.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -60.91 -37.83 83.62 Favored 'General case' 0 C--O 1.259 1.585 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.678 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.15 87.39 Favored 'General case' 0 C--O 1.277 2.502 0 CA-C-N 118.116 0.417 . . . . 0.0 111.142 176.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -64.05 -37.49 87.63 Favored 'General case' 0 C--O 1.253 1.287 0 CA-C-O 123.087 1.423 . . . . 0.0 110.721 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -39.52 77.51 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.26 -48.71 78.7 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 125.539 2.59 . . . . 0.0 109.078 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.23 -41.77 65.72 Favored 'General case' 0 C--O 1.253 1.239 0 CA-C-N 113.415 -1.72 . . . . 0.0 111.925 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 0.0 OUTLIER -93.63 -24.16 18.0 Favored 'General case' 0 C--O 1.281 2.756 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -175.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.44 -6.47 8.17 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 123.132 2.696 . . . . 0.0 114.252 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.76 89.93 Favored Glycine 0 CA--C 1.478 -2.254 0 N-CA-C 118.916 2.327 . . . . 0.0 118.916 176.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.0 mt -79.77 124.71 83.3 Favored Pre-proline 0 C--O 1.244 0.813 0 C-N-CA 118.908 -1.117 . . . . 0.0 110.936 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -56.88 136.84 78.83 Favored 'Trans proline' 0 C--O 1.257 1.468 0 C-N-CA 123.317 2.678 . . . . 0.0 110.877 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.17 -31.97 92.1 Favored 'Trans proline' 0 C--O 1.263 1.765 0 O-C-N 123.031 1.016 . . . . 0.0 113.665 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -15.4 63.53 Favored 'General case' 0 C--O 1.262 1.717 0 O-C-N 119.787 -1.821 . . . . 0.0 112.235 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.89 -10.33 29.08 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 120.639 -1.288 . . . . 0.0 112.026 178.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.85 129.61 34.79 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 124.305 2.002 . . . . 0.0 115.754 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.06 116.02 24.23 Favored 'General case' 0 C--O 1.299 3.686 0 N-CA-C 104.983 -2.229 . . . . 0.0 104.983 171.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.4 mp -103.48 130.21 50.79 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 119.504 1.047 . . . . 0.0 109.962 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.11 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.844 0 O-C-N 125.183 1.552 . . . . 0.0 111.846 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -144.36 129.52 18.66 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.18 19.42 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.283 -2.235 . . . . 0.0 110.704 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 21.8 60.83 Favored Glycine 0 N--CA 1.432 -1.578 0 C-N-CA 128.674 3.035 . . . . 0.0 117.459 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.09 142.84 46.1 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -85.9 130.22 34.61 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 103.764 -2.68 . . . . 0.0 103.764 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 4.9 mt -79.5 138.15 37.45 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 117.705 -1.14 . . . . 0.0 110.139 -175.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.68 140.08 36.46 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.087 1.492 . . . . 0.0 109.974 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.559 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 40.2 m-20 -47.97 -42.56 27.99 Favored 'General case' 0 C--O 1.264 1.819 0 N-CA-C 120.8 3.63 . . . . 0.0 120.8 -175.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.58 -8.87 85.52 Favored Glycine 0 CA--C 1.489 -1.549 0 N-CA-C 116.274 1.27 . . . . 0.0 116.274 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.458 ' O ' HG13 ' A' ' 23' ' ' ILE . 5.7 mmt-85 -85.46 165.4 17.19 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 119.735 -2.038 . . . . 0.0 107.993 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.1 p -104.5 164.86 11.45 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.64 -36.04 79.65 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.0 p -64.17 -29.38 70.5 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 117.284 -1.766 . . . . 0.0 112.182 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.57 -39.6 70.88 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 122.314 1.054 . . . . 0.0 110.59 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -90.78 4.7 50.93 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 117.704 -1.141 . . . . 0.0 112.977 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.0 45.22 18.34 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.643 2.019 . . . . 0.0 111.243 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.7 mt -88.62 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.266 1.973 0 CA-C-O 115.087 -2.387 . . . . 0.0 106.246 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.51 169.7 8.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 126.159 2.162 . . . . 0.0 109.348 -176.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -54.93 142.89 27.97 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 123.24 1.495 . . . . 0.0 109.117 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 67.18 19.06 10.4 Favored 'General case' 0 C--O 1.254 1.298 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -71.12 159.63 34.35 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.25 126.74 52.21 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 118.239 -0.886 . . . . 0.0 108.76 175.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.13 154.51 19.22 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 114.776 -2.535 . . . . 0.0 105.649 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.408 ' C ' HD13 ' A' ' 69' ' ' LEU . 1.8 m-70 -105.59 135.6 46.71 Favored 'General case' 0 C--N 1.286 -2.153 0 O-C-N 127.387 2.93 . . . . 0.0 105.918 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -106.87 115.78 30.79 Favored 'General case' 0 C--O 1.285 2.969 0 CA-C-O 117.617 -1.183 . . . . 0.0 111.445 176.701 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.1 t -108.0 139.88 28.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 103.62 -2.733 . . . . 0.0 103.62 174.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.01 138.95 32.91 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.283 0.564 . . . . 0.0 109.856 178.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.505 0 CA-C-O 113.12 -3.324 . . . . 0.0 105.611 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.98 138.51 31.55 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 127.194 2.809 . . . . 0.0 108.818 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.0 pt -131.2 163.04 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 CA-C-O 115.793 -2.051 . . . . 0.0 105.886 173.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.92 140.16 49.52 Favored 'General case' 0 N--CA 1.514 2.757 1 O-C-N 130.585 4.928 . . . . 0.0 108.611 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.453 ' HA ' ' HG ' ' B' ' 67' ' ' LEU . 0.2 OUTLIER -117.97 114.13 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-O 113.482 -3.151 . . . . 0.0 105.71 175.537 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -95.12 127.72 41.39 Favored 'General case' 0 N--CA 1.501 2.106 1 O-C-N 129.133 4.021 . . . . 0.0 108.194 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.69 170.81 8.31 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.249 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -7.05 49.98 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 124.128 0.893 . . . . 0.0 112.852 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.14 14.82 30.74 Favored 'General case' 0 N--CA 1.506 2.364 0 C-N-CA 115.685 -2.406 . . . . 0.0 112.027 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.56 80.18 Favored Glycine 0 C--N 1.295 -1.713 0 O-C-N 120.271 -1.518 . . . . 0.0 116.103 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -96.21 137.9 34.6 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.5 t -119.86 131.89 55.4 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 126.419 2.324 . . . . 0.0 106.209 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.48 141.76 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 127.777 3.173 . . . . 0.0 109.13 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -101.21 139.91 36.24 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 116.958 -1.897 . . . . 0.0 108.343 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mp -126.53 154.05 44.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 115.401 -2.238 . . . . 0.0 108.45 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -111.82 121.24 44.51 Favored 'General case' 0 N--CA 1.496 1.831 1 O-C-N 129.261 4.101 . . . . 0.0 103.542 174.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.05 170.64 15.83 Favored 'Isoleucine or valine' 0 C--O 1.253 1.267 0 O-C-N 127.79 3.181 . . . . 0.0 111.157 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -120.1 144.62 38.13 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 112.079 -2.328 . . . . 0.0 106.306 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -54.81 -24.88 40.3 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 122.742 2.295 . . . . 0.0 111.532 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -8.2 59.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.913 -177.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.09 148.5 47.41 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 117.279 -1.769 . . . . 0.0 109.758 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.8 p -83.8 160.47 21.2 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.47 -36.7 74.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 126.906 2.629 . . . . 0.0 110.398 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.768 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.14 -42.94 77.72 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 120.355 -1.466 . . . . 0.0 111.008 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -64.46 -44.47 90.98 Favored 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.215 1.006 . . . . 0.0 111.415 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.68 -46.28 90.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.894 1.371 . . . . 0.0 108.948 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -60.65 -38.05 83.56 Favored 'General case' 0 C--O 1.255 1.377 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.864 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.97 86.62 Favored 'General case' 0 C--O 1.277 2.504 0 O-C-N 123.414 0.446 . . . . 0.0 111.35 176.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -37.39 87.24 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 120.505 -1.372 . . . . 0.0 110.892 175.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 15.7 mt -69.83 -39.75 78.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.319 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -48.91 78.35 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 125.502 2.572 . . . . 0.0 108.923 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -53.38 -41.77 66.24 Favored 'General case' 0 C--O 1.256 1.428 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.853 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 0.0 OUTLIER -93.44 -24.37 18.06 Favored 'General case' 0 C--O 1.28 2.697 0 N-CA-C 117.182 2.29 . . . . 0.0 117.182 -175.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.6 -6.3 8.08 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 122.906 2.594 . . . . 0.0 113.792 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.63 90.02 Favored Glycine 0 CA--C 1.476 -2.402 0 N-CA-C 118.767 2.267 . . . . 0.0 118.767 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.444 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 26.6 mt -79.85 125.01 83.01 Favored Pre-proline 0 C--O 1.243 0.712 0 C-N-CA 118.673 -1.211 . . . . 0.0 111.04 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 79.7 Cg_exo -57.1 137.03 80.07 Favored 'Trans proline' 0 C--O 1.257 1.429 0 C-N-CA 122.952 2.435 . . . . 0.0 110.91 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.25 -32.17 92.86 Favored 'Trans proline' 0 C--O 1.26 1.618 0 O-C-N 123.09 1.047 . . . . 0.0 113.366 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -68.36 -15.49 63.58 Favored 'General case' 0 C--O 1.265 1.874 0 O-C-N 120.035 -1.665 . . . . 0.0 112.155 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -10.63 29.12 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.497 -1.377 . . . . 0.0 112.201 178.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -84.88 129.65 34.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 124.246 1.974 . . . . 0.0 115.717 -177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -121.1 116.11 24.37 Favored 'General case' 0 C--O 1.298 3.639 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 172.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 mt -103.58 130.2 50.97 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 119.474 1.034 . . . . 0.0 110.025 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.575 ' C ' ' CD1' ' B' ' 45' ' ' PHE . 0.1 OUTLIER -121.84 131.55 72.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.68 0 O-C-N 125.159 1.537 . . . . 0.0 112.109 -177.578 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.722 ' N ' ' CD1' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.17 129.78 19.11 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.426 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 45.93 19.78 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 112.068 -2.333 . . . . 0.0 110.719 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 20.26 59.55 Favored Glycine 0 C--N 1.297 -1.591 0 C-N-CA 128.352 2.882 . . . . 0.0 117.346 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -109.88 143.79 39.28 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 115.391 -2.243 . . . . 0.0 110.921 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.1 130.3 34.56 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 104.068 -2.568 . . . . 0.0 104.068 173.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.415 ' HB2' ' CE1' ' B' ' 45' ' ' PHE . 0.8 OUTLIER -79.59 138.48 37.47 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 117.54 -1.219 . . . . 0.0 110.049 -175.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -101.94 140.04 36.76 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 125.302 1.626 . . . . 0.0 109.958 -177.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.768 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.4 OUTLIER -48.31 -42.01 29.82 Favored 'General case' 0 C--O 1.261 1.708 0 N-CA-C 120.756 3.613 . . . . 0.0 120.756 -175.744 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.58 85.1 Favored Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.61 165.26 17.17 Favored 'General case' 0 C--O 1.249 1.061 0 O-C-N 120.14 -1.8 . . . . 0.0 108.006 176.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 22.1 p -104.26 164.53 11.66 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.05 -36.52 79.79 Favored 'General case' 0 C--O 1.2 -1.51 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 72.5 p -63.57 -29.78 70.98 Favored 'General case' 0 C--O 1.266 1.96 0 C-N-CA 117.257 -1.777 . . . . 0.0 112.227 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -38.91 70.24 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 122.582 1.182 . . . . 0.0 110.899 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -91.17 4.5 52.08 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.631 -1.176 . . . . 0.0 112.912 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.92 45.43 18.27 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 121.687 2.04 . . . . 0.0 111.241 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.5 mm -88.71 116.29 30.12 Favored 'Isoleucine or valine' 0 C--O 1.27 2.171 0 CA-C-O 114.979 -2.439 . . . . 0.0 106.25 175.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 126.183 2.177 . . . . 0.0 109.706 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -54.86 142.93 27.49 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 123.178 1.465 . . . . 0.0 109.315 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.07 19.03 10.54 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.871 2.545 . . . . 0.0 117.871 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 6.1 t -71.04 159.63 34.39 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.04 126.62 52.12 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 118.165 -0.921 . . . . 0.0 108.776 175.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.497 ' CB ' ' CE2' ' B' ' 45' ' ' PHE . 1.5 pp -103.24 154.54 19.24 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 114.795 -2.526 . . . . 0.0 105.715 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.401 ' O ' HG22 ' B' ' 44' ' ' ILE . 0.9 OUTLIER -105.53 135.75 46.37 Favored 'General case' 0 C--N 1.284 -2.246 0 O-C-N 127.522 3.014 . . . . 0.0 105.742 178.011 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.04 115.8 30.82 Favored 'General case' 0 C--O 1.283 2.868 0 CA-C-O 117.696 -1.145 . . . . 0.0 111.462 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.3 t -108.05 139.97 28.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 103.449 -2.797 . . . . 0.0 103.449 175.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.443 ' C ' ' CD2' ' B' ' 71' ' ' LEU . 3.3 tt -96.2 -83.49 0.37 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.404 ' HA ' ' HA2' ' C' ' 101' ' ' GLY . 9.0 ttp85 . . . . . 0 C--N 1.277 -2.577 0 CA-C-O 113.4 -3.19 . . . . 0.0 105.405 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 121.656 0.741 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.06 137.95 31.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.536 -178.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.25 -39.57 74.95 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.662 0.744 . . . . 0.0 111.885 172.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 t -144.39 136.1 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 125.164 1.386 . . . . 0.0 107.413 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -144.29 148.12 34.41 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.574 165.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -161.05 155.19 22.79 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 124.222 0.951 . . . . 0.0 111.181 173.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.23 127.8 33.69 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.336 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.17 147.77 6.78 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.07 0.938 . . . . 0.0 110.057 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.92 25.14 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -179.27 3.79 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' MET . . . . . 0.551 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.13 161.04 37.22 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' SER . . . . . 0.551 ' N ' ' HG2' ' C' ' 31' ' ' MET . 12.5 p -136.66 156.56 48.37 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.042 -1.463 . . . . 0.0 108.75 177.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 mp -92.74 116.16 28.77 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -112.37 115.8 29.31 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -113.99 14.49 18.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.903 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -111.99 122.55 48.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 35.2 m -76.14 120.03 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 59.4 m -124.05 119.31 26.6 Favored Pre-proline 0 C--O 1.245 0.846 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.216 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.89 134.9 59.76 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 CA-C-O 122.38 0.908 . . . . 0.0 111.828 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.77 132.15 34.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -11.24 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -172.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -67.12 144.44 56.08 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -173.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -68.15 125.55 26.73 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.3 171.35 21.52 Favored Glycine 0 C--N 1.317 -0.519 0 CA-C-O 123.2 1.445 . . . . 0.0 115.377 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 15.0 tp -128.44 124.37 36.06 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 175.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 45.4 t -91.03 137.52 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 164.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -151.84 157.8 42.38 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.991 0.9 . . . . 0.0 113.055 175.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 9.3 mt -118.86 131.07 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.572 -1.649 . . . . 0.0 108.327 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -134.05 137.6 44.78 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.38 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -100.18 122.06 42.42 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 170.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 14.7 p -83.97 171.08 13.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.321 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -10.37 59.66 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -170.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.71 7.43 14.95 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.283 -0.167 . . . . 0.0 111.003 170.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t 73.91 -1.35 3.09 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.387 1.475 . . . . 0.0 114.724 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.87 149.93 39.37 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 122.226 1.013 . . . . 0.0 113.082 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -102.24 129.15 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.116 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 12.3 m-70 -117.65 125.35 50.57 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -176.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -98.84 118.94 36.73 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 171.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 93.4 m -127.62 156.9 41.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -171.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -130.55 128.19 40.62 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.715 169.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -120.63 134.34 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.753 -176.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.21 115.31 13.57 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 173.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -64.01 -32.45 74.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 73.9 p -72.45 -46.17 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -175.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.46 -20.47 21.73 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.512 -176.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 2.72 60.53 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 39.5 t -84.19 109.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -94.52 -28.87 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.947 -171.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -121.94 135.6 54.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.808 0.813 . . . . 0.0 109.413 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -155.06 103.32 2.38 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 104.471 -2.418 . . . . 0.0 104.471 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.08 123.23 45.12 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.236 -174.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 23.7 pt -75.82 124.34 33.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.399 1.095 . . . . 0.0 111.661 168.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 16.1 mm -123.0 130.32 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.36 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.569 -174.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.26 159.05 30.58 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.498 1.124 . . . . 0.0 110.866 173.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.37 133.89 58.41 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.932 2.421 . . . . 0.0 111.282 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.54 6.79 5.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -175.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.36 -33.67 71.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.975 0.807 . . . . 0.0 109.543 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 26.6 p -154.9 168.22 27.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.481 -1.288 . . . . 0.0 113.639 -173.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -133.52 139.21 46.5 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.002 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -106.68 124.21 49.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -148.58 156.48 42.47 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -67.83 142.82 56.04 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.966 -1.015 . . . . 0.0 108.344 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 45.5 t -94.19 98.34 2.84 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 171.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -61.08 -31.95 91.21 Favored 'Trans proline' 0 C--N 1.328 -0.527 0 N-CA-C 117.745 2.171 . . . . 0.0 117.745 -167.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -91.05 8.6 34.65 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 117.868 -1.533 . . . . 0.0 112.236 -164.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 24.8 p -85.06 119.67 72.75 Favored Pre-proline 0 CA--C 1.515 -0.404 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.94 -19.92 34.22 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.425 -173.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 5.0 m -65.51 -34.61 78.68 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.406 0.548 . . . . 0.0 110.062 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.45 13.03 64.76 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.57 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -120.98 17.14 11.73 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . 0.42 HG22 ' CE3' ' C' ' 108' ' ' TRP . 16.3 t -97.14 133.53 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -125.1 151.77 45.26 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.514 1.759 . . . . 0.0 110.36 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 8.2 p -127.01 135.36 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -95.49 108.15 20.36 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.28 125.2 52.04 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -171.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -84.79 115.64 22.83 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 124.154 0.909 . . . . 0.0 109.222 176.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -63.41 -25.18 68.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.412 -169.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.22 115.1 28.78 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' B' ' 72' ' ' ARG . . . 102.0 172.44 27.6 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -172.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 6.8 m -91.4 9.01 33.49 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 122.042 -0.681 . . . . 0.0 110.497 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -70.56 129.22 38.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.614 -165.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 141.81 46.05 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.869 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.58 126.18 45.37 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 171.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . 0.425 ' HB2' ' SD ' ' C' ' 31' ' ' MET . 30.8 m-85 -100.87 143.73 30.66 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.68 1.237 . . . . 0.0 110.339 -177.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' C' ' 108' ' ' TRP . 92.6 m-85 -137.17 156.61 48.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.233 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . 0.478 ' CD1' ' C ' ' C' ' 107' ' ' PHE . 1.7 m0 -131.4 126.67 35.76 Favored 'General case' 0 N--CA 1.419 -1.979 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.45 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 109' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' C' ' 109' ' ' MET . 4.8 tmm? -62.7 137.78 58.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.272 -174.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -118.86 3.93 11.54 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.274 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . 0.431 ' O ' ' SD ' ' C' ' 109' ' ' MET . 8.8 tp10 -61.33 135.89 93.91 Favored Pre-proline 0 C--O 1.264 1.838 0 CA-C-O 123.165 1.46 . . . . 0.0 108.628 173.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.32 -41.27 42.99 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.559 -1.161 . . . . 0.0 112.447 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.12 146.96 24.22 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.513 173.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 11.9 t -83.53 -9.18 59.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.137 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -53.64 -33.75 56.24 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 123.37 0.668 . . . . 0.0 112.786 -169.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.23 5.81 37.83 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -174.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.307 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -69.84 -32.28 70.6 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.505 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -44.02 80.35 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-O 120.836 0.35 . . . . 0.0 110.949 175.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -55.59 -45.91 77.34 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.029 -1.044 . . . . 0.0 112.322 173.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 27.0 t -60.58 -43.08 97.73 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.712 0.768 . . . . 0.0 110.333 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -43.43 98.86 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.079 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -64.2 -42.32 96.7 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 15.8 t -52.23 -51.94 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.406 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.35 -39.53 87.48 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -45.94 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.477 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -79.07 -24.49 43.48 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.482 -0.887 . . . . 0.0 112.325 -174.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.485 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.07 -36.1 41.4 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.791 -0.764 . . . . 0.0 112.19 174.562 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . 0.485 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.78 -11.13 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -168.507 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -141.13 71.76 27.69 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 169.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -46.95 167.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.616 1.544 . . . . 0.0 111.59 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 0 C--N 1.291 -2.497 0 C-N-CA 122.517 2.145 . . . . 0.0 111.607 179.786 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -91.04 138.21 31.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 126.8 2.562 . . . . 0.0 108.92 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.4 pt -131.2 163.06 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.364 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 1.222 ' CZ ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -116.02 140.19 49.51 Favored 'General case' 0 N--CA 1.513 2.709 1 O-C-N 130.527 4.892 . . . . 0.0 108.8 179.627 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.04 114.29 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-O 113.42 -3.181 . . . . 0.0 105.545 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 1.222 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -95.24 127.63 41.44 Favored 'General case' 0 N--CA 1.505 2.325 1 O-C-N 129.297 4.123 . . . . 0.0 107.926 -178.22 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.4 t -99.63 170.7 8.4 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.407 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -6.92 49.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.221 0.95 . . . . 0.0 112.716 -178.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.59 14.92 30.52 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.69 -2.404 . . . . 0.0 111.897 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.76 80.11 Favored Glycine 0 C--N 1.298 -1.544 0 O-C-N 120.181 -1.574 . . . . 0.0 116.107 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.47 138.15 34.49 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 174.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.583 ' HB ' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -119.98 131.72 55.26 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.606 2.441 . . . . 0.0 105.948 176.321 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.54 141.87 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 127.698 3.124 . . . . 0.0 108.936 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 t -101.42 139.68 36.75 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 117.169 -1.813 . . . . 0.0 108.169 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -126.39 153.99 44.2 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 115.432 -2.223 . . . . 0.0 108.345 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -111.79 121.05 44.02 Favored 'General case' 0 N--CA 1.499 2.006 1 O-C-N 129.26 4.1 . . . . 0.0 103.719 173.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.99 170.57 15.99 Favored 'Isoleucine or valine' 0 C--O 1.255 1.353 0 O-C-N 127.537 3.023 . . . . 0.0 111.165 -177.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' ' OD2' ' A' ' 21' ' ' ASP . 2.1 pt-20 -119.9 144.49 37.52 Favored Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 112.353 -2.203 . . . . 0.0 106.381 174.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -55.09 -24.2 39.4 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.502 2.135 . . . . 0.0 111.94 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 p -80.12 -8.02 59.2 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.881 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.448 ' OD2' ' O ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -71.11 148.5 47.39 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 117.423 -1.711 . . . . 0.0 109.762 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.45 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.5 p -83.74 160.58 21.24 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 175.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.548 ' HA ' HG13 ' A' ' 26' ' ' VAL . 14.1 mm -61.6 -37.01 76.91 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 O-C-N 127.065 2.728 . . . . 0.0 110.25 175.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.57 -40.18 78.37 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.221 -0.924 . . . . 0.0 110.779 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.26 -41.99 80.29 Favored 'General case' 0 C--O 1.263 1.805 0 O-C-N 121.816 -0.553 . . . . 0.0 110.978 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.548 HG13 ' HA ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER -58.2 -46.4 88.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 O-C-N 124.492 1.12 . . . . 0.0 109.192 178.146 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.805 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 6.7 mtpp -60.83 -37.93 83.71 Favored 'General case' 0 C--O 1.259 1.566 0 CA-C-O 118.866 -0.588 . . . . 0.0 110.682 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.61 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.13 -38.14 87.42 Favored 'General case' 0 C--O 1.277 2.534 0 CA-C-N 118.094 0.406 . . . . 0.0 111.156 176.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -64.11 -37.44 87.44 Favored 'General case' 0 C--O 1.255 1.351 0 CA-C-O 123.087 1.422 . . . . 0.0 110.786 176.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.92 -39.6 77.77 Favored 'Isoleucine or valine' 0 C--O 1.251 1.158 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 1.166 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -62.25 -48.72 78.71 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.578 2.609 . . . . 0.0 109.09 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.14 -41.85 65.49 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.544 -1.662 . . . . 0.0 111.962 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 1.9 tptm -93.54 -24.25 18.03 Favored 'General case' 0 C--O 1.28 2.696 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -123.4 -6.51 8.18 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 123.156 2.707 . . . . 0.0 114.229 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.62 89.97 Favored Glycine 0 CA--C 1.479 -2.2 0 N-CA-C 118.849 2.3 . . . . 0.0 118.849 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 1.166 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 7.9 mt -79.73 124.82 83.34 Favored Pre-proline 0 C--O 1.245 0.834 0 C-N-CA 118.805 -1.158 . . . . 0.0 110.943 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -56.87 136.76 78.36 Favored 'Trans proline' 0 C--O 1.26 1.609 0 C-N-CA 123.337 2.692 . . . . 0.0 110.833 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.795 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 27.3 Cg_exo -57.16 -31.91 91.9 Favored 'Trans proline' 0 C--O 1.263 1.755 0 O-C-N 122.967 0.983 . . . . 0.0 113.616 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.48 -15.39 63.53 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 119.777 -1.827 . . . . 0.0 112.163 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -96.01 -10.22 29.09 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 120.749 -1.22 . . . . 0.0 111.985 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -84.84 129.58 34.79 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.326 2.012 . . . . 0.0 115.724 -177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -121.1 116.14 24.44 Favored 'General case' 0 C--O 1.3 3.743 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 171.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 mp -103.51 130.1 50.83 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 119.481 1.037 . . . . 0.0 109.904 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -122.03 131.89 72.14 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 O-C-N 125.192 1.558 . . . . 0.0 111.89 -177.581 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -144.36 129.59 18.72 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.434 -2.062 . . . . 0.0 105.434 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 46.06 19.79 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 112.278 -2.237 . . . . 0.0 110.719 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' HA3' ' CD2' ' C' ' 98' ' ' PHE . . . 61.69 21.72 61.0 Favored Glycine 0 N--CA 1.432 -1.567 0 C-N-CA 128.715 3.055 . . . . 0.0 117.357 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -115.01 142.78 46.17 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -85.82 130.26 34.6 Favored 'General case' 0 C--O 1.257 1.482 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 174.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.48 138.11 37.45 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 117.66 -1.162 . . . . 0.0 110.202 -175.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -101.73 140.07 36.51 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.092 1.495 . . . . 0.0 109.954 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -47.91 -42.51 27.32 Favored 'General case' 0 C--O 1.264 1.837 0 N-CA-C 120.831 3.641 . . . . 0.0 120.831 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.59 -8.98 85.36 Favored Glycine 0 CA--C 1.489 -1.545 0 N-CA-C 116.222 1.249 . . . . 0.0 116.222 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -85.39 165.39 17.26 Favored 'General case' 0 C--O 1.25 1.132 0 O-C-N 119.863 -1.963 . . . . 0.0 107.971 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 11.3 p -104.51 164.87 11.45 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 177.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.61 -35.94 79.3 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 p -64.32 -29.37 70.45 Favored 'General case' 0 C--O 1.266 1.969 0 C-N-CA 117.252 -1.779 . . . . 0.0 112.153 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.55 -39.51 70.7 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.467 1.127 . . . . 0.0 110.706 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -90.82 4.6 51.28 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.973 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 58.12 45.17 18.04 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 121.596 1.998 . . . . 0.0 111.189 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.0 mt -88.68 116.49 30.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.988 0 CA-C-O 115.175 -2.345 . . . . 0.0 106.263 175.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.44 169.62 8.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 126.025 2.078 . . . . 0.0 109.43 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.81 28.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 123.182 1.468 . . . . 0.0 109.178 -176.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 67.11 19.17 10.47 Favored 'General case' 0 C--O 1.254 1.34 0 N-CA-C 118.001 2.593 . . . . 0.0 118.001 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p -71.08 159.59 34.44 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.755 ' HB ' ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -119.16 126.75 52.33 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 118.192 -0.909 . . . . 0.0 108.806 175.79 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -103.2 154.61 19.15 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 114.876 -2.488 . . . . 0.0 105.629 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.565 ' O ' HG23 ' A' ' 44' ' ' ILE . 13.2 t-160 -105.65 135.63 46.71 Favored 'General case' 0 C--N 1.287 -2.125 0 O-C-N 127.296 2.872 . . . . 0.0 105.861 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 tp -106.85 115.78 30.78 Favored 'General case' 0 C--O 1.284 2.92 0 CA-C-O 117.607 -1.187 . . . . 0.0 111.442 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.5 t -108.1 139.83 28.83 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.95 138.84 33.01 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.203 0.525 . . . . 0.0 109.887 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 . . . . . 0 C--N 1.278 -2.506 0 CA-C-O 113.114 -3.327 . . . . 0.0 105.532 178.595 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 mtt . . . . . 0 CA--C 1.549 0.919 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -90.9 138.43 31.6 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 127.144 2.778 . . . . 0.0 108.86 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.16 163.05 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.299 0 CA-C-O 115.732 -2.08 . . . . 0.0 105.938 173.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -115.93 140.09 49.59 Favored 'General case' 0 N--CA 1.513 2.699 1 O-C-N 130.614 4.946 . . . . 0.0 108.652 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.91 114.11 44.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 113.496 -3.145 . . . . 0.0 105.836 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.07 127.55 41.21 Favored 'General case' 0 N--CA 1.502 2.147 1 O-C-N 129.112 4.007 . . . . 0.0 108.236 -178.188 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 52.1 p -99.57 170.87 8.29 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.787 -1.102 . . . . 0.0 109.266 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.412 HD22 ' N ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.37 -7.0 49.8 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 124.144 0.902 . . . . 0.0 112.875 -178.266 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.0 t -101.23 14.84 30.71 Favored 'General case' 0 N--CA 1.506 2.328 0 C-N-CA 115.705 -2.398 . . . . 0.0 111.947 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.7 80.09 Favored Glycine 0 C--N 1.295 -1.715 0 O-C-N 120.192 -1.568 . . . . 0.0 116.066 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.25 137.87 34.69 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 174.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.89 132.01 55.42 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 126.358 2.286 . . . . 0.0 106.223 176.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 tp -109.58 141.84 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.693 3.121 . . . . 0.0 109.022 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.29 139.85 36.39 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 116.985 -1.886 . . . . 0.0 108.344 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.46 154.11 44.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 115.564 -2.16 . . . . 0.0 108.374 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -111.81 121.26 44.59 Favored 'General case' 0 N--CA 1.495 1.819 1 O-C-N 129.145 4.028 . . . . 0.0 103.511 173.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.21 170.61 15.7 Favored 'Isoleucine or valine' 0 C--O 1.253 1.266 0 O-C-N 127.796 3.185 . . . . 0.0 111.199 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.93 144.6 37.79 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.09 -2.323 . . . . 0.0 106.353 174.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -54.94 -24.73 40.63 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 122.713 2.275 . . . . 0.0 111.531 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -79.85 -8.22 59.16 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.923 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.01 148.49 47.56 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.746 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -83.81 160.56 21.17 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.4 mm -61.49 -36.78 75.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 127.042 2.714 . . . . 0.0 110.353 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.771 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.12 -42.93 77.66 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 120.398 -1.439 . . . . 0.0 111.014 176.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -64.47 -44.55 90.7 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 124.245 1.018 . . . . 0.0 111.351 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.6 -46.33 90.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.933 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -60.7 -37.95 83.4 Favored 'General case' 0 C--O 1.254 1.342 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.858 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.07 86.89 Favored 'General case' 0 C--O 1.279 2.626 0 O-C-N 123.384 0.427 . . . . 0.0 111.334 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -63.96 -37.37 87.15 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 120.41 -1.431 . . . . 0.0 110.917 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.0 mt -69.76 -39.73 78.29 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -48.86 78.52 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.514 2.578 . . . . 0.0 109.009 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -41.79 66.13 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.89 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.322 6.1 tptm -93.43 -24.26 18.11 Favored 'General case' 0 C--O 1.281 2.744 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 -175.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.66 -6.3 8.05 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 122.935 2.607 . . . . 0.0 113.858 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.92 5.66 89.96 Favored Glycine 0 CA--C 1.477 -2.305 0 N-CA-C 118.836 2.294 . . . . 0.0 118.836 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.8 mt -80.0 125.07 82.61 Favored Pre-proline 0 C--O 1.241 0.647 0 C-N-CA 118.682 -1.207 . . . . 0.0 110.989 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 91.6 Cg_exo -57.14 137.03 80.0 Favored 'Trans proline' 0 C--O 1.257 1.431 0 C-N-CA 122.971 2.447 . . . . 0.0 110.865 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -57.25 -32.15 92.81 Favored 'Trans proline' 0 C--O 1.261 1.647 0 O-C-N 122.98 0.989 . . . . 0.0 113.351 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -68.26 -15.71 63.68 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 119.948 -1.72 . . . . 0.0 112.242 -177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.641 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 74.4 mm-40 -95.47 -10.6 29.37 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 120.524 -1.36 . . . . 0.0 112.252 178.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -84.84 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.264 1.983 . . . . 0.0 115.753 -177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 0.0 OUTLIER -121.17 116.09 24.28 Favored 'General case' 0 C--O 1.298 3.606 0 N-CA-C 104.812 -2.292 . . . . 0.0 104.812 172.181 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.62 130.22 51.03 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 119.46 1.027 . . . . 0.0 109.914 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -121.91 131.62 72.71 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 O-C-N 125.117 1.51 . . . . 0.0 112.048 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.21 129.85 19.13 Favored 'General case' 0 C--N 1.359 0.98 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 45.89 19.73 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 111.988 -2.369 . . . . 0.0 110.705 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.19 59.63 Favored Glycine 0 C--N 1.298 -1.544 0 C-N-CA 128.284 2.849 . . . . 0.0 117.397 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -109.83 143.81 39.17 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 115.335 -2.269 . . . . 0.0 110.996 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -87.17 130.35 34.58 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.5 mt -79.67 138.41 37.36 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 117.626 -1.178 . . . . 0.0 110.091 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -101.88 139.9 36.89 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 125.28 1.613 . . . . 0.0 110.009 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.771 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 1.1 p30 -48.17 -42.11 28.79 Favored 'General case' 0 C--O 1.263 1.795 0 N-CA-C 120.78 3.622 . . . . 0.0 120.78 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.15 -8.61 85.25 Favored Glycine 0 CA--C 1.494 -1.268 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.53 165.24 17.26 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.189 -1.771 . . . . 0.0 108.006 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 21.1 p -104.41 164.4 11.77 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.0 -36.31 79.13 Favored 'General case' 0 C--O 1.201 -1.457 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.7 m -63.75 -29.61 70.8 Favored 'General case' 0 C--O 1.267 2.016 0 C-N-CA 117.291 -1.764 . . . . 0.0 112.245 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -55.76 -39.0 70.6 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.567 1.175 . . . . 0.0 110.731 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -91.16 4.5 52.07 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 117.625 -1.179 . . . . 0.0 112.866 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.95 45.39 18.25 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 121.607 2.003 . . . . 0.0 111.301 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 20.8 mt -88.75 116.31 30.18 Favored 'Isoleucine or valine' 0 C--O 1.27 2.176 0 CA-C-O 115.029 -2.415 . . . . 0.0 106.234 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -103.39 169.52 8.49 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 126.163 2.164 . . . . 0.0 109.743 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.82 142.92 27.34 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 123.115 1.436 . . . . 0.0 109.305 -176.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 66.96 19.23 10.62 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 117.744 2.498 . . . . 0.0 117.744 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.12 159.6 34.4 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 174.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.07 126.62 52.1 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 118.228 -0.891 . . . . 0.0 108.784 175.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.22 154.59 19.18 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 114.727 -2.558 . . . . 0.0 105.696 175.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -105.57 135.8 46.31 Favored 'General case' 0 C--N 1.284 -2.272 0 O-C-N 127.574 3.046 . . . . 0.0 105.701 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 tt -107.19 115.87 30.93 Favored 'General case' 0 C--O 1.282 2.784 0 CA-C-O 117.731 -1.128 . . . . 0.0 111.399 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.8 m -108.21 139.97 28.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 103.4 -2.815 . . . . 0.0 103.4 175.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.641 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.11 -83.39 0.37 Allowed 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.051 0.453 . . . . 0.0 109.857 178.394 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.448 ' N ' HD13 ' B' ' 71' ' ' LEU . 1.2 tmt_? . . . . . 0 C--N 1.277 -2.554 0 CA-C-O 113.489 -3.148 . . . . 0.0 105.453 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.646 0.736 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -89.06 137.95 31.85 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.536 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.604 ' HB2' HG22 ' C' ' 49' ' ' ILE . 0.4 OUTLIER -70.28 -39.6 74.82 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.699 0.761 . . . . 0.0 111.844 172.476 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.634 ' HB ' HG23 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.31 136.1 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 107.426 -178.222 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.38 148.04 34.18 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.572 165.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -161.01 155.18 22.85 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.241 0.963 . . . . 0.0 111.21 173.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -72.26 127.87 33.9 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.181 -1.372 . . . . 0.0 112.307 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.098 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.99 164.89 25.17 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 108.247 -1.941 . . . . 0.0 108.247 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 -179.2 3.77 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' MET . . . . . 0.724 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.3 mpt? -137.07 161.09 37.04 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 174.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 87.8 p -136.67 156.54 48.4 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.067 -1.453 . . . . 0.0 108.734 177.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mp -92.73 116.17 28.77 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 115.81 29.33 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 172.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 10.4 t -113.92 14.52 18.52 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.37 -0.415 . . . . 0.0 109.958 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -112.06 122.48 47.87 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 85.0 t -76.09 120.06 25.35 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 50.4 m -124.14 119.28 26.49 Favored Pre-proline 0 C--O 1.245 0.856 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.222 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . 0.724 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 32.3 Cg_exo -59.91 134.79 59.01 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.956 -0.896 . . . . 0.0 111.846 173.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -85.68 132.16 34.2 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.95 -11.17 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -67.08 144.37 56.15 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -68.04 125.55 26.68 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 171.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.34 171.25 21.57 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.316 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -128.43 124.37 36.06 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 15.9 t -90.91 137.63 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 164.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -151.95 157.76 42.22 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.973 0.892 . . . . 0.0 113.015 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.778 HG13 ' CE1' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -118.81 131.07 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.591 -1.641 . . . . 0.0 108.321 174.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -134.02 137.68 44.89 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -100.25 122.06 42.45 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 170.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 68.4 p -83.99 171.16 13.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.33 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.54 -10.51 59.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -170.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -82.7 7.48 14.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.014 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.87 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.458 1.503 . . . . 0.0 114.684 -177.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.89 149.86 39.36 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 122.165 0.983 . . . . 0.0 113.034 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -102.15 129.08 54.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.138 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.61 125.3 50.52 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -176.579 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.74 119.0 36.74 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 91.4 m -127.63 156.88 41.61 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -130.5 128.26 40.83 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.738 169.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -120.65 134.25 55.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.773 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.22 115.36 13.63 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -64.0 -32.44 73.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -176.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 5.5 t -72.51 -46.14 56.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -175.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.44 -20.53 21.68 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.516 -176.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.53 2.76 60.79 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -72.52 130.0 39.61 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.679 1.24 . . . . 0.0 113.159 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.2 109.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.49 -28.89 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.942 -171.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.02 135.6 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.838 0.828 . . . . 0.0 109.386 177.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -155.04 103.31 2.38 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.06 123.21 45.1 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.253 -174.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 pt -75.83 124.36 33.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.384 1.087 . . . . 0.0 111.721 168.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 46.9 mm -123.02 130.29 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.381 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.597 -174.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -101.24 158.98 30.76 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.403 1.064 . . . . 0.0 110.885 173.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -54.37 133.88 58.37 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.915 2.41 . . . . 0.0 111.264 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.59 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -70.45 -33.61 71.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.038 0.835 . . . . 0.0 109.563 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 29.1 p -154.87 168.12 27.97 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.536 -1.266 . . . . 0.0 113.635 -173.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -133.45 139.31 46.63 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.468 -1.696 . . . . 0.0 106.992 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . 0.513 ' CD2' ' HB ' ' C' ' 124' ' ' VAL . 2.7 m-85 -106.76 124.19 49.25 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -148.54 156.43 42.43 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -177.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -67.75 142.79 56.15 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.486 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.18 98.33 2.82 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 171.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -61.02 -31.96 91.75 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 N-CA-C 117.814 2.198 . . . . 0.0 117.814 -167.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.09 8.59 34.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.207 -164.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.05 119.64 72.72 Favored Pre-proline 0 CA--C 1.516 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.96 -19.86 34.06 Favored 'Trans proline' 0 C--N 1.346 0.421 0 O-C-N 123.054 1.028 . . . . 0.0 114.422 -173.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 83.2 p -65.5 -34.63 78.71 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.437 0.562 . . . . 0.0 110.083 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.03 64.87 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.529 -172.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -121.09 17.18 11.64 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 45.2 t -97.06 133.42 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 173.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . 0.734 ' CD1' ' HB2' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -125.05 151.74 45.22 Favored 'General case' 0 CA--C 1.499 -0.988 0 O-C-N 125.509 1.756 . . . . 0.0 110.448 178.588 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . 0.568 ' N ' ' CD2' ' C' ' 94' ' ' TYR . 1.3 m -126.94 135.33 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . 0.547 ' O ' ' HG ' ' C' ' 96' ' ' LEU . 0.2 OUTLIER -95.43 108.1 20.29 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 169.151 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -109.17 125.15 51.9 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -171.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.4 ' CD2' ' HA3' ' A' ' 47' ' ' GLY . 77.8 m-85 -84.77 115.72 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.052 0.845 . . . . 0.0 109.195 176.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -63.5 -25.09 68.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.429 -169.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.31 115.21 28.93 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 173.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . 0.554 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.91 172.39 27.71 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -172.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.38 9.08 33.12 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.099 -0.648 . . . . 0.0 110.588 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -70.63 129.17 38.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 117.882 -1.527 . . . . 0.0 110.573 -165.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 141.75 46.28 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.943 175.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.53 126.2 45.45 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 171.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' C' ' 106' ' ' PHE . 1.4 m-85 -100.94 143.68 30.79 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 124.698 1.249 . . . . 0.0 110.281 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . 0.734 ' HB2' ' CD1' ' C' ' 94' ' ' TYR . 54.3 m-85 -137.1 156.68 48.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.234 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -131.43 126.54 35.35 Favored 'General case' 0 N--CA 1.42 -1.968 0 C-N-CA 119.581 -0.848 . . . . 0.0 110.388 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.66 137.74 58.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.278 -174.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.87 3.99 11.52 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.213 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 135.84 93.86 Favored Pre-proline 0 C--O 1.265 1.913 0 CA-C-O 123.028 1.394 . . . . 0.0 108.705 172.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.21 -41.32 43.51 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.609 -1.127 . . . . 0.0 112.444 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -96.17 146.9 24.29 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.482 173.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 27.9 p -83.48 -9.19 59.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.166 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -33.81 56.29 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.403 0.681 . . . . 0.0 112.77 -169.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.19 5.8 37.93 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -174.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -48.82 77.35 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.97 -1.092 . . . . 0.0 110.252 -177.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.3 70.73 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.576 -173.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -44.02 80.24 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.856 0.36 . . . . 0.0 110.91 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -55.61 -45.84 77.44 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.026 -1.046 . . . . 0.0 112.301 173.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . 0.923 ' O ' HG22 ' C' ' 124' ' ' VAL . 1.3 m -60.7 -43.06 98.26 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.681 0.753 . . . . 0.0 110.287 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -43.52 98.67 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.074 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -64.19 -42.34 96.7 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . 1.077 ' HA ' ' CE2' ' C' ' 127' ' ' TYR . 16.8 m -52.33 -51.94 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.336 175.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . 0.418 ' N ' HG21 ' C' ' 124' ' ' VAL . 1.4 m-20 -60.28 -39.52 87.15 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -45.96 82.35 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.51 -178.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . 1.077 ' CE2' ' HA ' ' C' ' 124' ' ' VAL . 0.6 OUTLIER -79.07 -24.49 43.49 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.38 -174.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.645 ' HG ' ' CE1' ' C' ' 127' ' ' TYR . 5.9 mt -78.97 -36.08 42.03 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.771 -0.771 . . . . 0.0 112.322 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -110.79 -11.13 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -168.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -141.15 71.83 27.5 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -46.17 108.8 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.592 1.528 . . . . 0.0 111.634 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo . . . . . 0 C--N 1.29 -2.538 0 C-N-CA 122.422 2.081 . . . . 0.0 111.573 179.804 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptt? . . . . . 0 CA--C 1.549 0.927 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -91.12 138.19 31.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 126.856 2.597 . . . . 0.0 108.884 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 pp -131.22 162.97 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.372 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.0 140.22 49.47 Favored 'General case' 0 N--CA 1.512 2.663 1 O-C-N 130.496 4.873 . . . . 0.0 108.787 179.582 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.7 t -118.06 114.2 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 113.4 -3.191 . . . . 0.0 105.602 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -95.13 127.58 41.29 Favored 'General case' 0 N--CA 1.506 2.363 1 O-C-N 129.354 4.159 . . . . 0.0 107.95 -178.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -99.61 170.81 8.33 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.294 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -6.85 48.97 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.046 0.841 . . . . 0.0 112.697 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -101.55 14.97 30.36 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 115.754 -2.379 . . . . 0.0 111.936 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.79 80.21 Favored Glycine 0 C--N 1.297 -1.588 0 O-C-N 120.205 -1.56 . . . . 0.0 116.154 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 138.13 34.57 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 p -119.95 131.67 55.27 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 126.675 2.484 . . . . 0.0 105.928 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.53 141.98 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 127.738 3.149 . . . . 0.0 108.956 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -101.37 139.78 36.56 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.17 -1.812 . . . . 0.0 108.083 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -126.47 154.06 44.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 115.458 -2.211 . . . . 0.0 108.311 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -111.86 121.0 43.85 Favored 'General case' 0 N--CA 1.499 1.99 1 O-C-N 129.204 4.065 . . . . 0.0 103.639 173.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.92 170.6 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.335 0 O-C-N 127.477 2.986 . . . . 0.0 111.175 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -119.96 144.52 37.68 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 112.395 -2.184 . . . . 0.0 106.256 174.643 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -55.03 -24.26 39.17 Favored 'Trans proline' 0 C--N 1.321 -0.894 0 C-N-CA 122.481 2.121 . . . . 0.0 111.993 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 p -80.08 -8.1 59.22 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.857 -177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 21' ' ' ASP . 30.2 p-10 -71.15 148.38 47.44 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 117.505 -1.678 . . . . 0.0 109.81 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.67 160.5 21.32 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.9 mm -61.44 -37.14 77.06 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 O-C-N 127.137 2.773 . . . . 0.0 110.212 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -57.5 -40.27 78.29 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.303 -0.873 . . . . 0.0 110.793 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.13 -42.01 80.8 Favored 'General case' 0 C--O 1.262 1.716 0 O-C-N 121.872 -0.517 . . . . 0.0 110.998 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.22 -46.36 88.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 O-C-N 124.461 1.1 . . . . 0.0 109.173 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -60.93 -37.92 83.98 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-O 118.803 -0.617 . . . . 0.0 110.683 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.17 87.56 Favored 'General case' 0 C--O 1.277 2.523 0 CA-C-N 118.107 0.412 . . . . 0.0 111.117 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -37.49 87.64 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-O 123.082 1.42 . . . . 0.0 110.678 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 mm -69.95 -39.58 77.66 Favored 'Isoleucine or valine' 0 C--O 1.251 1.155 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -48.72 78.82 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 125.556 2.598 . . . . 0.0 109.136 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -41.71 65.73 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.39 -1.732 . . . . 0.0 111.991 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -93.67 -24.14 17.98 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 -175.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -123.46 -6.48 8.15 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 123.129 2.695 . . . . 0.0 114.23 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.6 90.0 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.948 2.339 . . . . 0.0 118.948 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -79.73 124.83 83.33 Favored Pre-proline 0 C--O 1.244 0.803 0 C-N-CA 118.761 -1.176 . . . . 0.0 110.945 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -57.02 136.85 79.15 Favored 'Trans proline' 0 C--O 1.259 1.537 0 C-N-CA 123.361 2.707 . . . . 0.0 110.715 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -57.18 -31.94 92.01 Favored 'Trans proline' 0 C--O 1.263 1.761 0 O-C-N 122.925 0.96 . . . . 0.0 113.647 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.47 -15.33 63.51 Favored 'General case' 0 C--O 1.262 1.748 0 O-C-N 119.872 -1.767 . . . . 0.0 112.306 -177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.95 -10.27 29.09 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 120.64 -1.287 . . . . 0.0 112.079 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -84.92 129.59 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.453 2.073 . . . . 0.0 115.792 -177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 116.09 24.41 Favored 'General case' 0 C--O 1.299 3.703 0 N-CA-C 105.037 -2.209 . . . . 0.0 105.037 171.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.7 mt -103.5 130.19 50.83 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 119.566 1.075 . . . . 0.0 109.998 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 O-C-N 125.088 1.493 . . . . 0.0 111.852 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . 1.012 ' O ' ' OH ' ' A' ' 59' ' ' TYR . 28.1 t80 -144.32 129.5 18.68 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.22 46.1 19.92 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 112.277 -2.238 . . . . 0.0 110.76 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.53 21.8 60.74 Favored Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 128.668 3.033 . . . . 0.0 117.549 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 17.7 mmtp -115.1 142.85 46.09 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 177.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.86 130.31 34.59 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 174.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 mp -79.44 138.08 37.47 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 117.622 -1.18 . . . . 0.0 110.196 -176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.73 140.17 36.37 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 125.099 1.499 . . . . 0.0 109.983 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.07 -42.44 28.64 Favored 'General case' 0 C--O 1.263 1.801 0 N-CA-C 120.752 3.612 . . . . 0.0 120.752 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.72 -8.88 85.38 Favored Glycine 0 CA--C 1.49 -1.488 0 N-CA-C 116.139 1.216 . . . . 0.0 116.139 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -85.42 165.37 17.25 Favored 'General case' 0 C--O 1.251 1.151 0 O-C-N 119.822 -1.987 . . . . 0.0 107.986 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 17.5 p -104.54 164.85 11.46 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 176.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mp -61.58 -35.97 79.33 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -29.56 70.66 Favored 'General case' 0 C--O 1.267 2.004 0 C-N-CA 117.264 -1.774 . . . . 0.0 112.198 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -55.41 -39.54 70.33 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 122.451 1.12 . . . . 0.0 110.741 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 1.012 ' OH ' ' O ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.88 4.81 50.84 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 117.79 -1.1 . . . . 0.0 113.088 179.107 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.95 45.29 18.4 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 121.537 1.972 . . . . 0.0 111.266 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 mt -88.78 116.57 30.64 Favored 'Isoleucine or valine' 0 C--O 1.266 1.962 0 CA-C-O 115.238 -2.315 . . . . 0.0 106.15 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.48 169.67 8.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 126.018 2.074 . . . . 0.0 109.441 -176.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -54.95 142.94 27.91 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.169 1.461 . . . . 0.0 109.119 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 67.02 19.21 10.57 Favored 'General case' 0 C--O 1.254 1.305 0 N-CA-C 118.002 2.593 . . . . 0.0 118.002 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -71.22 159.58 34.38 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.14 126.74 52.31 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 118.121 -0.942 . . . . 0.0 108.805 175.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -103.14 154.54 19.19 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 114.718 -2.563 . . . . 0.0 105.63 175.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -105.69 135.62 46.77 Favored 'General case' 0 C--N 1.286 -2.156 0 O-C-N 127.436 2.96 . . . . 0.0 105.817 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.0 tp -106.88 115.87 30.93 Favored 'General case' 0 C--O 1.284 2.912 0 CA-C-O 117.656 -1.164 . . . . 0.0 111.423 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 t -108.16 139.91 28.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -96.08 138.88 33.06 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.207 0.527 . . . . 0.0 109.868 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 . . . . . 0 C--N 1.278 -2.531 0 CA-C-O 113.212 -3.28 . . . . 0.0 105.552 178.506 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.4 mtp . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.96 138.42 31.61 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 127.085 2.741 . . . . 0.0 108.807 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 pp -131.05 163.09 37.92 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 CA-C-O 115.739 -2.077 . . . . 0.0 105.896 173.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -116.02 140.11 49.59 Favored 'General case' 0 N--CA 1.514 2.745 1 O-C-N 130.638 4.961 . . . . 0.0 108.604 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.86 114.06 44.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.796 175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -95.06 127.48 41.16 Favored 'General case' 0 N--CA 1.502 2.147 1 O-C-N 129.227 4.079 . . . . 0.0 108.165 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.1 p -99.52 170.87 8.3 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.233 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.459 HD12 ' N ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.43 -7.0 49.92 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 124.078 0.861 . . . . 0.0 112.891 -178.3 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -101.22 14.88 30.57 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 115.627 -2.429 . . . . 0.0 112.041 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.72 80.09 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 120.144 -1.598 . . . . 0.0 116.037 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -96.23 137.86 34.69 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.91 131.93 55.38 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 126.367 2.292 . . . . 0.0 106.216 176.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.47 141.79 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 127.77 3.169 . . . . 0.0 109.131 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.09 139.88 36.16 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 117.05 -1.86 . . . . 0.0 108.386 177.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.65 154.04 44.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 115.553 -2.165 . . . . 0.0 108.354 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.79 121.09 44.15 Favored 'General case' 0 N--CA 1.495 1.808 1 O-C-N 129.234 4.084 . . . . 0.0 103.547 174.153 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.01 170.6 15.94 Favored 'Isoleucine or valine' 0 C--O 1.255 1.352 0 O-C-N 127.721 3.138 . . . . 0.0 111.246 -177.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 144.6 37.99 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 112.12 -2.309 . . . . 0.0 106.391 174.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.86 -24.76 40.18 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 C-N-CA 122.778 2.318 . . . . 0.0 111.559 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -8.3 59.2 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 121.107 -0.995 . . . . 0.0 110.923 -177.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.87 148.46 47.76 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 117.432 -1.707 . . . . 0.0 109.772 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -83.94 160.52 21.06 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 1.31 HG23 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.42 -36.71 74.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 126.964 2.665 . . . . 0.0 110.419 175.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.774 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.13 -42.99 77.77 Favored 'General case' 0 C--O 1.251 1.165 0 O-C-N 120.352 -1.467 . . . . 0.0 110.98 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -64.31 -44.59 91.11 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.183 0.993 . . . . 0.0 111.487 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.57 -46.33 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.194 -1.366 . . . . 0.0 108.935 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -60.73 -37.99 83.63 Favored 'General case' 0 C--O 1.256 1.437 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.821 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.95 86.57 Favored 'General case' 0 C--O 1.278 2.563 0 O-C-N 123.356 0.41 . . . . 0.0 111.341 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -64.14 -37.31 86.99 Favored 'General case' 0 C--O 1.252 1.22 0 CA-C-O 123.03 1.395 . . . . 0.0 110.861 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mt -69.83 -39.76 78.16 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.97 -48.79 78.78 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.641 2.638 . . . . 0.0 109.047 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.39 -41.74 66.22 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-N 113.716 -1.584 . . . . 0.0 111.886 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 7.3 mttp -93.42 -24.35 18.08 Favored 'General case' 0 C--O 1.28 2.664 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -123.65 -6.45 8.04 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 122.918 2.599 . . . . 0.0 113.835 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.06 5.55 90.05 Favored Glycine 0 CA--C 1.476 -2.403 0 N-CA-C 118.813 2.285 . . . . 0.0 118.813 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.441 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 46.8 mt -79.85 125.03 82.98 Favored Pre-proline 0 C--O 1.241 0.637 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.111 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 83.5 Cg_exo -57.15 137.04 80.05 Favored 'Trans proline' 0 C--O 1.256 1.415 0 C-N-CA 122.893 2.395 . . . . 0.0 110.905 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -57.29 -32.1 92.76 Favored 'Trans proline' 0 C--O 1.262 1.706 0 O-C-N 123.028 1.015 . . . . 0.0 113.313 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.34 -15.53 63.59 Favored 'General case' 0 C--O 1.263 1.776 0 O-C-N 120.022 -1.674 . . . . 0.0 112.246 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.664 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 29.2 mm-40 -95.61 -10.57 29.12 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.487 -1.383 . . . . 0.0 112.181 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.87 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 124.176 1.941 . . . . 0.0 115.75 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -121.21 116.09 24.25 Favored 'General case' 0 C--O 1.297 3.603 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 172.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.8 tp -103.51 130.24 50.85 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 119.451 1.023 . . . . 0.0 110.001 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.97 131.53 72.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 O-C-N 125.136 1.523 . . . . 0.0 112.069 -177.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.21 129.86 19.14 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 45.97 19.37 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 112.011 -2.359 . . . . 0.0 110.686 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.22 59.68 Favored Glycine 0 C--N 1.298 -1.556 0 C-N-CA 128.341 2.876 . . . . 0.0 117.287 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.84 143.87 39.1 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 115.377 -2.249 . . . . 0.0 110.953 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -87.09 130.28 34.57 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 104.12 -2.548 . . . . 0.0 104.12 173.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -79.57 138.44 37.47 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.08 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 1.31 ' O ' HG23 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -101.86 140.06 36.65 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 125.206 1.567 . . . . 0.0 110.025 -177.738 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.774 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.4 OUTLIER -48.35 -41.94 30.05 Favored 'General case' 0 C--O 1.263 1.78 0 N-CA-C 120.745 3.609 . . . . 0.0 120.745 -175.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.34 -8.48 85.11 Favored Glycine 0 CA--C 1.492 -1.373 0 N-CA-C 115.966 1.146 . . . . 0.0 115.966 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.453 ' O ' HG22 ' B' ' 23' ' ' ILE . 4.2 mmt85 -85.74 165.3 17.03 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 120.099 -1.824 . . . . 0.0 107.957 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 12.4 p -104.27 164.59 11.62 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 mt -61.2 -36.36 79.66 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.0 p -63.62 -29.82 71.01 Favored 'General case' 0 C--O 1.267 1.979 0 C-N-CA 117.334 -1.746 . . . . 0.0 112.187 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.7 -38.95 70.38 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 122.554 1.169 . . . . 0.0 110.785 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -91.16 4.52 52.01 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.857 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.96 45.26 18.42 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 121.679 2.036 . . . . 0.0 111.308 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -88.64 116.25 30.01 Favored 'Isoleucine or valine' 0 C--O 1.27 2.166 0 CA-C-O 115.115 -2.374 . . . . 0.0 106.277 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.37 169.56 8.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 126.066 2.104 . . . . 0.0 109.696 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -54.85 142.94 27.4 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 123.042 1.401 . . . . 0.0 109.387 -176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.94 19.15 10.63 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.8 t -71.17 159.63 34.31 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 174.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -119.02 126.6 52.1 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 118.214 -0.898 . . . . 0.0 108.868 175.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -103.15 154.58 19.15 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 114.65 -2.595 . . . . 0.0 105.71 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -105.63 135.79 46.4 Favored 'General case' 0 C--N 1.283 -2.293 0 O-C-N 127.62 3.075 . . . . 0.0 105.744 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . 0.4 ' O ' HD22 ' B' ' 8' ' ' LEU . 6.0 tt -107.14 115.76 30.74 Favored 'General case' 0 C--O 1.284 2.875 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.514 176.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.2 t -108.09 139.9 28.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 103.43 -2.804 . . . . 0.0 103.43 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.664 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.12 -83.38 0.37 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.065 0.459 . . . . 0.0 109.824 178.409 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.631 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 13.7 tpt180 . . . . . 0 C--N 1.277 -2.554 0 CA-C-O 113.504 -3.141 . . . . 0.0 105.39 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tptp . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 121.584 0.707 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.0 137.88 31.91 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.589 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.589 ' HB2' HG22 ' C' ' 49' ' ' ILE . 0.3 OUTLIER -70.25 -39.54 74.97 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.885 172.439 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.479 ' HB ' ' CE1' ' C' ' 127' ' ' TYR . 1.0 OUTLIER -144.43 136.06 21.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 125.178 1.391 . . . . 0.0 107.496 -178.205 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.37 148.01 34.16 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.572 165.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.99 155.17 22.89 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.264 0.978 . . . . 0.0 111.181 173.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 127.76 33.55 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.375 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.16 147.66 6.75 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.102 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.9 164.79 25.23 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 108.267 -1.933 . . . . 0.0 108.267 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -179.2 3.79 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.3 mtt -137.18 161.01 37.34 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' SER . . . . . 0.407 ' O ' ' CG2' ' C' ' 39' ' ' THR . 7.5 m -136.6 156.5 48.48 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.827 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 116.12 28.73 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 105.939 -1.874 . . . . 0.0 105.939 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.37 115.85 29.39 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.05 8.62 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -113.9 14.48 18.54 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.412 -0.394 . . . . 0.0 110.028 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -111.97 122.46 47.82 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 t -76.09 120.03 25.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' C' ' 32' ' ' SER . 1.2 t -124.11 119.41 26.51 Favored Pre-proline 0 C--O 1.246 0.872 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.141 -173.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.85 134.77 59.08 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 CA-C-O 122.302 0.876 . . . . 0.0 111.909 173.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -85.74 132.14 34.19 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.13 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.06 144.36 56.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -173.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 125.58 26.81 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.34 171.25 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.134 1.408 . . . . 0.0 115.37 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . 0.672 ' HB2' ' OH ' ' C' ' 48' ' ' TYR . 17.8 mt -128.4 124.44 36.33 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 175.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.98 137.57 21.45 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 164.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 1.293 ' OH ' ' HB3' ' C' ' 62' ' ' LYS . 0.0 OUTLIER -151.98 157.74 42.15 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 122.049 0.928 . . . . 0.0 112.911 175.597 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.842 HG13 ' CE2' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -118.73 131.09 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 113.507 -1.679 . . . . 0.0 108.418 174.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.05 137.64 44.81 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.19 122.05 42.41 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 170.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 7.5 t -84.08 171.19 13.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.238 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -71.65 -10.34 59.62 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.593 -0.843 . . . . 0.0 113.201 -170.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.68 7.41 14.92 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.021 170.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 4.0 t 73.83 -1.25 3.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.507 1.523 . . . . 0.0 114.749 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.18 129.12 54.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.147 -177.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 1.4 m-70 -117.61 125.25 50.44 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.79 118.98 36.77 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.73 156.9 41.68 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -171.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . 0.446 ' HZ2' ' CZ ' ' C' ' 107' ' ' PHE . 4.0 m-90 -130.46 128.29 40.96 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.466 -1.697 . . . . 0.0 108.718 169.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . 1.293 ' HB3' ' OH ' ' C' ' 48' ' ' TYR . 0.6 OUTLIER -120.75 134.35 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.742 -176.313 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -74.29 115.36 13.71 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 173.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -64.1 -32.29 73.8 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -176.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p -72.49 -46.23 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -91.43 -20.51 21.7 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.559 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.75 60.84 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.53 130.03 39.68 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.624 1.212 . . . . 0.0 113.18 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.19 109.11 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.47 -28.77 15.29 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.062 -171.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -122.07 135.53 54.83 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.861 0.839 . . . . 0.0 109.386 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.94 103.35 2.4 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.569 -2.382 . . . . 0.0 104.569 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 16.5 mt -118.09 123.27 45.22 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.275 -174.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 mp -75.89 124.28 33.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.377 1.084 . . . . 0.0 111.715 168.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.96 130.33 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.632 -174.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -101.27 158.98 30.75 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.463 1.102 . . . . 0.0 110.861 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.32 133.87 58.15 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.931 2.421 . . . . 0.0 111.289 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.6 6.7 5.85 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -175.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -70.36 -33.67 71.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.003 0.819 . . . . 0.0 109.543 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 18.7 p -154.9 168.26 27.53 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.442 -1.303 . . . . 0.0 113.605 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -133.48 139.26 46.57 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.501 -1.681 . . . . 0.0 107.065 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . 0.508 ' CZ ' ' CB ' ' C' ' 94' ' ' TYR . 17.8 t80 -106.72 124.21 49.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 156.45 42.44 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -67.78 142.83 56.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.357 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . 0.461 ' HB ' HG11 ' C' ' 93' ' ' VAL . 2.5 t -94.23 98.3 2.83 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 171.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -61.07 -31.87 91.23 Favored 'Trans proline' 0 C--N 1.329 -0.479 0 N-CA-C 117.837 2.207 . . . . 0.0 117.837 -167.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -91.09 8.64 34.54 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.236 -164.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . 0.545 ' HB3' HG12 ' C' ' 93' ' ' VAL . 12.7 t -85.12 119.66 72.69 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -56.97 -19.91 34.39 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.97 0.984 . . . . 0.0 114.39 -173.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 6.6 m -65.48 -34.61 78.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.419 0.554 . . . . 0.0 110.131 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.43 13.12 64.84 Favored Glycine 0 CA--C 1.506 -0.529 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.534 -172.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -120.99 16.98 11.72 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' C' ' 88' ' ' CYS . 2.7 p -96.92 133.39 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . 0.508 ' CB ' ' CZ ' ' C' ' 82' ' ' PHE . 1.9 m-85 -125.06 151.76 45.22 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 125.572 1.795 . . . . 0.0 110.43 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -126.93 135.4 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.42 108.12 20.3 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 104.906 -2.257 . . . . 0.0 104.906 169.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -109.22 125.14 51.94 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -84.73 115.68 22.82 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.135 0.897 . . . . 0.0 109.214 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -25.17 68.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.412 -169.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.29 115.12 28.79 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 173.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.97 172.43 27.64 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -172.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.47 9.12 33.23 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 122.099 -0.648 . . . . 0.0 110.484 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -70.65 129.23 38.61 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.593 -165.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.07 141.73 46.15 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.948 175.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 25.4 mt -124.51 126.24 45.53 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -100.88 143.64 30.79 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.68 1.237 . . . . 0.0 110.316 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . 0.446 ' CZ ' ' HZ2' ' C' ' 61' ' ' TRP . 0.5 OUTLIER -137.07 156.67 48.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.26 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -131.36 126.66 35.83 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.394 175.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.75 137.79 58.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.272 -174.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -118.84 3.98 11.54 Favored 'General case' 0 N--CA 1.428 -1.534 0 CA-C-N 114.627 -1.169 . . . . 0.0 110.31 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.37 135.88 93.97 Favored Pre-proline 0 C--O 1.265 1.906 0 CA-C-O 123.164 1.459 . . . . 0.0 108.63 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.24 -41.35 43.05 Favored 'Trans proline' 0 C--O 1.246 0.915 0 C-N-CA 117.603 -1.132 . . . . 0.0 112.466 -174.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.12 146.96 24.22 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.513 173.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 84.9 m -83.49 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.158 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -53.61 -33.84 56.38 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -103.08 5.77 38.2 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -56.91 -48.8 77.37 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 118.986 -1.086 . . . . 0.0 110.276 -177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -32.18 70.41 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.492 -173.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -44.04 79.9 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 175.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . 0.404 ' O ' HG13 ' C' ' 124' ' ' VAL . 3.8 t60 -55.49 -45.89 76.99 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.021 -1.05 . . . . 0.0 112.37 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . 0.705 ' O ' ' CG1' ' C' ' 124' ' ' VAL . 0.8 OUTLIER -60.64 -43.1 97.94 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.677 0.751 . . . . 0.0 110.326 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -61.83 -43.51 98.71 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.117 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -64.26 -42.29 96.55 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . 1.0 ' HA ' ' CE1' ' C' ' 127' ' ' TYR . 0.6 OUTLIER -52.28 -51.96 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.421 175.496 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -39.62 87.4 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.27 -45.97 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.461 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . 1.0 ' CE1' ' HA ' ' C' ' 124' ' ' VAL . 0.4 OUTLIER -79.09 -24.42 43.47 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.35 -174.606 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.575 ' N ' ' CD2' ' C' ' 127' ' ' TYR . 0.4 OUTLIER -79.1 -36.05 41.33 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.745 -0.782 . . . . 0.0 112.282 174.506 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . 0.49 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 8.8 t-20 -110.74 -11.08 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -168.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -141.21 71.84 27.21 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 169.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -47.05 170.11 0.05 OUTLIER 'Trans proline' 0 C--N 1.315 -1.191 0 C-N-CA 121.58 1.52 . . . . 0.0 111.667 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo . . . . . 0 C--N 1.29 -2.543 0 C-N-CA 122.462 2.108 . . . . 0.0 111.624 -179.88 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 mmm . . . . . 0 CA--C 1.549 0.942 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -91.02 138.22 31.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 126.881 2.613 . . . . 0.0 108.957 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.9 pt -131.23 162.98 38.29 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.03 140.2 49.5 Favored 'General case' 0 N--CA 1.513 2.683 1 O-C-N 130.566 4.916 . . . . 0.0 108.771 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -118.07 114.24 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.576 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.23 127.53 41.36 Favored 'General case' 0 N--CA 1.505 2.285 1 O-C-N 129.297 4.123 . . . . 0.0 107.874 -178.073 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.6 170.78 8.35 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.861 -1.066 . . . . 0.0 109.345 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.31 -7.08 50.04 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 124.133 0.895 . . . . 0.0 112.663 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 t -101.54 15.0 30.27 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 115.627 -2.429 . . . . 0.0 112.017 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.81 80.02 Favored Glycine 0 C--N 1.297 -1.585 0 O-C-N 120.181 -1.575 . . . . 0.0 116.047 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.54 138.08 34.66 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 174.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.7 p -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.582 2.426 . . . . 0.0 105.885 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mp -109.62 141.98 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 127.68 3.112 . . . . 0.0 108.851 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.6 t -101.43 139.66 36.79 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.177 -1.809 . . . . 0.0 108.207 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.36 154.16 43.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 115.452 -2.213 . . . . 0.0 108.322 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.84 121.0 43.87 Favored 'General case' 0 N--CA 1.498 1.942 1 O-C-N 129.173 4.046 . . . . 0.0 103.664 173.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.96 170.56 16.03 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 O-C-N 127.511 3.007 . . . . 0.0 111.227 -177.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -119.96 144.55 37.74 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 112.318 -2.219 . . . . 0.0 106.382 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -55.04 -24.21 39.07 Favored 'Trans proline' 0 C--N 1.319 -0.987 0 C-N-CA 122.448 2.098 . . . . 0.0 112.007 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 p -80.19 -8.01 59.23 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.886 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -71.04 148.4 47.61 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 117.409 -1.717 . . . . 0.0 109.782 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.834 HG21 ' H ' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -83.79 160.49 21.21 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.795 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.44 -37.01 76.77 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 O-C-N 127.139 2.774 . . . . 0.0 110.263 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' H ' HG23 ' A' ' 22' ' ' THR . 0.7 OUTLIER -57.66 -40.18 78.74 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.252 -0.905 . . . . 0.0 110.698 177.038 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.834 ' H ' HG21 ' A' ' 22' ' ' THR . 99.2 m-20 -68.31 -41.85 80.25 Favored 'General case' 0 C--O 1.263 1.804 0 O-C-N 121.959 -0.463 . . . . 0.0 110.982 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -46.46 88.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 O-C-N 124.379 1.049 . . . . 0.0 109.237 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HG2' ' CD ' ' A' ' 41' ' ' GLN . 17.7 mtpt -60.78 -37.93 83.57 Favored 'General case' 0 C--O 1.259 1.591 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.806 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.12 87.26 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 118.14 0.427 . . . . 0.0 111.065 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -64.19 -37.37 87.23 Favored 'General case' 0 C--O 1.255 1.363 0 O-C-N 120.484 -1.385 . . . . 0.0 110.703 176.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -70.03 -39.51 77.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -62.23 -48.73 78.69 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 125.492 2.567 . . . . 0.0 109.086 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.24 -41.76 65.74 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-N 113.534 -1.667 . . . . 0.0 111.98 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 7.0 tttt -93.57 -24.23 18.02 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -175.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -123.4 -6.41 8.19 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 123.08 2.673 . . . . 0.0 114.314 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.53 90.05 Favored Glycine 0 CA--C 1.476 -2.36 0 N-CA-C 119.004 2.362 . . . . 0.0 119.004 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 57.0 mt -79.78 124.71 83.3 Favored Pre-proline 0 C--O 1.244 0.799 0 C-N-CA 118.914 -1.114 . . . . 0.0 110.968 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 83.1 Cg_exo -56.97 136.94 79.62 Favored 'Trans proline' 0 C--O 1.257 1.462 0 C-N-CA 123.284 2.656 . . . . 0.0 110.778 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -57.26 -31.89 92.08 Favored 'Trans proline' 0 C--O 1.262 1.705 0 O-C-N 122.963 0.981 . . . . 0.0 113.645 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.5 -15.3 63.49 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.839 -1.788 . . . . 0.0 112.219 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -96.06 -10.22 28.96 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.77 -1.206 . . . . 0.0 111.999 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.412 ' CD ' ' HG2' ' A' ' 27' ' ' LYS . 4.9 tm0? -84.84 129.57 34.79 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 124.379 2.038 . . . . 0.0 115.767 -177.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 116.06 24.33 Favored 'General case' 0 C--O 1.298 3.653 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 171.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -103.46 130.17 50.76 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 119.495 1.043 . . . . 0.0 109.95 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -122.01 131.82 72.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 125.05 1.469 . . . . 0.0 111.987 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -144.33 129.56 18.73 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 46.03 19.82 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 112.25 -2.25 . . . . 0.0 110.743 177.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.72 21.67 61.0 Favored Glycine 0 N--CA 1.431 -1.659 0 C-N-CA 128.598 2.999 . . . . 0.0 117.538 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -115.11 142.83 46.12 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.82 130.25 34.6 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 103.769 -2.678 . . . . 0.0 103.769 174.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.41 138.08 37.5 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 117.605 -1.188 . . . . 0.0 110.272 -176.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.78 140.08 36.55 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 125.103 1.502 . . . . 0.0 109.934 -177.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -47.96 -42.53 27.8 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.783 3.623 . . . . 0.0 120.783 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.79 85.57 Favored Glycine 0 CA--C 1.49 -1.508 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -85.54 165.44 17.09 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 119.811 -1.994 . . . . 0.0 107.952 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.4 p -104.52 164.88 11.43 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -35.93 79.56 Favored 'General case' 0 C--O 1.203 -1.358 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -64.19 -29.46 70.57 Favored 'General case' 0 C--O 1.267 1.996 0 C-N-CA 117.247 -1.781 . . . . 0.0 112.216 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.48 -39.64 70.66 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 122.476 1.131 . . . . 0.0 110.683 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -90.76 4.72 50.84 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 117.701 -1.142 . . . . 0.0 113.064 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t30 58.12 45.16 18.07 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 121.583 1.992 . . . . 0.0 111.184 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.9 mt -88.75 116.51 30.53 Favored 'Isoleucine or valine' 0 C--O 1.267 2.017 0 CA-C-O 115.152 -2.356 . . . . 0.0 106.202 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -103.52 169.76 8.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 126.093 2.121 . . . . 0.0 109.289 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -54.92 142.89 27.95 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.274 1.511 . . . . 0.0 109.076 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.09 19.22 10.49 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -71.19 159.58 34.4 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 t -119.2 126.8 52.4 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 118.12 -0.943 . . . . 0.0 108.834 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mt -103.21 154.54 19.22 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 114.82 -2.514 . . . . 0.0 105.62 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -105.58 135.61 46.68 Favored 'General case' 0 C--N 1.288 -2.106 0 O-C-N 127.323 2.889 . . . . 0.0 105.888 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.84 115.84 30.88 Favored 'General case' 0 C--O 1.284 2.896 0 CA-C-O 117.636 -1.174 . . . . 0.0 111.454 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.7 t -108.12 139.91 28.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 103.574 -2.75 . . . . 0.0 103.574 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mp -96.14 138.95 33.0 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.302 0.572 . . . . 0.0 109.816 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 . . . . . 0 C--N 1.279 -2.491 0 CA-C-O 113.141 -3.314 . . . . 0.0 105.533 178.563 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.01 138.47 31.58 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 127.194 2.809 . . . . 0.0 108.83 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.11 163.02 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 CA-C-O 115.788 -2.053 . . . . 0.0 105.907 173.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -115.97 140.19 49.5 Favored 'General case' 0 N--CA 1.513 2.715 1 O-C-N 130.568 4.918 . . . . 0.0 108.57 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -117.96 114.1 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.794 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 127.57 41.22 Favored 'General case' 0 N--CA 1.502 2.148 1 O-C-N 129.171 4.044 . . . . 0.0 108.245 -178.15 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.2 p -99.51 170.83 8.33 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 117.795 -1.098 . . . . 0.0 109.238 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.4 -7.05 50.07 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.085 0.865 . . . . 0.0 112.806 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.1 14.72 31.06 Favored 'General case' 0 N--CA 1.506 2.326 0 C-N-CA 115.74 -2.384 . . . . 0.0 112.028 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.48 16.7 80.05 Favored Glycine 0 C--N 1.295 -1.699 0 O-C-N 120.202 -1.561 . . . . 0.0 116.069 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.16 137.87 34.6 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -119.91 131.85 55.35 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 126.409 2.318 . . . . 0.0 106.199 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.1 mm -109.42 141.77 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 127.794 3.184 . . . . 0.0 109.104 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.4 m -101.15 139.86 36.25 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 117.01 -1.876 . . . . 0.0 108.377 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.51 154.06 44.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 115.6 -2.143 . . . . 0.0 108.352 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.77 121.16 44.33 Favored 'General case' 0 N--CA 1.495 1.821 1 O-C-N 129.16 4.038 . . . . 0.0 103.543 174.049 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.05 170.57 15.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 O-C-N 127.841 3.213 . . . . 0.0 111.246 -177.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -120.01 144.62 37.99 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-N 112.158 -2.292 . . . . 0.0 106.328 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.95 -24.69 40.53 Favored 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 122.702 2.268 . . . . 0.0 111.523 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -8.34 59.19 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 121.154 -0.967 . . . . 0.0 110.99 -177.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.89 148.56 47.65 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 117.302 -1.759 . . . . 0.0 109.803 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.1 p -84.0 160.52 21.0 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 175.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.41 -36.77 75.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 126.899 2.624 . . . . 0.0 110.385 175.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -42.93 77.76 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 120.405 -1.434 . . . . 0.0 110.966 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -44.64 90.86 Favored 'General case' 0 C--O 1.25 1.107 0 C-N-CA 124.305 1.042 . . . . 0.0 111.442 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.53 -46.33 89.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.997 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.448 ' O ' HG22 ' B' ' 30' ' ' ILE . 74.8 mttt -60.77 -37.96 83.65 Favored 'General case' 0 C--O 1.254 1.335 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.845 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.07 87.13 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 123.495 0.497 . . . . 0.0 111.379 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -64.03 -37.41 87.33 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-O 122.959 1.361 . . . . 0.0 110.81 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.448 HG22 ' O ' ' B' ' 27' ' ' LYS . 1.8 tp -69.75 -39.73 78.31 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.9 -48.87 78.54 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-O 125.597 2.618 . . . . 0.0 109.038 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -41.84 66.38 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-N 113.687 -1.597 . . . . 0.0 111.821 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 10.7 tttt -93.37 -24.35 18.12 Favored 'General case' 0 C--O 1.28 2.683 0 N-CA-C 117.184 2.29 . . . . 0.0 117.184 -175.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -123.64 -6.33 8.06 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 122.959 2.618 . . . . 0.0 113.855 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.91 5.7 89.93 Favored Glycine 0 CA--C 1.476 -2.363 0 N-CA-C 118.708 2.243 . . . . 0.0 118.708 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 0.9 OUTLIER -79.88 125.07 82.84 Favored Pre-proline 0 C--O 1.241 0.641 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.075 179.593 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 86.6 Cg_exo -57.27 137.14 80.32 Favored 'Trans proline' 0 C--O 1.255 1.333 0 C-N-CA 122.829 2.352 . . . . 0.0 110.844 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -57.25 -32.31 93.27 Favored 'Trans proline' 0 C--O 1.261 1.65 0 O-C-N 123.046 1.024 . . . . 0.0 113.287 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -68.21 -15.58 63.63 Favored 'General case' 0 C--O 1.264 1.843 0 O-C-N 119.981 -1.699 . . . . 0.0 112.236 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.825 ' O ' HD22 ' B' ' 71' ' ' LEU . 0.2 OUTLIER -95.47 -10.54 29.52 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 120.557 -1.34 . . . . 0.0 112.324 178.367 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -84.87 129.74 34.76 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.23 1.967 . . . . 0.0 115.791 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.6 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 0.9 OUTLIER -121.24 115.99 24.04 Favored 'General case' 0 C--O 1.298 3.656 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.28 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 tp -103.51 130.27 50.86 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 119.563 1.074 . . . . 0.0 110.048 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.55 HG23 ' O ' ' B' ' 68' ' ' HIS . 0.1 OUTLIER -122.02 131.65 72.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 O-C-N 125.112 1.507 . . . . 0.0 111.987 -177.509 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -144.23 129.69 18.96 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.25 45.99 20.0 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 112.053 -2.339 . . . . 0.0 110.618 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 20.23 59.47 Favored Glycine 0 C--N 1.298 -1.554 0 C-N-CA 128.229 2.823 . . . . 0.0 117.379 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -109.89 143.78 39.31 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 115.344 -2.265 . . . . 0.0 111.0 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -87.12 130.31 34.57 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 104.026 -2.583 . . . . 0.0 104.026 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.64 138.43 37.4 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.151 -175.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.97 140.06 36.77 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 125.209 1.568 . . . . 0.0 109.911 -177.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -48.37 -41.95 30.21 Favored 'General case' 0 C--O 1.263 1.812 0 N-CA-C 120.748 3.61 . . . . 0.0 120.748 -175.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.21 -8.58 85.18 Favored Glycine 0 N--CA 1.477 1.385 0 N-CA-C 115.976 1.151 . . . . 0.0 115.976 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -85.57 165.31 17.17 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 120.132 -1.805 . . . . 0.0 108.019 176.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 8.1 p -104.22 164.48 11.69 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 176.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -36.28 79.38 Favored 'General case' 0 C--O 1.201 -1.478 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.8 p -63.68 -29.81 70.99 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 117.301 -1.76 . . . . 0.0 112.226 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -39.01 70.21 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 122.568 1.175 . . . . 0.0 110.843 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -91.18 4.58 51.88 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.611 -1.185 . . . . 0.0 112.878 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.88 45.43 18.41 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-N 121.672 2.033 . . . . 0.0 111.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 6.9 mt -88.78 116.29 30.16 Favored 'Isoleucine or valine' 0 C--O 1.271 2.19 0 CA-C-O 115.019 -2.419 . . . . 0.0 106.273 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.31 169.56 8.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 126.128 2.143 . . . . 0.0 109.677 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 142.98 28.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.093 1.425 . . . . 0.0 109.272 -176.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 67.05 19.04 10.56 Favored 'General case' 0 C--O 1.257 1.461 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -71.1 159.52 34.55 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.1 m -118.98 126.59 52.1 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 118.236 -0.888 . . . . 0.0 108.809 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.1 154.62 19.1 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.666 -2.588 . . . . 0.0 105.794 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.55 ' O ' HG23 ' B' ' 44' ' ' ILE . 10.3 t60 -105.62 135.8 46.37 Favored 'General case' 0 C--N 1.283 -2.323 0 O-C-N 127.597 3.061 . . . . 0.0 105.643 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 tt -107.1 115.68 30.6 Favored 'General case' 0 C--O 1.284 2.884 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.433 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -108.04 139.9 28.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 103.483 -2.784 . . . . 0.0 103.483 175.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.981 ' C ' HD23 ' B' ' 71' ' ' LEU . 0.1 OUTLIER -96.14 -83.41 0.37 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.053 0.454 . . . . 0.0 109.849 178.382 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.578 ' N ' HD23 ' B' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.534 0 CA-C-O 113.418 -3.182 . . . . 0.0 105.395 177.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.673 0.749 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -89.0 137.87 31.92 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.583 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.18 -39.65 75.12 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.66 0.743 . . . . 0.0 111.8 172.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -144.36 136.13 21.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.154 1.382 . . . . 0.0 107.375 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.35 148.09 34.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 119.674 -0.81 . . . . 0.0 110.477 165.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -161.02 155.2 22.85 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.182 0.926 . . . . 0.0 111.238 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -72.3 127.88 33.91 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.181 -1.372 . . . . 0.0 112.309 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.23 147.65 6.66 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.111 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.85 25.2 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -109.17 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 20.0 mtt -137.16 161.0 37.34 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 3.0 m -136.6 156.57 48.39 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.804 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.32 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.324 -1.911 . . . . 0.0 108.324 -169.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.56 18.45 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.374 -0.413 . . . . 0.0 109.969 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.96 122.62 48.27 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.2 120.06 25.5 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -124.09 119.37 26.53 Favored Pre-proline 0 C--O 1.244 0.815 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.141 -173.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.9 134.75 58.79 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-O 122.348 0.895 . . . . 0.0 111.855 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.7 132.2 34.19 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 172.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.03 -11.18 59.58 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -172.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 144.33 56.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -173.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -68.08 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 171.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . 0.451 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.31 171.29 21.55 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.266 1.481 . . . . 0.0 115.311 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.46 124.4 36.09 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 175.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 77.3 t -90.97 137.54 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 164.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -151.88 157.8 42.35 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.973 0.892 . . . . 0.0 112.999 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 5.9 mt -118.83 131.03 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.559 -1.655 . . . . 0.0 108.351 174.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -133.97 137.66 44.95 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -100.2 122.08 42.46 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.04 171.15 13.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.296 177.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -71.66 -10.37 59.67 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -170.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.64 7.35 14.99 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.264 -0.174 . . . . 0.0 110.994 170.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 14.7 t 73.84 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.45 1.5 . . . . 0.0 114.713 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 73.6 mt -74.89 149.96 39.32 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.21 -0.996 . . . . 0.0 113.087 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.25 129.03 54.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.145 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 28.0 m80 -117.54 125.29 50.57 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -98.74 118.99 36.72 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -127.71 156.86 41.72 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.48 128.26 40.88 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 113.505 -1.679 . . . . 0.0 108.723 169.314 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.63 134.32 55.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.782 -176.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -74.26 115.32 13.63 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 173.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -64.06 -32.35 73.87 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 72.5 p -72.56 -46.15 55.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 48.4 t -91.45 -20.5 21.7 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.535 -176.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.67 2.6 60.97 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 119.685 -0.508 . . . . 0.0 113.671 -171.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.51 130.01 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.685 1.242 . . . . 0.0 113.173 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -94.54 -28.84 15.21 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.913 -171.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.0 135.57 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.903 0.859 . . . . 0.0 109.386 177.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.02 103.37 2.39 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.06 123.24 45.15 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.253 -174.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 3.4 mp -75.87 124.3 33.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.434 1.112 . . . . 0.0 111.661 168.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -123.04 130.28 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.372 0 CA-C-N 114.581 -1.19 . . . . 0.0 109.613 -174.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -101.2 158.91 30.89 Favored Pre-proline 0 C--O 1.241 0.652 0 O-C-N 124.45 1.093 . . . . 0.0 110.905 173.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.24 133.85 57.78 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.949 2.432 . . . . 0.0 111.327 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.81 5.89 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -70.37 -33.66 71.69 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.986 0.812 . . . . 0.0 109.56 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 168.12 27.98 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.441 -1.304 . . . . 0.0 113.601 -173.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.42 139.32 46.68 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.434 -1.712 . . . . 0.0 106.973 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -106.71 124.26 49.35 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.58 156.49 42.49 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.82 142.84 56.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.35 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . 0.409 ' HB ' HG22 ' C' ' 93' ' ' VAL . 4.4 t -94.32 98.33 2.89 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 171.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -60.92 -31.99 92.09 Favored 'Trans proline' 0 C--N 1.329 -0.451 0 N-CA-C 117.816 2.199 . . . . 0.0 117.816 -167.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -91.0 8.53 34.83 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.972 -1.491 . . . . 0.0 112.306 -164.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . 0.488 ' HB3' HG23 ' C' ' 93' ' ' VAL . 8.8 t -85.04 119.66 72.76 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.0 -19.85 34.29 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.403 -173.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -65.48 -34.64 78.76 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.501 0.591 . . . . 0.0 110.092 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.41 13.07 64.7 Favored Glycine 0 CA--C 1.505 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.569 -172.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -120.92 17.0 11.78 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . 0.488 HG23 ' HB3' ' C' ' 88' ' ' CYS . 3.1 m -97.08 133.48 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' C' ' 109' ' ' MET . 1.0 OUTLIER -125.05 151.76 45.2 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 125.551 1.782 . . . . 0.0 110.402 178.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.04 135.43 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 tp -95.48 108.07 20.28 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -109.19 125.26 52.03 Favored 'General case' 0 CA--C 1.485 -1.525 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -171.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -84.79 115.65 22.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.122 0.888 . . . . 0.0 109.262 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -63.39 -25.12 68.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.447 -169.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.29 115.19 28.9 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . 0.6 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.93 172.38 27.69 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -172.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.45 9.15 33.02 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 122.04 -0.682 . . . . 0.0 110.562 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.76 129.21 38.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.876 -1.53 . . . . 0.0 110.593 -165.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.02 141.79 46.25 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.908 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.8 mt -124.54 126.21 45.46 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.91 143.62 30.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.306 -177.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -137.04 156.75 48.03 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.297 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -131.5 126.63 35.45 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.372 175.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 109' ' ' MET . . . . . 0.479 ' HB2' ' CE2' ' C' ' 94' ' ' TYR . 54.3 tpp -62.73 137.75 58.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.257 -174.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -118.86 4.05 11.52 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.256 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.33 135.92 93.92 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.099 1.428 . . . . 0.0 108.623 172.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.25 -41.43 42.37 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 146.93 24.22 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 121.115 0.484 . . . . 0.0 110.532 173.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 12.3 t -83.47 -9.26 59.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.187 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.18 5.73 37.91 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -174.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -56.85 -48.78 77.28 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.352 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -32.21 70.55 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.313 -0.955 . . . . 0.0 110.593 -173.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -67.35 -43.99 80.13 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -55.62 -45.87 77.45 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.985 -1.072 . . . . 0.0 112.322 173.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 36.3 t -60.58 -43.08 97.73 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.676 0.751 . . . . 0.0 110.333 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.9 -43.48 98.75 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.128 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -42.27 96.6 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 29.6 t -52.37 -51.87 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.408 175.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -60.31 -39.51 87.27 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -46.01 81.92 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.429 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -78.97 -24.49 43.8 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 119.502 -0.879 . . . . 0.0 112.412 -174.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.504 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.03 -36.13 41.56 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.78 -0.768 . . . . 0.0 112.245 174.519 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . 0.504 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 19.7 t-20 -110.74 -11.04 14.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -168.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -141.26 71.88 26.96 Favored Pre-proline 0 N--CA 1.467 0.413 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 169.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -79.34 171.48 15.99 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.63 1.553 . . . . 0.0 111.577 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 C--N 1.292 -2.446 0 C-N-CA 122.51 2.14 . . . . 0.0 111.576 179.709 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.17 138.21 31.77 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 126.823 2.577 . . . . 0.0 108.882 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.27 163.08 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.362 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.93 140.26 49.42 Favored 'General case' 0 N--CA 1.513 2.721 1 O-C-N 130.514 4.883 . . . . 0.0 108.774 179.672 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.8 t -118.09 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-O 113.397 -3.192 . . . . 0.0 105.634 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.23 127.53 41.35 Favored 'General case' 0 N--CA 1.505 2.306 1 O-C-N 129.304 4.128 . . . . 0.0 107.892 -178.081 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -99.66 170.79 8.33 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.896 -1.049 . . . . 0.0 109.324 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.31 -7.04 49.89 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 124.104 0.878 . . . . 0.0 112.697 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.51 14.95 30.4 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.686 -2.406 . . . . 0.0 112.04 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.8 80.03 Favored Glycine 0 C--N 1.298 -1.56 0 O-C-N 120.158 -1.588 . . . . 0.0 115.972 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.5 138.1 34.58 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 p -119.95 131.69 55.27 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 126.683 2.489 . . . . 0.0 105.916 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.59 142.01 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 127.639 3.087 . . . . 0.0 108.831 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 t -101.47 139.67 36.8 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 117.142 -1.823 . . . . 0.0 108.098 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -126.38 154.08 44.06 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.327 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -111.83 121.0 43.87 Favored 'General case' 0 N--CA 1.5 2.059 1 O-C-N 129.287 4.117 . . . . 0.0 103.627 173.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.92 170.64 15.96 Favored 'Isoleucine or valine' 0 C--O 1.254 1.33 0 O-C-N 127.558 3.036 . . . . 0.0 111.22 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 144.49 37.75 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 112.338 -2.21 . . . . 0.0 106.335 174.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -54.83 -24.51 38.81 Favored 'Trans proline' 0 C--N 1.322 -0.848 0 C-N-CA 122.537 2.158 . . . . 0.0 111.987 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -79.91 -8.17 59.17 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.962 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.99 148.42 47.67 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 117.497 -1.681 . . . . 0.0 109.814 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.76 160.5 21.24 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 175.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 mm -61.47 -37.05 76.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 O-C-N 127.168 2.792 . . . . 0.0 110.235 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -57.57 -40.16 78.36 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.344 -0.847 . . . . 0.0 110.753 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.28 -41.98 80.22 Favored 'General case' 0 C--O 1.262 1.724 0 O-C-N 121.857 -0.527 . . . . 0.0 110.948 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.15 -46.46 88.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 O-C-N 124.453 1.096 . . . . 0.0 109.167 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -60.92 -37.81 83.6 Favored 'General case' 0 C--O 1.258 1.543 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.717 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.01 86.65 Favored 'General case' 0 C--O 1.276 2.485 0 CA-C-N 118.132 0.424 . . . . 0.0 111.099 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.11 -37.52 87.74 Favored 'General case' 0 C--O 1.254 1.333 0 CA-C-O 123.074 1.416 . . . . 0.0 110.712 176.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.94 -39.53 77.63 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -62.22 -48.71 78.79 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 125.574 2.607 . . . . 0.0 109.118 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -53.26 -41.72 65.78 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.378 -1.737 . . . . 0.0 111.949 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 3.4 tptm -93.59 -24.22 18.01 Favored 'General case' 0 C--O 1.281 2.755 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.48 -6.44 8.14 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.132 2.696 . . . . 0.0 114.173 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.66 89.99 Favored Glycine 0 CA--C 1.478 -2.254 0 N-CA-C 118.855 2.302 . . . . 0.0 118.855 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.1 mt -79.79 124.77 83.24 Favored Pre-proline 0 C--O 1.244 0.786 0 C-N-CA 118.841 -1.144 . . . . 0.0 110.972 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 84.0 Cg_exo -56.91 136.81 78.73 Favored 'Trans proline' 0 C--O 1.259 1.541 0 C-N-CA 123.305 2.67 . . . . 0.0 110.825 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.1 -32.04 92.12 Favored 'Trans proline' 0 C--O 1.264 1.795 0 O-C-N 122.984 0.992 . . . . 0.0 113.568 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -68.49 -15.37 63.52 Favored 'General case' 0 C--O 1.261 1.669 0 O-C-N 119.87 -1.769 . . . . 0.0 112.169 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.95 -10.25 29.15 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.596 -1.315 . . . . 0.0 112.054 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -84.99 129.69 34.75 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 124.425 2.059 . . . . 0.0 115.669 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 116.04 24.28 Favored 'General case' 0 C--O 1.299 3.683 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 171.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.1 mt -103.59 130.22 50.98 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 119.597 1.09 . . . . 0.0 109.889 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.424 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -122.03 131.86 72.22 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 O-C-N 125.066 1.479 . . . . 0.0 111.923 -177.558 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -144.41 129.57 18.65 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.21 46.06 19.88 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 112.257 -2.247 . . . . 0.0 110.735 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.71 21.65 60.95 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.564 2.983 . . . . 0.0 117.481 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -114.96 142.82 46.09 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -85.93 130.25 34.6 Favored 'General case' 0 C--O 1.257 1.479 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.44 137.99 37.44 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.206 -176.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.7 140.03 36.54 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.058 1.474 . . . . 0.0 110.02 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -47.9 -42.42 26.91 Favored 'General case' 0 C--O 1.264 1.831 0 N-CA-C 120.779 3.622 . . . . 0.0 120.779 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.78 -8.91 85.29 Favored Glycine 0 CA--C 1.49 -1.481 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -85.46 165.34 17.24 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 119.775 -2.015 . . . . 0.0 107.96 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 2.1 p -104.45 164.81 11.48 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mp -61.54 -36.04 79.46 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -29.4 70.52 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 117.253 -1.779 . . . . 0.0 112.231 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -39.57 70.68 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.46 1.124 . . . . 0.0 110.716 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -90.78 4.59 51.23 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 117.619 -1.182 . . . . 0.0 112.969 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 58.1 45.23 18.02 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 121.559 1.981 . . . . 0.0 111.188 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -88.69 116.57 30.59 Favored 'Isoleucine or valine' 0 C--O 1.266 1.944 0 CA-C-O 115.115 -2.374 . . . . 0.0 106.192 175.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.63 169.71 8.37 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 126.151 2.157 . . . . 0.0 109.326 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.86 142.95 27.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.262 1.506 . . . . 0.0 109.045 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 67.01 19.13 10.59 Favored 'General case' 0 C--O 1.255 1.379 0 N-CA-C 117.976 2.584 . . . . 0.0 117.976 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.15 159.5 34.57 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.1 126.79 52.47 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 118.19 -0.91 . . . . 0.0 108.814 175.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.18 154.56 19.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 114.685 -2.579 . . . . 0.0 105.583 175.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -105.63 135.66 46.62 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 127.474 2.984 . . . . 0.0 105.817 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tt -106.89 115.81 30.83 Favored 'General case' 0 C--O 1.286 2.978 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.478 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.0 t -107.99 139.96 28.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 174.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.2 138.93 33.09 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.342 0.591 . . . . 0.0 109.735 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 . . . . . 0 C--N 1.279 -2.496 0 CA-C-O 113.171 -3.299 . . . . 0.0 105.601 178.569 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -90.9 138.43 31.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 127.154 2.784 . . . . 0.0 108.837 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.13 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-O 115.85 -2.024 . . . . 0.0 105.907 173.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 1.347 ' HD1' ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -115.99 140.17 49.53 Favored 'General case' 0 N--CA 1.515 2.788 1 O-C-N 130.521 4.888 . . . . 0.0 108.593 179.75 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.476 ' N ' ' CD1' ' B' ' 4' ' ' PHE . 38.4 t -117.96 114.05 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.755 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.859 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.06 127.62 41.26 Favored 'General case' 0 N--CA 1.502 2.161 1 O-C-N 129.193 4.058 . . . . 0.0 108.164 -178.135 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.54 170.73 8.39 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.708 -1.139 . . . . 0.0 109.372 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.29 -6.99 49.61 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 124.101 0.876 . . . . 0.0 112.937 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.19 14.8 30.83 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 115.637 -2.425 . . . . 0.0 111.988 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.6 80.17 Favored Glycine 0 C--N 1.296 -1.687 0 O-C-N 120.351 -1.468 . . . . 0.0 116.074 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.14 137.93 34.49 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 174.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.9 131.9 55.38 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 126.39 2.306 . . . . 0.0 106.206 176.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -109.53 141.82 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 127.771 3.17 . . . . 0.0 109.05 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.0 p -101.17 139.94 36.16 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 116.939 -1.904 . . . . 0.0 108.392 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.58 154.02 44.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 115.515 -2.183 . . . . 0.0 108.356 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.78 121.12 44.22 Favored 'General case' 0 N--CA 1.496 1.825 1 O-C-N 129.212 4.07 . . . . 0.0 103.536 174.064 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.07 170.55 15.94 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 O-C-N 127.769 3.168 . . . . 0.0 111.219 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -119.99 144.58 37.87 Favored Pre-proline 0 C--N 1.312 -1.049 0 CA-C-N 112.093 -2.321 . . . . 0.0 106.315 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -54.93 -24.67 40.24 Favored 'Trans proline' 0 C--N 1.318 -1.059 0 C-N-CA 122.563 2.175 . . . . 0.0 111.505 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.6 t -79.87 -8.24 59.18 Favored 'General case' 0 C--O 1.242 0.711 0 O-C-N 121.139 -0.975 . . . . 0.0 110.935 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.98 148.49 47.61 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.409 -1.716 . . . . 0.0 109.737 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.491 ' O ' HG13 ' B' ' 26' ' ' VAL . 2.6 p -83.92 160.5 21.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.592 ' O ' HG21 ' B' ' 26' ' ' VAL . 1.4 mp -61.43 -36.73 75.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 126.853 2.596 . . . . 0.0 110.41 175.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.78 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.22 -42.89 77.96 Favored 'General case' 0 C--O 1.253 1.268 0 O-C-N 120.481 -1.387 . . . . 0.0 110.952 176.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -64.38 -44.64 90.73 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 124.237 1.015 . . . . 0.0 111.433 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.592 HG21 ' O ' ' B' ' 23' ' ' ILE . 0.9 OUTLIER -58.51 -46.39 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.282 -1.326 . . . . 0.0 108.893 179.004 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 31.4 mtmt -60.66 -38.12 83.83 Favored 'General case' 0 C--O 1.255 1.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.816 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.21 -37.98 86.86 Favored 'General case' 0 C--O 1.278 2.568 0 O-C-N 123.471 0.482 . . . . 0.0 111.391 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -63.93 -37.54 87.78 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 120.45 -1.407 . . . . 0.0 110.816 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -69.69 -39.74 78.46 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.95 -48.85 78.52 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 125.572 2.605 . . . . 0.0 108.995 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -41.81 66.07 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 113.566 -1.652 . . . . 0.0 111.906 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.327 1.7 mttt -93.31 -24.46 18.12 Favored 'General case' 0 C--O 1.28 2.709 0 N-CA-C 117.213 2.301 . . . . 0.0 117.213 -175.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -123.68 -6.33 8.04 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 122.933 2.606 . . . . 0.0 113.767 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.67 89.99 Favored Glycine 0 CA--C 1.475 -2.409 0 N-CA-C 118.782 2.273 . . . . 0.0 118.782 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 62.7 mt -79.95 125.03 82.79 Favored Pre-proline 0 C--O 1.241 0.632 0 C-N-CA 118.759 -1.176 . . . . 0.0 111.022 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 84.6 Cg_exo -57.17 137.03 79.97 Favored 'Trans proline' 0 C--O 1.256 1.402 0 C-N-CA 122.93 2.42 . . . . 0.0 110.876 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -57.22 -32.27 93.06 Favored 'Trans proline' 0 C--O 1.26 1.609 0 O-C-N 123.044 1.023 . . . . 0.0 113.342 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.24 -15.57 63.63 Favored 'General case' 0 C--O 1.264 1.855 0 O-C-N 120.089 -1.632 . . . . 0.0 112.281 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.662 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 16.2 mm100 -95.44 -10.62 29.38 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.505 -1.372 . . . . 0.0 112.252 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -84.91 129.61 34.78 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 124.287 1.994 . . . . 0.0 115.7 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -121.14 116.09 24.31 Favored 'General case' 0 C--O 1.298 3.634 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 172.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.5 130.32 50.85 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.487 1.039 . . . . 0.0 109.975 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mt -121.99 131.62 72.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 O-C-N 125.075 1.484 . . . . 0.0 112.07 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -144.27 129.88 19.1 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.9 19.6 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 111.889 -2.414 . . . . 0.0 110.71 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.93 20.24 59.78 Favored Glycine 0 C--N 1.298 -1.533 0 C-N-CA 128.159 2.79 . . . . 0.0 117.274 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -109.93 143.76 39.4 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 115.329 -2.272 . . . . 0.0 110.953 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' B' ' 49' ' ' GLN . 3.3 pm0 -87.07 130.46 34.48 Favored 'General case' 0 C--N 1.28 -2.451 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 173.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -79.7 138.4 37.33 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 117.631 -1.176 . . . . 0.0 110.055 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -101.9 139.93 36.87 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 125.211 1.569 . . . . 0.0 109.976 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.78 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.7 OUTLIER -48.19 -42.01 28.69 Favored 'General case' 0 C--O 1.262 1.711 0 N-CA-C 120.813 3.634 . . . . 0.0 120.813 -175.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.32 -8.42 85.23 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 115.989 1.155 . . . . 0.0 115.989 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -85.64 165.38 17.05 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.13 -1.806 . . . . 0.0 107.998 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 10.2 p -104.42 164.49 11.7 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.06 -36.35 79.37 Favored 'General case' 0 C--O 1.199 -1.554 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.5 p -63.61 -29.89 71.07 Favored 'General case' 0 C--O 1.266 1.95 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.243 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.64 -39.07 70.38 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 122.506 1.146 . . . . 0.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -91.04 4.4 52.2 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.553 -1.213 . . . . 0.0 112.887 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.02 45.4 18.0 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 121.695 2.043 . . . . 0.0 111.242 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.3 mt -88.79 116.22 30.05 Favored 'Isoleucine or valine' 0 C--O 1.27 2.15 0 CA-C-O 115.045 -2.407 . . . . 0.0 106.273 175.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -103.33 169.57 8.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 126.088 2.117 . . . . 0.0 109.703 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.81 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 123.236 1.493 . . . . 0.0 109.26 -176.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.1 18.96 10.5 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 117.857 2.54 . . . . 0.0 117.857 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -71.06 159.55 34.52 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.615 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 0.6 OUTLIER -119.03 126.62 52.13 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 118.263 -0.875 . . . . 0.0 108.833 175.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.477 ' O ' ' HE1' ' B' ' 4' ' ' PHE . 10.1 mp -103.17 154.63 19.11 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 114.654 -2.593 . . . . 0.0 105.732 175.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -105.67 135.76 46.5 Favored 'General case' 0 C--N 1.282 -2.347 0 O-C-N 127.608 3.068 . . . . 0.0 105.71 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.07 115.81 30.83 Favored 'General case' 0 C--O 1.283 2.828 0 CA-C-O 117.617 -1.183 . . . . 0.0 111.491 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 91.2 t -108.15 139.91 28.59 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 103.495 -2.779 . . . . 0.0 103.495 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.662 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.37 0.37 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.119 0.485 . . . . 0.0 109.836 178.499 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.631 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.277 -2.574 0 CA-C-O 113.324 -3.227 . . . . 0.0 105.555 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 CA--C 1.51 -0.596 0 CA-C-O 121.64 0.734 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -89.09 137.86 31.94 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.552 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.2 -39.56 75.1 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.614 0.721 . . . . 0.0 111.881 172.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.4 136.14 21.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.423 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.31 148.07 34.32 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.512 165.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -161.08 155.22 22.77 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.245 0.966 . . . . 0.0 111.213 173.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.2 127.8 33.68 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.33 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.2 147.69 6.71 Favored 'General case' 0 C--O 1.251 1.135 0 CA-C-O 122.067 0.936 . . . . 0.0 110.045 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.95 164.83 25.19 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.13 -179.17 3.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 14.0 mtt -137.17 161.03 37.28 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -136.59 156.53 48.44 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.146 -1.422 . . . . 0.0 108.765 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.75 116.14 28.75 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.28 -116.09 8.67 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -113.91 14.46 18.52 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.332 -0.434 . . . . 0.0 109.944 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p -111.96 122.49 47.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.13 120.02 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 17.9 m -124.05 119.38 26.58 Favored Pre-proline 0 C--O 1.244 0.815 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.141 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.99 134.85 59.05 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 117.879 -0.948 . . . . 0.0 111.872 173.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -85.62 132.13 34.22 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 172.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.91 -11.29 59.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.0 144.37 56.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -173.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 125.57 26.77 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 171.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.17 21.6 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.338 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -128.34 124.35 36.23 Favored 'General case' 0 N--CA 1.422 -1.841 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -90.94 137.52 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 164.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -151.97 157.78 42.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 122.067 0.937 . . . . 0.0 112.951 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 82.2 mt -118.79 131.06 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 113.455 -1.702 . . . . 0.0 108.417 174.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -134.02 137.69 44.89 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -100.21 122.13 42.53 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 170.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -84.09 171.18 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.204 0.526 . . . . 0.0 111.276 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.56 -10.46 59.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.7 7.4 15.0 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.255 -0.178 . . . . 0.0 110.99 171.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 73.91 -1.32 3.1 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.419 1.488 . . . . 0.0 114.647 -177.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 35.0 mt -74.95 149.97 39.2 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 119.197 -1.001 . . . . 0.0 113.007 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 mp -102.18 129.09 54.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.147 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 19.1 m80 -117.61 125.26 50.44 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.72 119.0 36.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 60.3 m -127.74 156.83 41.81 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -171.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . 0.435 ' CH2' ' CZ ' ' C' ' 107' ' ' PHE . 1.9 m-90 -130.36 128.25 41.05 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.778 169.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -120.66 134.42 55.28 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.749 -176.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.32 115.35 13.74 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -32.47 74.02 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 76.6 p -72.51 -46.11 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -175.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.41 -20.58 21.64 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.54 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.65 2.66 61.03 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.63 -0.539 . . . . 0.0 113.686 -171.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.44 130.0 39.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.718 1.259 . . . . 0.0 113.195 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -94.54 -28.83 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.931 -171.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -121.99 135.55 54.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.838 0.828 . . . . 0.0 109.415 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -155.01 103.32 2.39 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 104.445 -2.428 . . . . 0.0 104.445 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.03 123.25 45.22 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.347 -174.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 6.7 mt -75.83 124.23 33.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.456 1.122 . . . . 0.0 111.684 168.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 46.0 mm -122.98 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.43 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.613 -174.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -101.24 158.95 30.81 Favored Pre-proline 0 C--O 1.242 0.671 0 O-C-N 124.338 1.024 . . . . 0.0 110.888 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.35 133.86 58.22 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.9 2.4 . . . . 0.0 111.353 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.6 6.79 5.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 116.639 2.089 . . . . 0.0 116.639 -175.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . 0.7 ' O ' ' HD2' ' C' ' 98' ' ' PHE . 3.4 m-20 -70.34 -33.67 71.76 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.032 0.833 . . . . 0.0 109.58 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 18.0 p -154.94 168.16 27.9 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 118.424 -1.31 . . . . 0.0 113.612 -173.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -133.37 139.34 46.75 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.494 -1.684 . . . . 0.0 106.998 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . 0.442 ' CE2' ' HB3' ' C' ' 94' ' ' TYR . 4.9 t80 -106.8 124.25 49.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -148.54 156.47 42.48 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -67.83 142.81 56.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.392 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.15 98.3 2.79 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 171.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.06 -31.92 91.34 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 N-CA-C 117.717 2.16 . . . . 0.0 117.717 -167.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -91.05 8.51 35.08 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.968 -1.493 . . . . 0.0 112.217 -164.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.08 119.73 72.79 Favored Pre-proline 0 CA--C 1.514 -0.413 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -57.0 -19.86 34.36 Favored 'Trans proline' 0 C--N 1.347 0.484 0 O-C-N 122.929 0.963 . . . . 0.0 114.43 -173.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.51 -34.66 78.78 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.437 0.562 . . . . 0.0 110.069 177.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.52 13.04 64.94 Favored Glycine 0 CA--C 1.506 -0.491 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.546 -172.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -120.97 17.1 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.296 1.962 . . . . 0.0 116.296 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 73.3 t -96.98 133.39 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . 0.442 ' HB3' ' CE2' ' C' ' 82' ' ' PHE . 32.4 m-85 -125.02 151.74 45.19 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.479 1.737 . . . . 0.0 110.449 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -126.99 135.37 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.44 108.18 20.38 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 169.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -109.31 125.12 51.98 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -171.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.704 ' CD1' ' O ' ' C' ' 100' ' ' ALA . 9.1 t80 -84.71 115.64 22.8 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.141 0.9 . . . . 0.0 109.276 176.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -25.17 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.371 -169.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . 0.704 ' O ' ' CD1' ' C' ' 98' ' ' PHE . . . -111.32 115.15 28.83 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.91 172.33 27.7 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 -172.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.32 8.98 33.4 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.058 -0.672 . . . . 0.0 110.497 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.69 129.21 38.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.897 -1.521 . . . . 0.0 110.593 -165.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.02 141.81 46.25 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.919 175.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.53 126.16 45.38 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 171.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -100.87 143.63 30.79 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 124.701 1.251 . . . . 0.0 110.259 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . 0.435 ' CZ ' ' CH2' ' C' ' 61' ' ' TRP . 9.1 m-85 -137.0 156.71 48.09 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.314 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.54 126.56 35.2 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.387 175.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.66 137.74 58.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.224 -174.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -118.83 3.96 11.55 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.574 -1.193 . . . . 0.0 110.268 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.25 135.86 93.78 Favored Pre-proline 0 C--O 1.266 1.947 0 CA-C-O 123.163 1.458 . . . . 0.0 108.622 172.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.29 -41.37 42.48 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.61 -1.127 . . . . 0.0 112.419 -174.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -96.03 146.92 24.23 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.159 0.504 . . . . 0.0 110.501 173.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.5 m -83.42 -9.36 59.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.136 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.5 -33.83 55.82 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.483 0.713 . . . . 0.0 112.799 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -103.18 5.79 37.95 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -56.8 -48.87 76.96 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.309 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -32.3 70.76 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.582 -173.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -44.13 80.28 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.901 0.381 . . . . 0.0 110.881 175.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -55.64 -45.78 77.57 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.02 -1.05 . . . . 0.0 112.288 173.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.67 -43.07 98.09 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.619 0.723 . . . . 0.0 110.291 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.89 -43.46 98.81 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.096 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -64.33 -42.27 96.37 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 3.6 t -52.23 -51.9 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.452 175.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -60.34 -39.54 87.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -65.25 -46.1 81.91 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.381 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -78.92 -24.56 43.97 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.537 -0.865 . . . . 0.0 112.386 -174.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.502 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.05 -36.07 41.58 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.769 -0.773 . . . . 0.0 112.284 174.559 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . 0.502 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 56.5 t30 -110.77 -11.04 14.43 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -168.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -141.2 71.79 27.3 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 169.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.89 171.8 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.578 1.518 . . . . 0.0 111.589 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo . . . . . 0 C--N 1.29 -2.514 0 C-N-CA 122.469 2.112 . . . . 0.0 111.641 179.749 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 mmm . . . . . 0 CA--C 1.549 0.939 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.19 138.15 31.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 126.834 2.584 . . . . 0.0 108.912 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pt -131.21 163.01 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 173.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.98 140.23 49.47 Favored 'General case' 0 N--CA 1.513 2.693 1 O-C-N 130.459 4.849 . . . . 0.0 108.748 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.09 114.22 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.583 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 127.51 41.27 Favored 'General case' 0 N--CA 1.506 2.345 1 O-C-N 129.322 4.139 . . . . 0.0 107.968 -178.141 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.3 p -99.56 170.83 8.32 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.352 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -6.92 49.42 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 124.132 0.895 . . . . 0.0 112.647 -177.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.48 14.88 30.6 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 115.773 -2.371 . . . . 0.0 111.995 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.8 80.09 Favored Glycine 0 C--N 1.297 -1.607 0 O-C-N 120.262 -1.524 . . . . 0.0 116.071 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.55 138.08 34.67 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 175.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.8 p -119.98 131.68 55.25 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 126.543 2.402 . . . . 0.0 105.986 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mm -109.56 141.93 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 127.626 3.079 . . . . 0.0 108.871 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 t -101.36 139.71 36.65 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.104 -1.839 . . . . 0.0 108.199 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.39 154.12 44.03 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 115.332 -2.271 . . . . 0.0 108.323 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -111.95 121.04 43.91 Favored 'General case' 0 N--CA 1.499 1.982 1 O-C-N 129.339 4.15 . . . . 0.0 103.672 173.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -139.0 170.65 15.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.38 0 O-C-N 127.493 2.996 . . . . 0.0 111.152 -177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -119.98 144.59 37.85 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 112.309 -2.223 . . . . 0.0 106.309 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -24.4 40.12 Favored 'Trans proline' 0 C--N 1.321 -0.897 0 C-N-CA 122.489 2.126 . . . . 0.0 111.942 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -8.11 59.15 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.924 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.04 148.5 47.5 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 117.402 -1.719 . . . . 0.0 109.802 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.74 160.49 21.26 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 175.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 1.252 HG21 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.48 -37.05 76.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 O-C-N 127.184 2.803 . . . . 0.0 110.291 175.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -40.08 78.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.288 -0.883 . . . . 0.0 110.824 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.35 -41.85 80.07 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 121.86 -0.525 . . . . 0.0 110.982 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.2 t -58.24 -46.43 88.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 124.462 1.101 . . . . 0.0 109.15 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -60.81 -38.08 84.16 Favored 'General case' 0 C--O 1.259 1.553 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.689 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.0 87.16 Favored 'General case' 0 C--O 1.277 2.53 0 CA-C-N 118.129 0.422 . . . . 0.0 111.183 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -37.59 87.99 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-O 123.088 1.423 . . . . 0.0 110.669 176.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.03 -39.48 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -48.72 78.74 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 125.551 2.596 . . . . 0.0 109.081 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.18 -41.69 65.48 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 113.405 -1.725 . . . . 0.0 111.989 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.319 19.2 tttm -93.61 -24.31 17.97 Favored 'General case' 0 C--O 1.28 2.708 0 N-CA-C 117.188 2.292 . . . . 0.0 117.188 -175.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.34 -6.58 8.21 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 123.064 2.666 . . . . 0.0 114.194 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.65 89.97 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.882 2.313 . . . . 0.0 118.882 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 27.2 mm -79.73 124.81 83.33 Favored Pre-proline 0 C--O 1.244 0.793 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.978 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.2 Cg_exo -57.02 136.78 78.71 Favored 'Trans proline' 0 C--O 1.258 1.495 0 C-N-CA 123.369 2.713 . . . . 0.0 110.779 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -57.08 -32.05 92.12 Favored 'Trans proline' 0 C--O 1.262 1.702 0 O-C-N 123.05 1.026 . . . . 0.0 113.568 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.47 -15.28 63.49 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.9 -1.75 . . . . 0.0 112.163 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.0 -10.3 28.92 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.615 -1.303 . . . . 0.0 112.001 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -84.85 129.47 34.81 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 124.398 2.047 . . . . 0.0 115.777 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.92 116.08 24.45 Favored 'General case' 0 C--O 1.299 3.659 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 171.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mp -103.48 130.24 50.8 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 119.506 1.048 . . . . 0.0 109.974 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.1 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 125.145 1.528 . . . . 0.0 111.868 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -144.39 129.47 18.58 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.19 19.69 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.324 -2.216 . . . . 0.0 110.675 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.408 ' HA2' ' OD2' ' C' ' 79' ' ' ASP . . . 61.59 21.82 60.88 Favored Glycine 0 N--CA 1.431 -1.662 0 C-N-CA 128.608 3.004 . . . . 0.0 117.497 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -115.14 142.81 46.14 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.9 130.36 34.57 Favored 'General case' 0 C--O 1.257 1.497 0 N-CA-C 103.73 -2.693 . . . . 0.0 103.73 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 tp -79.6 138.15 37.35 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.153 -175.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 1.252 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -101.81 140.15 36.49 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 125.042 1.464 . . . . 0.0 109.977 -177.753 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.709 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . 72.8 m-20 -47.98 -42.59 28.19 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 120.72 3.6 . . . . 0.0 120.72 -175.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.56 -8.85 85.57 Favored Glycine 0 CA--C 1.489 -1.561 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 23' ' ' ILE . 6.4 mmm-85 -85.36 165.44 17.25 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 119.792 -2.004 . . . . 0.0 108.0 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 0.6 OUTLIER -104.64 164.83 11.48 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 177.035 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.56 -36.1 79.67 Favored 'General case' 0 C--O 1.203 -1.349 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -29.43 70.55 Favored 'General case' 0 C--O 1.269 2.086 0 C-N-CA 117.313 -1.755 . . . . 0.0 112.157 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -39.7 70.7 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 122.448 1.118 . . . . 0.0 110.694 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -90.73 4.69 50.84 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.032 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.12 45.14 18.11 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 121.589 1.995 . . . . 0.0 111.182 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -88.68 116.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.266 1.954 0 CA-C-O 115.227 -2.321 . . . . 0.0 106.282 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.49 169.74 8.35 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 125.999 2.062 . . . . 0.0 109.37 -176.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.01 142.88 28.42 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 123.239 1.495 . . . . 0.0 109.096 -176.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 67.14 19.16 10.44 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 117.916 2.561 . . . . 0.0 117.916 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -71.18 159.51 34.52 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.16 126.72 52.27 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-O 118.173 -0.918 . . . . 0.0 108.805 175.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mt -103.07 154.52 19.18 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 114.839 -2.505 . . . . 0.0 105.657 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -105.63 135.75 46.48 Favored 'General case' 0 C--N 1.288 -2.067 0 O-C-N 127.352 2.907 . . . . 0.0 105.826 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -106.96 115.78 30.78 Favored 'General case' 0 C--O 1.285 2.966 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.405 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.01 139.84 28.65 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.921 0 N-CA-C 103.612 -2.736 . . . . 0.0 103.612 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.0 138.9 32.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.291 0.567 . . . . 0.0 109.898 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 . . . . . 0 C--N 1.278 -2.516 0 CA-C-O 113.176 -3.297 . . . . 0.0 105.531 178.505 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.92 138.48 31.57 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 127.066 2.729 . . . . 0.0 108.776 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.16 163.02 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 CA-C-O 115.734 -2.079 . . . . 0.0 105.985 173.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -115.85 140.17 49.49 Favored 'General case' 0 N--CA 1.514 2.766 1 O-C-N 130.644 4.965 . . . . 0.0 108.615 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.99 114.05 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 113.446 -3.168 . . . . 0.0 105.786 175.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.05 127.61 41.24 Favored 'General case' 0 N--CA 1.503 2.192 1 O-C-N 129.184 4.053 . . . . 0.0 108.153 -178.134 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -99.63 170.86 8.28 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -7.08 50.06 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 124.122 0.889 . . . . 0.0 112.839 -178.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.13 14.81 30.78 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 115.63 -2.428 . . . . 0.0 112.033 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.65 80.15 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.241 -1.537 . . . . 0.0 116.114 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.16 137.82 34.67 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 174.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 70.0 p -119.93 131.87 55.34 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 126.452 2.345 . . . . 0.0 106.154 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.43 141.81 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 127.721 3.138 . . . . 0.0 109.121 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.3 m -101.23 139.83 36.36 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 117.014 -1.874 . . . . 0.0 108.371 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.52 154.1 44.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.512 -2.185 . . . . 0.0 108.351 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.82 121.16 44.29 Favored 'General case' 0 N--CA 1.496 1.846 1 O-C-N 129.259 4.1 . . . . 0.0 103.575 174.07 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.09 170.6 15.84 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 O-C-N 127.761 3.163 . . . . 0.0 111.171 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -120.07 144.68 38.22 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 112.139 -2.3 . . . . 0.0 106.298 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -54.87 -24.91 40.92 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 C-N-CA 122.696 2.264 . . . . 0.0 111.49 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.6 t -79.77 -8.17 59.09 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.892 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.06 148.53 47.44 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 117.247 -1.781 . . . . 0.0 109.782 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.487 ' O ' HG11 ' B' ' 26' ' ' VAL . 2.5 p -83.89 160.58 21.09 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.592 ' O ' HG21 ' B' ' 26' ' ' VAL . 1.5 mp -61.4 -36.8 75.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 126.964 2.665 . . . . 0.0 110.423 175.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -42.85 77.87 Favored 'General case' 0 C--O 1.252 1.197 0 O-C-N 120.463 -1.398 . . . . 0.0 111.0 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -44.56 90.91 Favored 'General case' 0 C--O 1.251 1.14 0 C-N-CA 124.172 0.989 . . . . 0.0 111.455 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.592 HG21 ' O ' ' B' ' 23' ' ' ILE . 0.9 OUTLIER -58.6 -46.28 90.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.877 1.36 . . . . 0.0 109.004 178.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 22.3 mttm -60.71 -37.91 83.29 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.934 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.37 -38.02 86.63 Favored 'General case' 0 C--O 1.279 2.655 0 O-C-N 123.367 0.417 . . . . 0.0 111.307 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -64.06 -37.38 87.21 Favored 'General case' 0 C--O 1.253 1.289 0 O-C-N 120.39 -1.444 . . . . 0.0 110.833 175.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -39.74 78.3 Favored 'Isoleucine or valine' 0 C--O 1.253 1.273 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -48.91 78.3 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 125.538 2.589 . . . . 0.0 108.991 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.3 -41.83 66.03 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.882 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.8 OUTLIER -93.34 -24.33 18.15 Favored 'General case' 0 C--O 1.28 2.674 0 N-CA-C 117.272 2.323 . . . . 0.0 117.272 -175.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -123.64 -6.29 8.06 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 122.926 2.603 . . . . 0.0 113.851 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.81 5.67 89.9 Favored Glycine 0 CA--C 1.476 -2.379 0 N-CA-C 118.814 2.286 . . . . 0.0 118.814 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 13.3 mt -79.84 125.02 83.0 Favored Pre-proline 0 C--O 1.242 0.708 0 C-N-CA 118.698 -1.201 . . . . 0.0 111.102 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -57.07 137.0 79.98 Favored 'Trans proline' 0 C--O 1.256 1.399 0 C-N-CA 122.921 2.414 . . . . 0.0 110.908 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -57.31 -32.15 92.96 Favored 'Trans proline' 0 C--O 1.262 1.688 0 O-C-N 123.136 1.072 . . . . 0.0 113.32 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -68.29 -15.56 63.61 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 119.926 -1.734 . . . . 0.0 112.328 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.42 ' HB3' ' CD2' ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.53 -10.57 29.29 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.538 -1.351 . . . . 0.0 112.207 178.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -84.92 129.65 34.77 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 124.289 1.995 . . . . 0.0 115.711 -177.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -121.21 116.04 24.17 Favored 'General case' 0 C--O 1.298 3.655 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 tp -103.48 130.33 50.83 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.459 1.027 . . . . 0.0 110.054 -177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mt -122.07 131.61 72.78 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 125.194 1.559 . . . . 0.0 111.941 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -144.3 129.77 18.97 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.29 45.84 20.18 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 112.001 -2.363 . . . . 0.0 110.712 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.92 20.22 59.73 Favored Glycine 0 C--N 1.299 -1.526 0 C-N-CA 128.256 2.836 . . . . 0.0 117.316 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -109.86 143.82 39.21 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 115.407 -2.235 . . . . 0.0 110.945 174.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.578 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.4 OUTLIER -87.22 130.34 34.6 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 103.995 -2.594 . . . . 0.0 103.995 173.338 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.63 138.48 37.42 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.086 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -101.93 140.03 36.77 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 125.203 1.564 . . . . 0.0 109.951 -177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -48.31 -42.08 30.03 Favored 'General case' 0 C--O 1.263 1.798 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.27 -8.45 85.28 Favored Glycine 0 CA--C 1.493 -1.332 0 N-CA-C 116.0 1.16 . . . . 0.0 116.0 -177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.63 165.29 17.14 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.126 -1.808 . . . . 0.0 108.034 176.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 11.9 t -104.35 164.49 11.7 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.04 -36.44 79.57 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -29.66 70.87 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.27 -1.772 . . . . 0.0 112.323 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -39.15 70.61 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 122.553 1.168 . . . . 0.0 110.761 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -91.04 4.56 51.78 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 117.521 -1.228 . . . . 0.0 112.883 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.86 45.35 18.58 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 121.703 2.047 . . . . 0.0 111.364 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.76 116.21 30.01 Favored 'Isoleucine or valine' 0 C--O 1.272 2.243 0 CA-C-O 115.065 -2.397 . . . . 0.0 106.359 175.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.29 169.52 8.5 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 126.072 2.107 . . . . 0.0 109.765 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 142.99 26.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 123.109 1.433 . . . . 0.0 109.234 -176.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 66.92 19.09 10.65 Favored 'General case' 0 C--O 1.257 1.48 0 N-CA-C 117.867 2.543 . . . . 0.0 117.867 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.17 159.57 34.44 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.98 126.62 52.16 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 118.159 -0.924 . . . . 0.0 108.793 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.16 154.56 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.723 -2.56 . . . . 0.0 105.701 175.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -105.62 135.84 46.3 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 127.57 3.044 . . . . 0.0 105.646 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.1 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.85 0 CA-C-O 117.65 -1.166 . . . . 0.0 111.39 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 88.7 t -108.18 139.92 28.61 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 103.452 -2.795 . . . . 0.0 103.452 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.476 ' C ' ' CD2' ' B' ' 71' ' ' LEU . 2.5 tt -96.06 -83.39 0.37 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.081 0.467 . . . . 0.0 109.943 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.503 ' CB ' ' HA2' ' C' ' 101' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.277 -2.55 0 CA-C-O 113.366 -3.207 . . . . 0.0 105.431 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.604 0.716 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -89.01 137.87 31.92 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.591 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.2 -39.57 75.09 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.699 0.761 . . . . 0.0 111.881 172.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -144.34 136.04 21.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 125.283 1.433 . . . . 0.0 107.484 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.33 148.05 34.27 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 118.931 0.787 . . . . 0.0 110.638 165.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -161.01 155.15 22.8 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.271 0.982 . . . . 0.0 111.21 173.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -72.18 127.84 33.8 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.32 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.19 147.69 6.72 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.077 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.83 25.12 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 108.279 -1.928 . . . . 0.0 108.279 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.11 -179.19 3.78 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' MET . . . . . 0.721 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.2 mpt? -137.15 161.06 37.19 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 174.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 45.2 m -136.68 156.52 48.42 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.101 -1.439 . . . . 0.0 108.755 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.76 116.15 28.76 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.35 115.84 29.38 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.09 8.67 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.61 18.46 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.348 -0.426 . . . . 0.0 110.018 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.8 m -112.01 122.49 47.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -172.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 47.4 t -76.11 120.05 25.35 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.14 119.34 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.207 -173.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . 0.721 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 32.3 Cg_exo -59.85 134.8 59.3 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.892 -0.939 . . . . 0.0 111.873 173.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -85.71 132.18 34.19 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 172.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.19 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -172.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.1 144.45 56.09 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -173.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -68.1 125.52 26.63 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 171.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.39 171.28 21.58 Favored Glycine 0 C--N 1.318 -0.462 0 CA-C-O 123.223 1.457 . . . . 0.0 115.35 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -128.39 124.39 36.22 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 m -90.92 137.54 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 164.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -151.95 157.78 42.23 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.056 0.932 . . . . 0.0 112.944 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 10.3 mt -118.82 131.04 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.305 174.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -133.99 137.65 44.92 Favored 'General case' 0 CA--C 1.493 -1.23 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.24 122.16 42.61 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 170.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.5 p -84.11 171.08 13.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.267 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -71.53 -10.42 59.74 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.638 -0.825 . . . . 0.0 113.195 -170.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 3.6 m 73.87 -1.35 3.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.386 1.474 . . . . 0.0 114.717 -177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.94 149.82 39.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 119.21 -0.996 . . . . 0.0 113.112 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.1 129.14 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.223 -177.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.65 125.33 50.55 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -176.478 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -98.79 119.05 36.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 26.6 m -127.72 156.78 41.86 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -171.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -130.43 128.26 40.95 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.615 -1.63 . . . . 0.0 108.734 169.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -120.66 134.3 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.027 -1.442 . . . . 0.0 109.745 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.22 115.33 13.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 173.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -64.0 -32.43 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 40.9 p -72.51 -46.14 56.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -175.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 10.4 t -91.43 -20.57 21.64 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.52 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 2.61 60.87 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 119.755 -0.469 . . . . 0.0 113.771 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.46 129.97 39.57 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.645 1.222 . . . . 0.0 113.129 178.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.18 109.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -94.54 -28.82 15.22 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.946 -171.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.99 135.53 54.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.837 0.827 . . . . 0.0 109.407 177.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.97 103.4 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.08 123.17 44.97 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.276 -174.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -75.73 124.29 33.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 122.336 1.065 . . . . 0.0 111.695 168.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -123.03 130.36 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.43 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.613 -174.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.26 158.94 30.84 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.317 1.01 . . . . 0.0 110.885 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -54.33 133.92 58.41 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.864 2.376 . . . . 0.0 111.31 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.81 5.89 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . 0.498 ' C ' ' SG ' ' C' ' 80' ' ' CYS . 24.1 t0 -70.39 -33.57 71.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.986 0.812 . . . . 0.0 109.623 176.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . 0.498 ' SG ' ' C ' ' C' ' 79' ' ' ASP . 0.0 OUTLIER -154.91 168.14 27.96 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 118.431 -1.308 . . . . 0.0 113.665 -173.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -133.36 139.36 46.77 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 113.478 -1.692 . . . . 0.0 107.008 -178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -106.75 124.16 49.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -148.54 156.44 42.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -67.75 142.86 56.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.438 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 72.4 t -94.29 98.37 2.9 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -61.0 -31.96 91.83 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 N-CA-C 117.788 2.188 . . . . 0.0 117.788 -167.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.12 8.63 34.66 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.198 -164.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 4.6 t -85.06 119.62 72.7 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -56.96 -19.87 34.16 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.369 -173.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.7 m -65.57 -34.58 78.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.457 0.571 . . . . 0.0 110.06 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.48 12.97 64.73 Favored Glycine 0 CA--C 1.505 -0.568 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.516 -172.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -120.98 17.1 11.73 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 93.5 t -97.06 133.48 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -125.07 151.78 45.21 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.46 1.725 . . . . 0.0 110.437 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.02 135.39 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 32.1 tp -95.48 108.16 20.36 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -109.27 125.16 52.0 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -171.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' C' ' 98' ' ' PHE . 8.9 m-30 -84.79 115.6 22.81 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.058 0.849 . . . . 0.0 109.202 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . 0.578 ' HA ' ' HB2' ' B' ' 49' ' ' GLN . 4.9 mtmt -63.36 -25.25 68.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.371 -169.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.19 115.2 28.98 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . 0.503 ' HA2' ' CB ' ' B' ' 72' ' ' ARG . . . 101.89 172.43 27.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -172.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 41.2 t -91.43 9.0 33.6 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.054 -0.674 . . . . 0.0 110.525 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.66 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.72 46.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.967 175.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -124.44 126.14 45.43 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . 0.42 ' CB ' ' SD ' ' C' ' 31' ' ' MET . 39.3 m-85 -100.8 143.66 30.69 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 124.771 1.294 . . . . 0.0 110.302 -177.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -137.14 156.65 48.1 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.263 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -131.42 126.53 35.35 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.408 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.6 137.75 58.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.312 -174.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.85 3.93 11.54 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.274 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 135.94 93.86 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.188 1.47 . . . . 0.0 108.623 172.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.27 -41.4 42.44 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.611 -1.126 . . . . 0.0 112.377 -174.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -96.08 146.93 24.23 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.159 0.504 . . . . 0.0 110.487 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 14.8 t -83.43 -9.3 59.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.154 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.57 -33.79 56.02 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 123.389 0.676 . . . . 0.0 112.79 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -103.27 5.92 37.78 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -174.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -56.94 -48.81 77.43 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.256 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -69.83 -32.24 70.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.56 -173.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -67.27 -44.06 80.3 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.904 0.383 . . . . 0.0 110.96 175.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -55.54 -45.85 77.18 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.02 -1.05 . . . . 0.0 112.326 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 7.1 t -60.73 -43.03 98.39 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.65 0.738 . . . . 0.0 110.232 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -43.53 98.65 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.115 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -64.21 -42.29 96.67 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 82.9 t -52.27 -51.85 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.478 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -60.41 -39.51 87.63 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -65.29 -46.05 81.96 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.446 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -79.0 -24.43 43.73 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 119.435 -0.906 . . . . 0.0 112.39 -174.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 mp -79.11 -36.03 41.31 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.731 -0.788 . . . . 0.0 112.274 174.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.76 -11.06 14.43 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -168.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -141.16 71.82 27.5 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 169.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -44.61 163.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.342 0 C-N-CA 121.639 1.559 . . . . 0.0 111.642 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 C--N 1.29 -2.513 0 C-N-CA 122.471 2.114 . . . . 0.0 111.534 -179.719 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mmm . . . . . 0 CA--C 1.549 0.928 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -91.07 138.18 31.8 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 126.908 2.63 . . . . 0.0 108.86 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 pt -131.25 163.06 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 1.092 ' CE1' ' HB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -116.0 140.23 49.47 Favored 'General case' 0 N--CA 1.512 2.67 1 O-C-N 130.497 4.873 . . . . 0.0 108.784 179.618 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.715 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -118.02 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.624 175.738 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.794 ' CB ' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -95.23 127.52 41.34 Favored 'General case' 0 N--CA 1.506 2.368 1 O-C-N 129.334 4.146 . . . . 0.0 107.951 -178.169 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.7 t -99.56 170.78 8.36 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.34 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.9 mt -73.33 -7.07 50.03 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.129 0.893 . . . . 0.0 112.662 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.51 15.12 29.89 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 115.715 -2.394 . . . . 0.0 112.006 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.67 80.23 Favored Glycine 0 C--N 1.297 -1.638 0 O-C-N 120.247 -1.533 . . . . 0.0 116.135 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.45 138.08 34.57 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 175.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 1.092 ' HB ' ' CE1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -119.9 131.6 55.28 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 126.696 2.497 . . . . 0.0 105.929 176.412 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.52 141.97 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 127.61 3.069 . . . . 0.0 108.898 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.44 139.71 36.73 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.163 -1.815 . . . . 0.0 108.189 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.47 154.05 44.25 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.291 -179.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -111.83 121.08 44.09 Favored 'General case' 0 N--CA 1.5 2.053 1 O-C-N 129.261 4.1 . . . . 0.0 103.638 173.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.97 170.61 15.96 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 O-C-N 127.663 3.102 . . . . 0.0 111.161 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.6 mp0 -119.96 144.54 37.71 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.334 -2.212 . . . . 0.0 106.322 174.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.411 ' O ' ' OG1' ' A' ' 55' ' ' THR . 63.5 Cg_exo -55.03 -24.31 39.41 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 122.513 2.142 . . . . 0.0 111.952 177.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.6 p -80.06 -8.07 59.19 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.868 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.05 148.37 47.61 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 117.471 -1.692 . . . . 0.0 109.774 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -83.74 160.56 21.24 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.753 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.55 -37.06 76.97 Favored 'Isoleucine or valine' 0 C--O 1.245 0.855 0 O-C-N 127.161 2.788 . . . . 0.0 110.209 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -40.26 78.22 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.368 -0.833 . . . . 0.0 110.736 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.26 -41.95 80.34 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 121.948 -0.47 . . . . 0.0 110.958 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.14 -46.37 88.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -60.91 -37.92 83.95 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.671 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.03 87.05 Favored 'General case' 0 C--O 1.277 2.516 0 CA-C-N 118.176 0.443 . . . . 0.0 111.184 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -37.57 87.91 Favored 'General case' 0 C--O 1.255 1.345 0 CA-C-O 123.063 1.411 . . . . 0.0 110.685 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 mt -69.9 -39.54 77.73 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -48.68 78.94 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 125.553 2.597 . . . . 0.0 109.137 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -41.72 66.21 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 113.383 -1.735 . . . . 0.0 111.857 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -93.52 -24.33 18.02 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.253 2.316 . . . . 0.0 117.253 -175.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -123.37 -6.42 8.21 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.041 2.655 . . . . 0.0 114.259 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.59 90.01 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.908 2.323 . . . . 0.0 118.908 176.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.6 mt -79.82 124.79 83.19 Favored Pre-proline 0 C--O 1.244 0.808 0 C-N-CA 118.791 -1.163 . . . . 0.0 110.916 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -57.02 136.9 79.44 Favored 'Trans proline' 0 C--O 1.258 1.495 0 C-N-CA 123.311 2.674 . . . . 0.0 110.737 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.15 -31.99 92.11 Favored 'Trans proline' 0 C--O 1.261 1.648 0 O-C-N 123.0 1.0 . . . . 0.0 113.666 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.51 -15.31 63.5 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 119.904 -1.747 . . . . 0.0 112.228 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -95.96 -10.18 29.29 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.704 -1.248 . . . . 0.0 112.079 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -84.96 129.65 34.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 124.454 2.073 . . . . 0.0 115.673 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.03 116.03 24.27 Favored 'General case' 0 C--O 1.3 3.755 0 N-CA-C 104.976 -2.231 . . . . 0.0 104.976 171.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.51 130.14 50.83 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 119.61 1.096 . . . . 0.0 109.96 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -121.93 131.77 72.39 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 125.068 1.48 . . . . 0.0 112.011 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -144.31 129.58 18.77 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 46.12 19.74 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.202 -2.272 . . . . 0.0 110.785 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.57 21.73 60.74 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.56 2.981 . . . . 0.0 117.583 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -115.13 142.75 46.23 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -85.8 130.34 34.58 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 103.798 -2.667 . . . . 0.0 103.798 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.62 138.08 37.31 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.151 -175.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -101.66 140.1 36.41 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 125.139 1.524 . . . . 0.0 109.969 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.97 -42.5 27.82 Favored 'General case' 0 C--O 1.264 1.855 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.8 85.48 Favored Glycine 0 CA--C 1.49 -1.492 0 N-CA-C 116.139 1.215 . . . . 0.0 116.139 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -85.37 165.36 17.3 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 119.786 -2.008 . . . . 0.0 108.078 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.8 t -104.57 164.84 11.46 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.67 -35.91 79.33 Favored 'General case' 0 C--O 1.202 -1.395 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -29.39 70.48 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 117.228 -1.789 . . . . 0.0 112.19 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -55.5 -39.59 70.64 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 122.412 1.101 . . . . 0.0 110.681 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -90.8 4.71 50.94 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.943 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 58.1 45.22 18.04 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 121.703 2.047 . . . . 0.0 111.173 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mt -88.76 116.55 30.6 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.233 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -103.54 169.75 8.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 126.041 2.088 . . . . 0.0 109.366 -176.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.98 142.94 28.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 123.277 1.513 . . . . 0.0 109.097 -176.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 67.04 19.17 10.55 Favored 'General case' 0 C--O 1.255 1.383 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -71.12 159.53 34.53 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.4 t -119.23 126.72 52.2 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 118.191 -0.909 . . . . 0.0 108.8 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.09 154.61 19.1 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.707 -2.568 . . . . 0.0 105.715 175.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -105.69 135.62 46.77 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 127.404 2.94 . . . . 0.0 105.887 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tp -106.83 115.75 30.73 Favored 'General case' 0 C--O 1.285 2.953 0 CA-C-O 117.599 -1.191 . . . . 0.0 111.446 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.7 t -108.06 139.92 28.41 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mp -96.14 138.84 33.18 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.256 0.551 . . . . 0.0 109.807 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 . . . . . 0 C--N 1.279 -2.487 0 CA-C-O 113.176 -3.297 . . . . 0.0 105.534 178.663 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mtp . . . . . 0 CA--C 1.548 0.904 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.04 138.46 31.58 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 127.137 2.773 . . . . 0.0 108.774 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.13 163.04 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 CA-C-O 115.833 -2.032 . . . . 0.0 105.828 173.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 1.257 ' HD2' ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -115.89 140.21 49.46 Favored 'General case' 0 N--CA 1.515 2.799 1 O-C-N 130.68 4.988 . . . . 0.0 108.65 179.696 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.49 ' N ' ' CD2' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -117.94 113.99 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-O 113.306 -3.235 . . . . 0.0 105.808 175.517 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.828 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.3 OUTLIER -95.08 127.58 41.25 Favored 'General case' 0 N--CA 1.501 2.103 1 O-C-N 129.27 4.106 . . . . 0.0 108.176 -178.073 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 27.9 p -99.5 170.81 8.35 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.281 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -7.06 50.03 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 124.001 0.813 . . . . 0.0 112.858 -178.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.16 14.73 31.02 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 115.63 -2.428 . . . . 0.0 111.972 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.87 79.98 Favored Glycine 0 C--N 1.296 -1.683 0 O-C-N 120.16 -1.588 . . . . 0.0 116.123 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 137.95 34.63 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 174.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.1 p -120.01 132.02 55.33 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 126.425 2.328 . . . . 0.0 106.157 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -109.56 141.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 127.723 3.139 . . . . 0.0 109.049 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.18 139.83 36.32 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 117.027 -1.869 . . . . 0.0 108.382 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -126.48 154.08 44.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 115.607 -2.14 . . . . 0.0 108.314 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -111.82 121.22 44.47 Favored 'General case' 0 N--CA 1.497 1.898 1 O-C-N 129.254 4.096 . . . . 0.0 103.527 174.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.05 170.61 15.87 Favored 'Isoleucine or valine' 0 C--O 1.252 1.23 0 O-C-N 127.867 3.23 . . . . 0.0 111.234 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -120.15 144.66 38.31 Favored Pre-proline 0 C--N 1.314 -0.954 0 CA-C-N 112.054 -2.339 . . . . 0.0 106.244 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -54.81 -24.83 40.06 Favored 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 122.758 2.305 . . . . 0.0 111.502 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.1 t -79.85 -8.27 59.19 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 121.164 -0.96 . . . . 0.0 110.904 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.98 148.54 47.55 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 117.307 -1.757 . . . . 0.0 109.762 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.479 ' O ' HG11 ' B' ' 26' ' ' VAL . 2.7 p -83.89 160.43 21.12 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 175.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.584 ' O ' HG22 ' B' ' 26' ' ' VAL . 22.2 mm -61.33 -36.86 75.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 126.929 2.643 . . . . 0.0 110.428 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.754 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.06 -42.94 77.42 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 120.393 -1.442 . . . . 0.0 111.008 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -44.58 90.76 Favored 'General case' 0 C--O 1.25 1.108 0 C-N-CA 124.322 1.049 . . . . 0.0 111.41 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.584 HG22 ' O ' ' B' ' 23' ' ' ILE . 0.9 OUTLIER -58.54 -46.33 89.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.873 1.358 . . . . 0.0 108.971 178.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.407 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 9.9 mtmm -60.75 -37.98 83.64 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-O 118.778 -0.629 . . . . 0.0 110.786 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.88 86.39 Favored 'General case' 0 C--O 1.279 2.628 0 O-C-N 123.483 0.49 . . . . 0.0 111.448 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -63.98 -37.49 87.6 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 120.417 -1.427 . . . . 0.0 110.878 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -39.74 78.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.337 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -62.01 -48.74 78.97 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 125.448 2.547 . . . . 0.0 109.026 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.45 -41.78 66.46 Favored 'General case' 0 C--O 1.258 1.52 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.812 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 0.0 OUTLIER -93.47 -24.29 18.07 Favored 'General case' 0 C--O 1.281 2.727 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -175.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.68 -6.33 8.03 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 122.996 2.635 . . . . 0.0 113.791 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.64 90.01 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.726 2.25 . . . . 0.0 118.726 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.429 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 1.6 mt -80.01 125.08 82.55 Favored Pre-proline 0 C--O 1.242 0.71 0 C-N-CA 118.619 -1.232 . . . . 0.0 111.052 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 84.4 Cg_exo -57.09 137.05 80.17 Favored 'Trans proline' 0 C--O 1.255 1.365 0 C-N-CA 122.937 2.425 . . . . 0.0 110.886 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -57.27 -32.16 92.9 Favored 'Trans proline' 0 C--O 1.261 1.644 0 O-C-N 123.086 1.045 . . . . 0.0 113.36 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -15.59 63.63 Favored 'General case' 0 C--O 1.264 1.827 0 O-C-N 119.997 -1.689 . . . . 0.0 112.281 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.639 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 31.6 mm-40 -95.5 -10.59 29.3 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 120.462 -1.399 . . . . 0.0 112.187 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -84.95 129.67 34.76 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.29 1.995 . . . . 0.0 115.686 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 3.3 mmt180 -121.12 116.19 24.52 Favored 'General case' 0 C--O 1.298 3.654 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 172.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -103.6 130.24 51.0 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 119.481 1.037 . . . . 0.0 109.95 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -122.02 131.74 72.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 125.162 1.539 . . . . 0.0 111.963 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.27 129.76 18.99 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 177.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.26 45.85 20.06 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 111.964 -2.38 . . . . 0.0 110.685 177.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 20.27 59.63 Favored Glycine 0 C--N 1.298 -1.553 0 C-N-CA 128.277 2.846 . . . . 0.0 117.316 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -109.88 143.83 39.23 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 115.317 -2.277 . . . . 0.0 110.986 174.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -87.19 130.3 34.6 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 103.996 -2.594 . . . . 0.0 103.996 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 61.5 mt -79.52 138.31 37.48 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 117.631 -1.176 . . . . 0.0 110.128 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.81 139.96 36.74 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 125.172 1.545 . . . . 0.0 109.976 -177.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.754 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER -48.24 -42.12 29.5 Favored 'General case' 0 C--O 1.263 1.778 0 N-CA-C 120.772 3.619 . . . . 0.0 120.772 -175.792 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.07 -8.68 85.28 Favored Glycine 0 N--CA 1.476 1.358 0 N-CA-C 115.927 1.131 . . . . 0.0 115.927 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -85.63 165.33 17.1 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 120.159 -1.789 . . . . 0.0 107.991 176.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.2 p -104.3 164.4 11.75 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.97 -36.37 79.22 Favored 'General case' 0 C--O 1.2 -1.506 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -29.73 70.91 Favored 'General case' 0 C--O 1.267 1.982 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.208 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.66 -39.03 70.36 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 122.533 1.159 . . . . 0.0 110.793 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -91.06 4.42 52.18 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 117.576 -1.202 . . . . 0.0 112.885 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.9 45.45 18.3 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 121.726 2.057 . . . . 0.0 111.284 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.83 116.14 29.93 Favored 'Isoleucine or valine' 0 C--O 1.269 2.109 0 CA-C-O 115.094 -2.384 . . . . 0.0 106.284 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 169.58 8.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 126.113 2.133 . . . . 0.0 109.752 -176.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.85 142.92 27.46 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 123.081 1.42 . . . . 0.0 109.273 -176.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 67.03 19.04 10.57 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.886 2.55 . . . . 0.0 117.886 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 96.3 p -71.09 159.54 34.53 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 174.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.659 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 0.6 OUTLIER -118.96 126.62 52.17 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 118.218 -0.896 . . . . 0.0 108.874 175.829 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 23.1 mt -103.11 154.54 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.674 -2.584 . . . . 0.0 105.751 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.283 -2.324 0 O-C-N 127.514 3.009 . . . . 0.0 105.707 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.05 115.85 30.91 Favored 'General case' 0 C--O 1.283 2.844 0 CA-C-O 117.671 -1.157 . . . . 0.0 111.417 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.1 m -108.17 139.9 28.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 103.375 -2.824 . . . . 0.0 103.375 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.639 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.04 -83.49 0.37 Allowed 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.098 0.475 . . . . 0.0 109.836 178.334 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.452 ' N ' HD13 ' B' ' 71' ' ' LEU . 1.8 tpm_? . . . . . 0 C--N 1.278 -2.537 0 CA-C-O 113.406 -3.188 . . . . 0.0 105.456 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mttp . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.643 0.735 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -88.99 137.85 31.94 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.56 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.17 -39.64 75.19 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.682 0.753 . . . . 0.0 111.874 172.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -144.29 136.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.233 1.413 . . . . 0.0 107.464 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.38 148.15 34.31 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.524 165.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -161.08 155.15 22.66 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.261 0.976 . . . . 0.0 111.21 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -72.21 127.8 33.69 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.331 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.17 147.7 6.75 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.08 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.96 164.88 25.19 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 175.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -109.18 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' MET . . . . . 0.581 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.08 161.07 37.11 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 174.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' SER . . . . . 0.581 ' N ' ' HG2' ' C' ' 31' ' ' MET . 0.1 OUTLIER -136.7 156.58 48.33 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 118.085 -1.446 . . . . 0.0 108.72 177.347 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.79 116.19 28.8 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 173.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.32 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.324 -1.911 . . . . 0.0 108.324 -169.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.56 18.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.352 -0.424 . . . . 0.0 109.98 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -112.02 122.53 48.02 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -76.16 120.04 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 174.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' C' ' 32' ' ' SER . 0.8 OUTLIER -124.13 119.47 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -173.376 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.07 134.94 59.33 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 117.882 -0.945 . . . . 0.0 111.845 173.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.78 132.14 34.18 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.12 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -67.09 144.39 56.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -173.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -68.15 125.6 26.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.31 171.17 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.376 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mt -128.4 124.4 36.21 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 175.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.96 137.56 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.147 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 164.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . 0.424 ' CE2' ' SG ' ' C' ' 60' ' ' CYS . 6.0 p90 -151.91 157.83 42.35 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.993 0.901 . . . . 0.0 113.024 175.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 1.2 mt -118.85 131.06 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 113.559 -1.655 . . . . 0.0 108.309 174.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . 0.909 ' H ' ' HD1' ' C' ' 58' ' ' HIS . 0.3 OUTLIER -134.0 137.64 44.88 Favored 'General case' 0 CA--C 1.494 -1.193 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.422 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -100.23 122.05 42.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 170.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.03 171.14 13.21 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.259 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 p-10 -71.64 -10.42 59.74 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.661 -0.816 . . . . 0.0 113.156 -170.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.64 7.43 14.76 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.23 -0.188 . . . . 0.0 110.974 170.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t 73.78 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.493 1.517 . . . . 0.0 114.743 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 149.93 39.47 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 119.228 -0.989 . . . . 0.0 113.113 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 3.9 mm -102.21 129.06 54.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.145 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.993 ' O ' ' ND1' ' C' ' 58' ' ' HIS . 0.0 OUTLIER -117.6 125.39 50.7 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -176.501 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.87 118.98 36.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 171.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . 0.656 ' HB2' ' CD2' ' C' ' 58' ' ' HIS . 48.7 t -127.7 156.8 41.8 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -171.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . 0.426 ' HZ2' ' CZ ' ' C' ' 107' ' ' PHE . 5.0 m-90 -130.47 128.28 40.94 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.712 169.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -120.68 134.38 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.059 -1.428 . . . . 0.0 109.753 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.25 115.24 13.53 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 173.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.96 -32.38 73.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -176.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 5.7 t -72.53 -46.23 55.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 6.9 t -91.46 -20.46 21.73 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.516 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 2.72 60.53 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . 0.418 ' O ' ' CG2' ' C' ' 69' ' ' VAL . 32.1 m -84.19 109.11 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -94.37 -28.98 15.24 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.048 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -121.9 135.66 54.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.847 0.832 . . . . 0.0 109.433 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.06 103.29 2.38 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.08 123.24 45.14 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.242 -174.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 10.1 mm -75.8 124.26 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-O 122.396 1.093 . . . . 0.0 111.776 168.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.96 130.29 74.55 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.632 -174.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -101.23 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.519 1.137 . . . . 0.0 110.883 173.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -54.23 133.87 57.83 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.889 2.393 . . . . 0.0 111.387 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.41 6.95 5.96 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.66 2.096 . . . . 0.0 116.66 -175.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -70.44 -33.63 71.53 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.011 0.823 . . . . 0.0 109.558 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 168.19 27.75 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.441 -1.304 . . . . 0.0 113.601 -173.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -133.5 139.25 46.54 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.45 -1.705 . . . . 0.0 107.038 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . 0.416 ' CE2' ' HD2' ' C' ' 107' ' ' PHE . 5.3 t80 -106.7 124.13 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -148.51 156.45 42.47 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -67.73 142.78 56.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.008 -0.997 . . . . 0.0 108.445 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . 0.84 ' CG2' ' O ' ' C' ' 85' ' ' VAL . 1.2 m -94.22 98.3 2.83 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 171.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.96 -31.96 91.97 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 N-CA-C 117.816 2.199 . . . . 0.0 117.816 -167.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -91.09 8.63 34.58 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.236 -164.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 30.0 p -85.1 119.7 72.75 Favored Pre-proline 0 CA--C 1.514 -0.413 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.0 -19.83 34.22 Favored 'Trans proline' 0 C--N 1.346 0.443 0 O-C-N 122.978 0.988 . . . . 0.0 114.441 -173.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.56 -34.65 78.74 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.368 0.531 . . . . 0.0 110.047 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.48 13.07 64.88 Favored Glycine 0 CA--C 1.506 -0.473 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.511 -172.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -121.01 17.11 11.7 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . 0.615 ' HB ' ' CG2' ' C' ' 85' ' ' VAL . 96.7 t -97.06 133.44 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 173.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . 0.474 ' CE1' ' HB2' ' C' ' 109' ' ' MET . 2.4 m-85 -125.04 151.73 45.22 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.468 1.73 . . . . 0.0 110.418 178.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.99 135.37 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -95.44 108.07 20.26 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -109.21 125.2 51.98 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -171.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -84.75 115.72 22.86 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.155 0.909 . . . . 0.0 109.17 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -25.19 68.14 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.36 -169.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.21 115.19 28.95 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 173.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . 0.554 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.88 172.47 27.76 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -172.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.42 9.0 33.59 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.074 -0.662 . . . . 0.0 110.51 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -70.67 129.24 38.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.602 -165.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 141.74 46.19 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.936 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 20.9 mt -124.55 126.21 45.46 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . 0.44 ' N ' ' CD2' ' C' ' 106' ' ' PHE . 1.4 m-85 -100.88 143.65 30.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.319 -177.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . 0.426 ' CZ ' ' HZ2' ' C' ' 61' ' ' TRP . 1.4 m-85 -137.07 156.67 48.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.258 178.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.47 126.61 35.46 Favored 'General case' 0 N--CA 1.42 -1.937 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.466 174.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 109' ' ' MET . . . . . 0.474 ' HB2' ' CE1' ' C' ' 94' ' ' TYR . 0.1 OUTLIER -62.66 137.8 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.189 -174.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -118.87 3.97 11.53 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.268 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.28 135.92 93.85 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.129 1.442 . . . . 0.0 108.623 172.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.37 -41.29 42.44 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.58 -1.147 . . . . 0.0 112.366 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 147.0 24.19 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.498 173.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 75.4 p -83.54 -9.23 59.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.102 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -103.19 5.79 37.92 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -56.97 -48.71 77.73 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.27 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.81 -32.32 70.71 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.522 -173.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.22 -44.06 80.47 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.926 0.393 . . . . 0.0 110.96 175.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -55.57 -45.87 77.26 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.998 -1.064 . . . . 0.0 112.325 173.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 8.6 m -60.6 -43.07 97.85 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.693 0.759 . . . . 0.0 110.297 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -61.9 -43.49 98.74 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.166 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -64.12 -42.47 96.83 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.28 -51.8 29.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.476 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.38 -39.55 87.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -65.27 -45.99 82.29 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.446 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -79.08 -24.37 43.54 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 119.4 -0.92 . . . . 0.0 112.351 -174.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -36.03 40.97 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.192 174.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -110.78 -11.1 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -168.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -141.21 71.78 27.27 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 169.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . 0.568 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 67.1 Cg_exo -51.69 -44.81 42.01 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.625 1.55 . . . . 0.0 111.545 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 71.6 Cg_exo . . . . . 0 C--N 1.29 -2.541 0 C-N-CA 122.425 2.083 . . . . 0.0 111.611 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.06 138.17 31.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 126.834 2.584 . . . . 0.0 108.902 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.2 162.98 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.399 0 N-CA-C 105.601 -1.999 . . . . 0.0 105.601 173.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.93 140.3 49.38 Favored 'General case' 0 N--CA 1.512 2.663 1 O-C-N 130.585 4.928 . . . . 0.0 108.764 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.19 114.26 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 113.427 -3.177 . . . . 0.0 105.537 175.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -95.22 127.45 41.29 Favored 'General case' 0 N--CA 1.505 2.315 1 O-C-N 129.345 4.153 . . . . 0.0 107.962 -178.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.8 t -99.47 170.73 8.41 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.404 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -7.0 49.83 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.141 0.9 . . . . 0.0 112.694 -177.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.51 15.06 30.09 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.638 -2.425 . . . . 0.0 111.996 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.89 80.12 Favored Glycine 0 C--N 1.297 -1.615 0 O-C-N 120.053 -1.655 . . . . 0.0 116.022 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.47 138.17 34.46 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 174.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.0 p -120.03 131.69 55.21 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.653 2.471 . . . . 0.0 105.849 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.53 141.94 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 127.621 3.075 . . . . 0.0 108.927 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.44 139.75 36.68 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 117.147 -1.821 . . . . 0.0 108.091 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 mt -126.45 154.06 44.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 115.363 -2.256 . . . . 0.0 108.34 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -111.82 121.04 43.98 Favored 'General case' 0 N--CA 1.499 2.017 1 O-C-N 129.245 4.091 . . . . 0.0 103.611 173.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.97 170.55 16.03 Favored 'Isoleucine or valine' 0 C--O 1.256 1.406 0 O-C-N 127.55 3.031 . . . . 0.0 111.222 -177.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -119.89 144.51 37.53 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.43 -2.168 . . . . 0.0 106.364 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -55.1 -24.3 39.98 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.466 2.111 . . . . 0.0 111.875 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -80.01 -8.15 59.2 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.912 -177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.01 148.5 47.56 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 117.358 -1.737 . . . . 0.0 109.831 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.79 160.52 21.2 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.822 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.46 -37.06 76.89 Favored 'Isoleucine or valine' 0 C--O 1.247 0.93 0 O-C-N 127.17 2.794 . . . . 0.0 110.245 175.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.52 -40.25 78.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.221 -0.924 . . . . 0.0 110.765 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.35 -41.87 80.07 Favored 'General case' 0 C--O 1.263 1.792 0 O-C-N 121.945 -0.472 . . . . 0.0 110.984 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.23 -46.43 88.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 124.409 1.068 . . . . 0.0 109.112 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -60.88 -37.86 83.64 Favored 'General case' 0 C--O 1.26 1.619 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.687 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.0 86.82 Favored 'General case' 0 C--O 1.277 2.538 0 CA-C-N 118.184 0.447 . . . . 0.0 111.129 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -37.54 87.83 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 120.441 -1.412 . . . . 0.0 110.668 176.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.93 -39.58 77.71 Favored 'Isoleucine or valine' 0 C--O 1.251 1.157 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.17 -48.69 78.95 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 125.5 2.571 . . . . 0.0 109.176 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -53.22 -41.83 65.76 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.902 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 0.8 OUTLIER -93.58 -24.23 18.02 Favored 'General case' 0 C--O 1.28 2.688 0 N-CA-C 117.182 2.289 . . . . 0.0 117.182 -175.821 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -123.43 -6.38 8.17 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 123.094 2.679 . . . . 0.0 114.212 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.63 90.01 Favored Glycine 0 CA--C 1.479 -2.17 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.0 mt -79.84 124.71 83.19 Favored Pre-proline 0 C--O 1.243 0.746 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.932 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -56.95 136.89 79.29 Favored 'Trans proline' 0 C--O 1.258 1.516 0 C-N-CA 123.239 2.626 . . . . 0.0 110.768 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.08 -32.0 91.94 Favored 'Trans proline' 0 C--O 1.262 1.676 0 O-C-N 122.97 0.984 . . . . 0.0 113.676 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -15.4 63.54 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.951 -1.718 . . . . 0.0 112.206 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.96 -10.29 29.03 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.63 -1.294 . . . . 0.0 112.054 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -84.8 129.58 34.8 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.339 2.019 . . . . 0.0 115.792 -177.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -121.07 116.16 24.5 Favored 'General case' 0 C--O 1.299 3.69 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 171.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.59 130.11 50.96 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 119.631 1.105 . . . . 0.0 109.953 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -122.02 131.88 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 O-C-N 125.088 1.493 . . . . 0.0 111.926 -177.57 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -144.38 129.49 18.62 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.14 19.67 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.195 -2.275 . . . . 0.0 110.766 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.6 21.74 60.82 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 128.672 3.034 . . . . 0.0 117.542 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.03 142.9 46.01 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.91 130.21 34.61 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 103.729 -2.693 . . . . 0.0 103.729 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mp -79.42 138.08 37.49 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 117.656 -1.164 . . . . 0.0 110.229 -176.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mp0 -101.82 140.04 36.64 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 125.123 1.514 . . . . 0.0 109.949 -177.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -47.96 -42.5 27.76 Favored 'General case' 0 C--O 1.264 1.825 0 N-CA-C 120.76 3.615 . . . . 0.0 120.76 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.86 85.47 Favored Glycine 0 CA--C 1.489 -1.58 0 N-CA-C 116.251 1.26 . . . . 0.0 116.251 -177.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -85.44 165.35 17.25 Favored 'General case' 0 C--O 1.251 1.17 0 O-C-N 119.709 -2.053 . . . . 0.0 108.04 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.6 p -104.43 164.75 11.52 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.49 -36.1 79.51 Favored 'General case' 0 C--O 1.202 -1.428 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -29.46 70.58 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.335 -1.746 . . . . 0.0 112.193 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -39.55 70.88 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.322 1.058 . . . . 0.0 110.617 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -90.73 4.56 51.21 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 117.723 -1.132 . . . . 0.0 113.029 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 58.25 45.17 17.63 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.633 2.015 . . . . 0.0 111.121 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.78 116.46 30.44 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.123 -2.37 . . . . 0.0 106.216 175.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -103.48 169.71 8.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 126.075 2.11 . . . . 0.0 109.406 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -54.88 142.96 27.47 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.293 1.52 . . . . 0.0 109.079 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 66.85 19.31 10.67 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 118.006 2.595 . . . . 0.0 118.006 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -71.2 159.47 34.58 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 174.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.14 126.81 52.49 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 118.182 -0.913 . . . . 0.0 108.847 175.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.4 mt -103.12 154.56 19.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.821 -2.514 . . . . 0.0 105.641 175.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 44' ' ' ILE . 6.1 t-160 -105.71 135.57 46.9 Favored 'General case' 0 C--N 1.287 -2.126 0 O-C-N 127.325 2.891 . . . . 0.0 105.894 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.3 mt -106.8 115.88 30.97 Favored 'General case' 0 C--O 1.285 2.941 0 CA-C-O 117.682 -1.152 . . . . 0.0 111.451 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.09 140.01 28.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 175.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.8 mt -96.18 138.86 33.18 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.204 0.526 . . . . 0.0 109.838 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.277 -2.547 0 CA-C-O 113.208 -3.282 . . . . 0.0 105.592 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -90.91 138.46 31.58 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 127.197 2.811 . . . . 0.0 108.767 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 pt -131.17 163.13 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-O 115.817 -2.04 . . . . 0.0 105.895 173.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.98 140.13 49.57 Favored 'General case' 0 N--CA 1.514 2.761 1 O-C-N 130.604 4.94 . . . . 0.0 108.602 179.794 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -117.88 114.0 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 113.345 -3.217 . . . . 0.0 105.869 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -95.11 127.59 41.28 Favored 'General case' 0 N--CA 1.503 2.18 1 O-C-N 129.177 4.048 . . . . 0.0 108.108 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 53.0 p -99.57 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.791 -1.1 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.37 -6.99 49.71 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 124.106 0.879 . . . . 0.0 112.798 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.0 t -101.22 14.81 30.8 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 115.665 -2.414 . . . . 0.0 111.973 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.59 80.15 Favored Glycine 0 C--N 1.296 -1.65 0 O-C-N 120.277 -1.514 . . . . 0.0 116.093 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -96.27 137.93 34.62 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 p -119.88 131.89 55.38 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 126.355 2.285 . . . . 0.0 106.21 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.51 141.8 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 127.815 3.197 . . . . 0.0 109.109 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.19 139.91 36.22 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 116.982 -1.887 . . . . 0.0 108.405 177.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.58 154.11 44.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 115.524 -2.179 . . . . 0.0 108.305 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -111.91 121.13 44.17 Favored 'General case' 0 N--CA 1.496 1.846 1 O-C-N 129.232 4.082 . . . . 0.0 103.508 174.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 m -139.01 170.64 15.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 O-C-N 127.835 3.209 . . . . 0.0 111.246 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.1 144.63 38.15 Favored Pre-proline 0 C--N 1.312 -1.036 0 CA-C-N 112.019 -2.355 . . . . 0.0 106.273 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -54.91 -24.67 40.11 Favored 'Trans proline' 0 C--N 1.318 -1.053 0 C-N-CA 122.596 2.197 . . . . 0.0 111.591 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 33.7 t -79.89 -8.21 59.18 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 121.142 -0.973 . . . . 0.0 110.964 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -71.0 148.53 47.54 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 117.287 -1.765 . . . . 0.0 109.768 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -83.93 160.52 21.07 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.42 -36.8 75.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 126.957 2.661 . . . . 0.0 110.409 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.635 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 88.6 tt0 -56.14 -42.94 77.72 Favored 'General case' 0 C--O 1.253 1.288 0 O-C-N 120.389 -1.444 . . . . 0.0 110.937 176.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -64.39 -44.55 90.96 Favored 'General case' 0 C--O 1.251 1.137 0 C-N-CA 124.301 1.041 . . . . 0.0 111.394 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.67 -46.18 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 114.294 -1.321 . . . . 0.0 108.971 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 1.198 ' CG ' ' HB3' ' B' ' 38' ' ' PRO . 0.0 OUTLIER -60.75 -38.05 83.89 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.849 -179.688 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.697 ' CA ' ' HE3' ' B' ' 27' ' ' LYS . . . -66.27 -37.97 86.73 Favored 'General case' 0 C--O 1.278 2.584 0 O-C-N 123.381 0.425 . . . . 0.0 111.336 176.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -63.93 -37.53 87.75 Favored 'General case' 0 C--O 1.253 1.28 0 O-C-N 120.431 -1.418 . . . . 0.0 110.821 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 4.5 mt -69.67 -39.78 78.57 Favored 'Isoleucine or valine' 0 C--O 1.254 1.333 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.94 -48.81 78.72 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.634 2.635 . . . . 0.0 109.081 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.43 -41.83 66.48 Favored 'General case' 0 C--O 1.257 1.477 0 CA-C-N 113.605 -1.634 . . . . 0.0 111.797 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.322 0.0 OUTLIER -93.41 -24.17 18.16 Favored 'General case' 0 C--O 1.282 2.763 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -175.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.77 -6.35 7.98 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 122.965 2.621 . . . . 0.0 113.803 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.58 90.05 Favored Glycine 0 CA--C 1.475 -2.407 0 N-CA-C 118.791 2.277 . . . . 0.0 118.791 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.456 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 1.1 mt -79.81 125.06 82.98 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 118.727 -1.189 . . . . 0.0 111.085 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 26.3 Cg_endo -57.21 136.97 79.6 Favored 'Trans proline' 0 C--O 1.256 1.417 0 C-N-CA 122.964 2.443 . . . . 0.0 110.901 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 1.198 ' HB3' ' CG ' ' B' ' 27' ' ' LYS . 26.8 Cg_endo -57.12 -32.23 92.73 Favored 'Trans proline' 0 C--O 1.262 1.684 0 O-C-N 123.022 1.011 . . . . 0.0 113.424 -179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.24 -15.6 63.64 Favored 'General case' 0 C--O 1.264 1.831 0 O-C-N 119.989 -1.694 . . . . 0.0 112.179 -177.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.641 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 1.5 mp0 -95.58 -10.66 28.95 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.502 -1.374 . . . . 0.0 112.136 178.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -84.8 129.61 34.79 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 124.249 1.976 . . . . 0.0 115.778 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -121.15 116.12 24.36 Favored 'General case' 0 C--O 1.299 3.679 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 172.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 mt -103.61 130.31 51.02 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 119.501 1.046 . . . . 0.0 109.964 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.616 ' O ' HG13 ' B' ' 44' ' ' ILE . 0.4 OUTLIER -122.03 131.66 72.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 125.234 1.584 . . . . 0.0 112.06 -177.598 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -144.23 129.88 19.13 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.02 19.37 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 112.002 -2.363 . . . . 0.0 110.676 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.22 59.65 Favored Glycine 0 C--N 1.299 -1.508 0 C-N-CA 128.342 2.877 . . . . 0.0 117.298 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -109.89 143.79 39.3 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 115.285 -2.293 . . . . 0.0 110.903 174.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -87.07 130.31 34.55 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 173.295 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.6 138.46 37.44 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 117.635 -1.174 . . . . 0.0 110.028 -175.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.94 140.0 36.81 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.283 1.615 . . . . 0.0 109.947 -177.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -48.31 -41.95 29.66 Favored 'General case' 0 C--O 1.261 1.695 0 N-CA-C 120.81 3.633 . . . . 0.0 120.81 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.21 -8.59 85.17 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 115.98 1.152 . . . . 0.0 115.98 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mmt-85 -85.64 165.31 17.11 Favored 'General case' 0 C--O 1.251 1.159 0 O-C-N 120.04 -1.859 . . . . 0.0 107.975 176.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 65.7 p -104.32 164.5 11.69 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 177.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.1 -36.39 79.55 Favored 'General case' 0 C--O 1.201 -1.483 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -29.78 70.97 Favored 'General case' 0 C--O 1.267 2.007 0 C-N-CA 117.254 -1.778 . . . . 0.0 112.21 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -39.01 70.36 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.572 1.177 . . . . 0.0 110.795 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -91.13 4.51 52.01 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 117.61 -1.186 . . . . 0.0 112.888 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.83 45.45 18.53 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 121.664 2.029 . . . . 0.0 111.327 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.66 116.21 29.95 Favored 'Isoleucine or valine' 0 C--O 1.272 2.248 0 CA-C-O 114.939 -2.458 . . . . 0.0 106.367 175.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -103.3 169.52 8.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 126.173 2.171 . . . . 0.0 109.7 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.97 142.99 27.81 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 123.15 1.453 . . . . 0.0 109.264 -176.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.02 19.08 10.59 Favored 'General case' 0 C--O 1.255 1.345 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.11 159.57 34.45 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 174.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -119.08 126.59 52.02 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 118.308 -0.853 . . . . 0.0 108.752 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -103.17 154.59 19.15 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 114.67 -2.586 . . . . 0.0 105.731 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -105.61 135.86 46.24 Favored 'General case' 0 C--N 1.284 -2.245 0 O-C-N 127.59 3.056 . . . . 0.0 105.636 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -107.19 115.84 30.87 Favored 'General case' 0 C--O 1.283 2.849 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.452 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.2 t -108.14 139.96 28.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.641 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -96.2 -83.38 0.37 Allowed 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.087 0.47 . . . . 0.0 109.827 178.477 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 . . . . . 0 C--N 1.277 -2.547 0 CA-C-O 113.356 -3.212 . . . . 0.0 105.378 179.276 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 27.2 mttt . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.631 0.729 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.607 -178.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.14 -39.64 75.28 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.704 0.764 . . . . 0.0 111.89 172.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.34 136.07 21.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 125.283 1.433 . . . . 0.0 107.484 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.36 148.07 34.25 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.539 165.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.04 155.16 22.76 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.348 1.03 . . . . 0.0 111.149 173.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.2 127.9 34.01 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.178 -1.374 . . . . 0.0 112.335 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.25 147.69 6.65 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.093 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.84 25.13 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.18 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 4.1 mtt -137.13 161.01 37.31 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -136.61 156.54 48.41 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.105 -1.438 . . . . 0.0 108.826 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -92.74 116.14 28.75 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.37 115.87 29.43 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 172.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.23 -116.04 8.62 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.5 m -113.98 14.46 18.43 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.949 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 12.1 p -111.94 122.52 48.0 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -76.05 119.96 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 174.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.2 p -124.14 119.33 26.48 Favored Pre-proline 0 C--O 1.245 0.856 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -173.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.93 134.89 59.51 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 117.9 -0.934 . . . . 0.0 111.872 173.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -85.74 132.19 34.18 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -11.19 59.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -172.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -67.03 144.42 56.17 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -68.18 125.6 26.9 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 171.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.26 21.57 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.249 1.472 . . . . 0.0 115.316 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -128.41 124.36 36.1 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 175.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -90.97 137.63 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 164.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -151.94 157.82 42.3 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.991 0.9 . . . . 0.0 113.055 175.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 55.1 mt -118.84 131.05 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 113.593 -1.64 . . . . 0.0 108.378 174.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -134.07 137.63 44.78 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -100.17 122.12 42.5 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 170.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 12.0 p -84.08 171.1 13.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.267 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -10.44 59.78 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.67 7.48 14.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.231 -0.187 . . . . 0.0 111.028 170.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t 73.87 -1.38 3.08 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.386 1.474 . . . . 0.0 114.766 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.87 149.87 39.39 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 122.231 1.015 . . . . 0.0 113.015 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mm -102.16 129.14 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.138 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 79.7 m-70 -117.64 125.21 50.33 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -176.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -98.7 119.01 36.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 171.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . 0.544 ' C ' ' CD1' ' C' ' 61' ' ' TRP . 62.3 m -127.78 156.82 41.87 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . 0.544 ' CD1' ' C ' ' C' ' 60' ' ' CYS . 0.4 OUTLIER -130.44 128.22 40.85 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.711 169.358 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -120.61 134.33 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.046 -1.434 . . . . 0.0 109.775 -176.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -74.34 115.34 13.75 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -64.06 -32.34 73.86 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -46.26 55.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -175.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -91.37 -20.47 21.8 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.555 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.53 2.67 60.58 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.743 -0.476 . . . . 0.0 113.748 -171.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.47 130.01 39.68 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.711 1.256 . . . . 0.0 113.172 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 t -84.15 109.05 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 173.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -94.42 -28.92 15.24 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.96 -171.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . 0.512 ' CB ' ' CE3' ' C' ' 61' ' ' TRP . 8.5 t70 -121.92 135.58 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.865 0.84 . . . . 0.0 109.441 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -154.98 103.26 2.39 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 104.492 -2.41 . . . . 0.0 104.492 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.0 123.29 45.35 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.257 -174.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 pt -75.83 124.23 33.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.355 1.074 . . . . 0.0 111.75 168.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 1.3 mt -123.03 130.31 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.358 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.633 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.21 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.45 1.093 . . . . 0.0 110.902 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -54.24 133.85 57.78 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.889 2.393 . . . . 0.0 111.346 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.56 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.613 2.079 . . . . 0.0 116.613 -175.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.42 -33.6 71.53 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.038 0.835 . . . . 0.0 109.602 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 23.6 p -154.9 168.12 28.01 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.427 -1.309 . . . . 0.0 113.601 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -133.38 139.37 46.75 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.434 -1.712 . . . . 0.0 107.037 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . 0.429 ' CE2' ' HD1' ' C' ' 107' ' ' PHE . 6.0 t80 -106.75 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.54 156.54 42.57 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -67.78 142.86 56.09 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.379 177.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 64.6 t -94.33 98.3 2.87 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -60.94 -31.94 91.98 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 N-CA-C 117.807 2.195 . . . . 0.0 117.807 -167.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.15 8.6 34.84 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 117.956 -1.498 . . . . 0.0 112.19 -164.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 25.1 p -85.06 119.66 72.75 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.97 -19.86 34.2 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.97 0.984 . . . . 0.0 114.39 -173.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -65.53 -34.67 78.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.457 0.571 . . . . 0.0 110.035 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.52 13.0 64.86 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.535 -172.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -121.02 17.13 11.69 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 93.2 t -97.08 133.48 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -125.05 151.79 45.16 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.446 1.716 . . . . 0.0 110.458 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.04 135.25 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 9.1 tt -95.35 108.14 20.3 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 169.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -109.28 125.2 52.04 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -171.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -84.84 115.66 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.127 0.892 . . . . 0.0 109.17 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -25.12 68.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.398 -169.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.23 115.17 28.89 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 173.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 32.2 t -91.39 9.09 33.13 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.007 -0.702 . . . . 0.0 110.575 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.71 129.25 38.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 117.942 -1.503 . . . . 0.0 110.501 -165.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 141.75 46.13 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.965 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . 0.417 ' CD1' ' HZ2' ' C' ' 61' ' ' TRP . 0.8 OUTLIER -124.56 126.11 45.28 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 105.898 -1.889 . . . . 0.0 105.898 171.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . 0.46 ' O ' ' CD2' ' C' ' 107' ' ' PHE . 1.7 m-85 -100.84 143.66 30.73 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.748 1.28 . . . . 0.0 110.316 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . 0.476 ' CE2' ' CZ2' ' C' ' 61' ' ' TRP . 4.0 m-85 -137.08 156.72 48.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.307 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.5 126.57 35.29 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.408 175.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 27.3 mmt -62.68 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.258 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -118.9 4.03 11.5 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.243 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.27 135.87 93.81 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.147 1.451 . . . . 0.0 108.664 172.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.29 -41.35 42.64 Favored 'Trans proline' 0 C--O 1.245 0.842 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.422 -174.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 146.94 24.25 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.498 173.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.7 p -83.43 -9.26 59.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.211 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -33.82 56.06 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 123.504 0.722 . . . . 0.0 112.792 -169.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.25 5.88 37.82 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -56.86 -48.8 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.332 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -32.15 70.33 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.522 -173.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -44.07 80.05 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 120.917 0.389 . . . . 0.0 110.875 175.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -55.6 -45.85 77.38 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.98 -1.075 . . . . 0.0 112.35 173.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.53 -43.18 97.42 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.684 0.754 . . . . 0.0 110.348 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -61.8 -43.53 98.66 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.127 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -64.16 -42.33 96.77 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 3.4 t -52.33 -51.91 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.38 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.3 -39.57 87.41 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.32 -46.0 82.07 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.445 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -79.0 -24.4 43.75 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 119.437 -0.905 . . . . 0.0 112.47 -174.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.491 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.12 -36.13 41.1 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.19 174.527 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . 0.491 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.73 -11.1 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -168.547 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -141.2 71.84 27.27 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 169.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.66 167.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.698 1.599 . . . . 0.0 111.672 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo . . . . . 0 C--N 1.289 -2.583 0 C-N-CA 122.545 2.163 . . . . 0.0 111.592 179.829 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 mmt . . . . . 0 CA--C 1.549 0.932 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -91.16 138.21 31.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 126.834 2.584 . . . . 0.0 108.864 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.18 162.95 38.31 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 173.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.94 140.2 49.48 Favored 'General case' 0 N--CA 1.514 2.746 1 O-C-N 130.614 4.946 . . . . 0.0 108.749 179.639 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 CA-C-O 113.471 -3.157 . . . . 0.0 105.588 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 127.48 41.21 Favored 'General case' 0 N--CA 1.507 2.376 1 O-C-N 129.38 4.175 . . . . 0.0 107.951 -178.147 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 56.7 p -99.55 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.389 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -6.86 48.98 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 124.123 0.889 . . . . 0.0 112.664 -177.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -101.66 15.16 29.81 Favored 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 115.718 -2.393 . . . . 0.0 111.953 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.25 16.79 80.2 Favored Glycine 0 C--N 1.297 -1.613 0 O-C-N 120.28 -1.512 . . . . 0.0 116.1 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -96.52 138.08 34.64 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p -120.04 131.59 55.17 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 126.623 2.452 . . . . 0.0 105.926 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.41 141.92 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 127.639 3.087 . . . . 0.0 108.932 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.47 139.71 36.76 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 117.09 -1.844 . . . . 0.0 108.148 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.42 153.97 44.28 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.325 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -111.73 121.1 44.18 Favored 'General case' 0 N--CA 1.5 2.028 1 O-C-N 129.255 4.097 . . . . 0.0 103.665 173.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.97 170.57 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.34 0 O-C-N 127.625 3.078 . . . . 0.0 111.201 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -119.99 144.5 37.68 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 112.298 -2.228 . . . . 0.0 106.363 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -55.03 -24.33 39.46 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.515 2.143 . . . . 0.0 111.913 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -79.97 -8.22 59.22 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.944 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.91 148.41 47.77 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 117.436 -1.706 . . . . 0.0 109.867 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -83.8 160.47 21.2 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 175.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.41 -37.12 76.97 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 O-C-N 127.105 2.753 . . . . 0.0 110.239 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.56 -40.15 78.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.346 -0.846 . . . . 0.0 110.838 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.27 -41.93 80.34 Favored 'General case' 0 C--O 1.262 1.725 0 O-C-N 121.923 -0.485 . . . . 0.0 110.956 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.3 t -58.29 -46.29 89.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -60.87 -37.94 83.87 Favored 'General case' 0 C--O 1.258 1.536 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.741 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.17 87.62 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-N 118.101 0.409 . . . . 0.0 111.15 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -37.42 87.4 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 123.027 1.394 . . . . 0.0 110.751 176.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.98 -39.57 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -48.82 78.4 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 125.568 2.604 . . . . 0.0 109.102 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -41.76 65.62 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.944 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 0.0 OUTLIER -93.61 -24.21 18.0 Favored 'General case' 0 C--O 1.28 2.704 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -175.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -123.42 -6.45 8.17 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 123.154 2.706 . . . . 0.0 114.22 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.65 90.0 Favored Glycine 0 CA--C 1.478 -2.237 0 N-CA-C 118.889 2.315 . . . . 0.0 118.889 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 tp -79.75 124.87 83.27 Favored Pre-proline 0 C--O 1.244 0.799 0 C-N-CA 118.812 -1.155 . . . . 0.0 110.939 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -57.02 136.81 78.94 Favored 'Trans proline' 0 C--O 1.256 1.403 0 C-N-CA 123.365 2.71 . . . . 0.0 110.769 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.14 -31.96 92.0 Favored 'Trans proline' 0 C--O 1.262 1.71 0 O-C-N 123.014 1.008 . . . . 0.0 113.637 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.47 -15.41 63.54 Favored 'General case' 0 C--O 1.261 1.69 0 O-C-N 119.847 -1.783 . . . . 0.0 112.217 -177.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.86 -10.34 29.15 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 120.689 -1.257 . . . . 0.0 112.064 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -84.95 129.61 34.77 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 124.393 2.044 . . . . 0.0 115.738 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.99 116.06 24.36 Favored 'General case' 0 C--O 1.3 3.752 0 N-CA-C 104.957 -2.238 . . . . 0.0 104.957 172.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.54 130.2 50.9 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 119.546 1.066 . . . . 0.0 109.933 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.0 131.94 72.04 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 O-C-N 125.247 1.592 . . . . 0.0 111.922 -177.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -144.44 129.61 18.66 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.07 19.68 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.196 -2.275 . . . . 0.0 110.725 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.67 21.75 60.99 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 128.625 3.012 . . . . 0.0 117.472 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -115.13 142.8 46.16 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 130.26 34.6 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 174.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.45 138.1 37.47 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.193 -175.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -101.77 140.15 36.45 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 125.038 1.461 . . . . 0.0 109.927 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.97 -42.51 27.85 Favored 'General case' 0 C--O 1.264 1.845 0 N-CA-C 120.85 3.648 . . . . 0.0 120.85 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.95 85.37 Favored Glycine 0 CA--C 1.489 -1.539 0 N-CA-C 116.264 1.266 . . . . 0.0 116.264 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -85.28 165.32 17.42 Favored 'General case' 0 C--O 1.251 1.184 0 O-C-N 119.709 -2.054 . . . . 0.0 108.12 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 1.1 p -104.52 164.79 11.5 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -36.07 79.55 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 p -64.23 -29.43 70.54 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.307 -1.757 . . . . 0.0 112.226 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -55.49 -39.53 70.54 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.513 1.149 . . . . 0.0 110.743 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -90.88 4.75 51.0 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 117.67 -1.157 . . . . 0.0 112.974 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 58.0 45.2 18.37 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.626 2.012 . . . . 0.0 111.271 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.8 mt -88.69 116.48 30.43 Favored 'Isoleucine or valine' 0 C--O 1.267 1.989 0 CA-C-O 115.133 -2.365 . . . . 0.0 106.189 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.51 169.68 8.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 126.127 2.142 . . . . 0.0 109.322 -176.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 143.0 27.35 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 123.224 1.488 . . . . 0.0 109.115 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 67.02 19.17 10.57 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 117.899 2.555 . . . . 0.0 117.899 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 174.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.9 p -119.14 126.73 52.3 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 118.199 -0.905 . . . . 0.0 108.788 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mp -103.1 154.49 19.23 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.815 -2.517 . . . . 0.0 105.639 175.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -105.61 135.71 46.52 Favored 'General case' 0 C--N 1.287 -2.113 0 O-C-N 127.283 2.864 . . . . 0.0 105.888 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 tt -106.93 115.85 30.89 Favored 'General case' 0 C--O 1.285 2.965 0 CA-C-O 117.584 -1.198 . . . . 0.0 111.434 176.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 p -108.11 139.88 28.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.09 138.82 33.17 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.305 0.574 . . . . 0.0 109.816 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 . . . . . 0 C--N 1.28 -2.452 0 CA-C-O 113.234 -3.27 . . . . 0.0 105.66 178.601 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.941 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -90.84 138.41 31.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 127.207 2.817 . . . . 0.0 108.887 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.12 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 CA-C-O 115.83 -2.033 . . . . 0.0 105.891 173.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 1.169 ' CZ ' ' HB2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -115.99 140.13 49.57 Favored 'General case' 0 N--CA 1.514 2.727 1 O-C-N 130.526 4.891 . . . . 0.0 108.591 179.785 . . . . . . . . 4 4 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.91 114.09 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-O 113.502 -3.142 . . . . 0.0 105.777 175.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 1.169 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 10.9 tttt -95.13 127.67 41.36 Favored 'General case' 0 N--CA 1.502 2.174 1 O-C-N 129.14 4.025 . . . . 0.0 108.163 -178.138 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 29.2 p -99.62 170.85 8.3 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.772 -1.109 . . . . 0.0 109.26 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -7.07 50.14 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 124.069 0.855 . . . . 0.0 112.829 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.14 14.82 30.73 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 115.68 -2.408 . . . . 0.0 112.063 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.74 80.04 Favored Glycine 0 C--N 1.296 -1.678 0 O-C-N 120.118 -1.614 . . . . 0.0 116.047 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 137.86 34.74 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 174.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 0.636 ' HB ' ' CE1' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -119.88 131.86 55.38 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 126.509 2.381 . . . . 0.0 106.266 176.122 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -109.42 141.76 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 127.726 3.141 . . . . 0.0 109.156 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.0 t -101.22 140.0 36.12 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 116.931 -1.908 . . . . 0.0 108.31 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -126.58 154.04 44.45 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 115.476 -2.202 . . . . 0.0 108.372 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -111.81 121.2 44.41 Favored 'General case' 0 N--CA 1.495 1.814 1 O-C-N 129.28 4.112 . . . . 0.0 103.543 174.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.03 170.68 15.8 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 O-C-N 127.823 3.202 . . . . 0.0 111.277 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -120.09 144.53 37.93 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 112.1 -2.318 . . . . 0.0 106.413 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.86 -24.71 39.97 Favored 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 122.717 2.278 . . . . 0.0 111.563 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -79.91 -8.19 59.18 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.922 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.01 148.58 47.48 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 117.264 -1.775 . . . . 0.0 109.737 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.8 p -83.9 160.43 21.11 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 1.273 HG22 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.38 -36.75 75.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 126.968 2.667 . . . . 0.0 110.392 175.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -43.01 77.89 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.341 -1.474 . . . . 0.0 110.991 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -64.3 -44.53 91.36 Favored 'General case' 0 C--O 1.249 1.064 0 C-N-CA 124.181 0.993 . . . . 0.0 111.471 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -58.56 -46.42 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.86 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -60.75 -37.89 83.35 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.853 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.03 86.76 Favored 'General case' 0 C--O 1.279 2.645 0 O-C-N 123.486 0.492 . . . . 0.0 111.273 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -64.08 -37.4 87.3 Favored 'General case' 0 C--O 1.254 1.301 0 O-C-N 120.449 -1.407 . . . . 0.0 110.844 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -39.73 78.3 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -48.72 79.05 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 125.538 2.59 . . . . 0.0 108.975 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.47 -41.77 66.55 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-N 113.696 -1.593 . . . . 0.0 111.818 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 2.4 mmmp? -93.4 -24.37 18.09 Favored 'General case' 0 C--O 1.281 2.722 0 N-CA-C 117.172 2.286 . . . . 0.0 117.172 -175.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.67 -6.37 8.04 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 122.962 2.619 . . . . 0.0 113.752 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.6 90.0 Favored Glycine 0 CA--C 1.475 -2.436 0 N-CA-C 118.746 2.258 . . . . 0.0 118.746 176.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 5.0 mm -79.89 125.13 82.67 Favored Pre-proline 0 C--O 1.242 0.681 0 C-N-CA 118.701 -1.2 . . . . 0.0 111.056 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.5 Cg_exo -57.12 136.95 79.6 Favored 'Trans proline' 0 C--O 1.257 1.431 0 C-N-CA 122.988 2.459 . . . . 0.0 110.866 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -57.11 -32.29 92.87 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 123.16 1.084 . . . . 0.0 113.431 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.25 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.813 0 O-C-N 119.913 -1.742 . . . . 0.0 112.306 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.628 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 0.5 OUTLIER -95.55 -10.61 29.17 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 120.466 -1.396 . . . . 0.0 112.225 178.44 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -84.8 129.64 34.79 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 124.199 1.952 . . . . 0.0 115.733 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 14.6 mmp_? -121.2 116.09 24.26 Favored 'General case' 0 C--O 1.299 3.676 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 172.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -103.56 130.3 50.95 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.506 1.048 . . . . 0.0 110.013 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mt -122.03 131.56 72.88 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.16 1.538 . . . . 0.0 112.009 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.21 129.83 19.12 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 177.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.21 45.87 19.9 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 111.974 -2.376 . . . . 0.0 110.65 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.95 20.21 59.78 Favored Glycine 0 C--N 1.299 -1.493 0 C-N-CA 128.271 2.844 . . . . 0.0 117.283 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.86 143.8 39.23 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 115.346 -2.264 . . . . 0.0 110.987 174.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -87.17 130.29 34.6 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 104.091 -2.559 . . . . 0.0 104.091 173.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.46 138.38 37.56 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.144 -175.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 1.273 ' O ' HG22 ' B' ' 23' ' ' ILE . 69.6 tt0 -101.92 139.92 36.91 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 125.255 1.597 . . . . 0.0 110.005 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.713 ' HA ' ' CG1' ' B' ' 23' ' ' ILE . 0.3 OUTLIER -48.16 -41.95 28.27 Favored 'General case' 0 C--O 1.262 1.74 0 N-CA-C 120.844 3.646 . . . . 0.0 120.844 -175.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.29 -8.57 85.06 Favored Glycine 0 CA--C 1.492 -1.383 0 N-CA-C 115.96 1.144 . . . . 0.0 115.96 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.462 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.2 OUTLIER -85.55 165.37 17.14 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 120.077 -1.837 . . . . 0.0 108.079 176.364 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 3.9 p -104.38 164.48 11.7 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.05 -36.38 79.44 Favored 'General case' 0 C--O 1.202 -1.44 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.8 p -63.74 -29.73 70.91 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 117.294 -1.763 . . . . 0.0 112.208 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -55.64 -39.03 70.32 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 122.494 1.14 . . . . 0.0 110.74 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -91.14 4.51 52.02 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 117.61 -1.186 . . . . 0.0 112.832 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 57.88 45.42 18.42 Favored 'General case' 0 C--O 1.248 1.001 0 CA-C-N 121.726 2.057 . . . . 0.0 111.25 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.9 mt -88.81 116.19 30.0 Favored 'Isoleucine or valine' 0 C--O 1.27 2.144 0 CA-C-O 115.135 -2.364 . . . . 0.0 106.193 175.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -103.24 169.5 8.51 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 126.067 2.104 . . . . 0.0 109.758 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 142.98 27.18 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.14 1.447 . . . . 0.0 109.266 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.93 19.12 10.65 Favored 'General case' 0 C--O 1.256 1.441 0 N-CA-C 117.841 2.534 . . . . 0.0 117.841 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -71.14 159.59 34.41 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' THR . . . . . 0.729 ' HB ' ' CE2' ' B' ' 4' ' ' PHE . 66.2 p -119.1 126.65 52.15 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 118.217 -0.897 . . . . 0.0 108.814 175.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.18 154.54 19.21 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 114.61 -2.614 . . . . 0.0 105.726 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -105.58 135.78 46.37 Favored 'General case' 0 C--N 1.282 -2.332 0 O-C-N 127.709 3.131 . . . . 0.0 105.781 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.09 115.86 30.91 Favored 'General case' 0 C--O 1.283 2.831 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.411 176.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.14 139.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 N-CA-C 103.462 -2.792 . . . . 0.0 103.462 175.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.628 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -96.17 -83.43 0.37 Allowed 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.044 0.45 . . . . 0.0 109.849 178.374 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.524 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.449 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.59 0 CA-C-O 121.635 0.731 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -89.05 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.558 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.2 -39.54 75.13 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.885 172.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 56.9 t -144.4 136.03 21.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 125.244 1.418 . . . . 0.0 107.447 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.33 148.06 34.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.524 165.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -161.03 155.28 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.307 1.004 . . . . 0.0 111.196 173.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -72.2 127.81 33.72 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-N 114.207 -1.36 . . . . 0.0 112.295 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.098 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.98 164.8 25.13 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.09 -179.22 3.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' MET . . . . . 0.637 ' HG2' ' HB2' ' C' ' 106' ' ' PHE . 0.0 OUTLIER -137.11 161.06 37.15 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.618 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' SER . . . . . 0.504 ' N ' ' SD ' ' C' ' 31' ' ' MET . 70.2 m -136.65 156.51 48.45 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.112 -1.435 . . . . 0.0 108.804 177.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.64 116.16 28.76 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 177.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -112.41 115.84 29.35 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 172.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.23 -116.0 8.57 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 -169.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.97 14.48 18.45 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.417 -0.392 . . . . 0.0 109.995 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -111.98 122.54 48.04 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 34.3 m -76.11 120.0 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.13 119.37 26.49 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.161 -173.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.84 134.83 59.46 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-O 122.383 0.91 . . . . 0.0 111.819 173.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.79 132.17 34.17 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 172.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -11.33 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -172.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.04 144.44 56.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 125.58 26.82 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.24 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.203 1.446 . . . . 0.0 115.337 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.41 124.48 36.38 Favored 'General case' 0 N--CA 1.421 -1.917 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 85.2 t -91.05 137.57 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 164.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -151.9 157.84 42.38 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 122.058 0.932 . . . . 0.0 112.99 175.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 95.3 mt -118.81 131.14 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 113.643 -1.617 . . . . 0.0 108.313 174.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -134.14 137.59 44.62 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.16 122.05 42.38 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.07 171.1 13.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.327 177.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -71.49 -10.5 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.67 -0.812 . . . . 0.0 113.173 -170.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -82.64 7.39 14.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.035 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 19.0 t 73.89 -1.31 3.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.399 1.48 . . . . 0.0 114.755 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.91 149.92 39.29 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.084 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mp -102.26 129.04 54.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.191 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.5 m170 -117.52 125.41 50.8 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -176.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -98.81 118.92 36.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 171.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 81.0 m -127.71 156.89 41.68 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -130.43 128.34 41.12 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.573 -1.649 . . . . 0.0 108.71 169.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -120.75 134.25 55.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.743 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -74.16 115.31 13.5 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.03 -32.39 73.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -176.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 21.6 p -72.55 -46.13 55.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.46 -20.51 21.68 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.516 -176.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.71 60.8 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 119.689 -0.506 . . . . 0.0 113.708 -171.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.5 129.98 39.59 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.646 1.223 . . . . 0.0 113.166 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -94.55 -28.83 15.21 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.898 -171.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -122.0 135.53 54.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.903 0.859 . . . . 0.0 109.386 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.96 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mt -118.12 123.33 45.32 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.213 -174.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 pp -75.91 124.23 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-O 122.396 1.093 . . . . 0.0 111.725 168.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 26.1 mm -122.97 130.35 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.615 -174.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -101.2 158.96 30.81 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.489 1.118 . . . . 0.0 110.881 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.37 133.9 58.46 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.932 2.421 . . . . 0.0 111.282 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.46 6.81 5.89 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -175.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -70.4 -33.54 71.49 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.05 0.841 . . . . 0.0 109.603 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.98 168.13 28.02 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.485 -1.286 . . . . 0.0 113.658 -173.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -133.38 139.3 46.71 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 113.515 -1.675 . . . . 0.0 107.003 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -106.73 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.52 156.47 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -67.82 142.87 56.03 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 96.3 t -94.29 98.31 2.86 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 171.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -61.02 -31.96 91.73 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.783 2.186 . . . . 0.0 117.783 -167.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.12 8.65 34.54 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.981 -1.488 . . . . 0.0 112.259 -164.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 78.2 m -85.13 119.68 72.71 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -56.93 -19.93 34.23 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 122.995 0.997 . . . . 0.0 114.427 -173.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -34.69 78.9 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.426 0.557 . . . . 0.0 110.079 177.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.46 13.03 64.78 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.57 -172.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -120.93 17.06 11.76 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.05 133.45 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -125.02 151.76 45.15 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.438 1.711 . . . . 0.0 110.437 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 13.1 p -127.0 135.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 33.5 tp -95.5 108.12 20.33 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.863 -2.273 . . . . 0.0 104.863 169.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -109.23 125.19 51.99 Favored 'General case' 0 CA--C 1.484 -1.559 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -84.84 115.68 22.88 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.127 0.892 . . . . 0.0 109.17 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -63.45 -25.16 68.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.395 -169.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.22 115.1 28.79 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 173.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . 0.564 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 102.0 172.4 27.6 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -172.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.4 9.0 33.52 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.017 -0.696 . . . . 0.0 110.575 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -70.59 129.15 38.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.588 -165.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 141.81 46.14 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.892 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.56 126.15 45.35 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 171.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . 0.637 ' HB2' ' HG2' ' C' ' 31' ' ' MET . 1.8 m-85 -100.83 143.72 30.65 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 124.73 1.269 . . . . 0.0 110.362 -177.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -137.08 156.64 48.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.251 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -131.46 126.59 35.42 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.544 -0.863 . . . . 0.0 110.397 174.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.63 137.72 58.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.251 -174.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -118.8 3.81 11.59 Favored 'General case' 0 N--CA 1.428 -1.57 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.292 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -61.21 135.88 93.74 Favored Pre-proline 0 C--O 1.266 1.953 0 CA-C-O 123.068 1.413 . . . . 0.0 108.696 172.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.29 -41.36 42.58 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.567 -1.155 . . . . 0.0 112.44 -174.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 146.9 24.25 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.0 110.532 173.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 10.9 t -83.39 -9.3 59.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.199 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -53.57 -33.83 56.17 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.23 5.91 37.87 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -56.96 -48.78 77.53 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.225 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.77 -32.27 70.68 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.548 -173.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -67.34 -43.98 80.22 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 120.928 0.394 . . . . 0.0 110.96 175.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -55.58 -45.85 77.3 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.003 -1.061 . . . . 0.0 112.398 173.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.62 -43.13 97.85 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.618 0.723 . . . . 0.0 110.297 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -43.53 98.67 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.167 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -42.38 96.71 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 77.5 t -52.31 -51.88 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.446 175.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.27 -39.57 87.27 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.24 -46.07 82.08 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.462 -178.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -78.99 -24.54 43.71 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.298 -174.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 5.7 mp -79.04 -36.14 41.49 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.762 -0.775 . . . . 0.0 112.228 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -110.73 -11.08 14.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -168.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.2 71.84 27.28 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 169.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . 0.569 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 72.4 Cg_exo -51.68 -44.69 42.73 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.597 1.531 . . . . 0.0 111.581 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 73.1 Cg_exo . . . . . 0 C--N 1.29 -2.535 0 C-N-CA 122.554 2.169 . . . . 0.0 111.558 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 106.887 -1.524 . . . . 0.0 106.887 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -91.16 138.29 31.71 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 126.836 2.585 . . . . 0.0 108.88 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.22 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -115.99 140.15 49.55 Favored 'General case' 0 N--CA 1.515 2.802 1 O-C-N 130.567 4.917 . . . . 0.0 108.804 179.565 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.4 t -118.05 114.29 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.602 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -95.19 127.53 41.32 Favored 'General case' 0 N--CA 1.505 2.287 1 O-C-N 129.374 4.172 . . . . 0.0 107.974 -178.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.6 p -99.66 170.71 8.38 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.865 -1.064 . . . . 0.0 109.28 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 mt -73.29 -7.03 49.79 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.095 0.872 . . . . 0.0 112.686 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.56 15.12 29.88 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.544 -2.462 . . . . 0.0 112.024 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.29 16.83 80.12 Favored Glycine 0 C--N 1.298 -1.574 0 O-C-N 120.197 -1.564 . . . . 0.0 116.124 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.58 138.11 34.65 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 174.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.92 131.66 55.28 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 126.607 2.442 . . . . 0.0 105.938 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.57 141.87 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.685 3.116 . . . . 0.0 108.867 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -101.29 139.78 36.5 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 117.142 -1.823 . . . . 0.0 108.251 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.53 154.02 44.4 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 115.507 -2.187 . . . . 0.0 108.24 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -111.75 120.97 43.81 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.226 4.079 . . . . 0.0 103.673 173.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -138.97 170.58 16.0 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 O-C-N 127.549 3.031 . . . . 0.0 111.25 -177.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.87 144.48 37.43 Favored Pre-proline 0 C--N 1.314 -0.943 0 CA-C-N 112.39 -2.186 . . . . 0.0 106.362 174.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.411 ' O ' ' OG1' ' A' ' 55' ' ' THR . 65.9 Cg_exo -55.03 -24.3 39.34 Favored 'Trans proline' 0 C--N 1.319 -0.974 0 C-N-CA 122.514 2.143 . . . . 0.0 111.93 177.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.06 -8.12 59.21 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.918 -177.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.0 148.34 47.73 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 117.519 -1.672 . . . . 0.0 109.753 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.7 p -83.7 160.44 21.31 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 175.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.789 HG12 ' HG ' ' A' ' 50' ' ' LEU . 2.0 mp -61.38 -37.11 76.93 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 O-C-N 127.196 2.81 . . . . 0.0 110.236 175.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.57 -40.19 78.4 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.312 -0.867 . . . . 0.0 110.719 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.32 -41.88 80.18 Favored 'General case' 0 C--O 1.262 1.735 0 O-C-N 121.883 -0.51 . . . . 0.0 110.948 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.21 -46.49 88.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 O-C-N 124.446 1.092 . . . . 0.0 109.143 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -60.82 -37.97 83.82 Favored 'General case' 0 C--O 1.258 1.541 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.697 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.07 87.21 Favored 'General case' 0 C--O 1.277 2.54 0 CA-C-N 118.121 0.419 . . . . 0.0 111.149 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -37.42 87.42 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 123.089 1.423 . . . . 0.0 110.719 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 mt -69.98 -39.52 77.53 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -62.23 -48.79 78.41 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.571 2.605 . . . . 0.0 109.079 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -41.83 65.53 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 113.433 -1.712 . . . . 0.0 111.939 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -93.51 -24.32 18.03 Favored 'General case' 0 C--O 1.28 2.705 0 N-CA-C 117.233 2.309 . . . . 0.0 117.233 -175.847 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -123.35 -6.53 8.21 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 123.056 2.662 . . . . 0.0 114.292 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.08 5.61 90.0 Favored Glycine 0 CA--C 1.477 -2.287 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.8 mm -79.78 124.73 83.28 Favored Pre-proline 0 C--O 1.244 0.812 0 C-N-CA 118.872 -1.131 . . . . 0.0 110.977 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -56.88 136.86 78.97 Favored 'Trans proline' 0 C--O 1.258 1.489 0 C-N-CA 123.407 2.738 . . . . 0.0 110.808 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.19 -31.95 92.07 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 123.006 1.003 . . . . 0.0 113.686 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -15.34 63.51 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 119.851 -1.781 . . . . 0.0 112.188 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.98 -10.27 29.02 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 120.633 -1.292 . . . . 0.0 112.025 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -84.8 129.55 34.8 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 124.334 2.016 . . . . 0.0 115.685 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -121.03 116.11 24.42 Favored 'General case' 0 C--O 1.3 3.725 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 171.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.554 ' HB3' HD13 ' A' ' 50' ' ' LEU . 1.6 tp -103.59 130.24 50.97 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 119.548 1.067 . . . . 0.0 109.913 -177.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mt -121.98 131.79 72.36 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 O-C-N 125.135 1.522 . . . . 0.0 111.869 -177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -144.4 129.58 18.67 Favored 'General case' 0 C--N 1.36 1.047 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.18 19.54 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.197 -2.274 . . . . 0.0 110.696 177.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' HA3' ' CD2' ' C' ' 98' ' ' PHE . . . 61.51 21.82 60.72 Favored Glycine 0 N--CA 1.431 -1.644 0 C-N-CA 128.759 3.076 . . . . 0.0 117.506 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -115.1 142.78 46.18 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -85.86 130.31 34.58 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 103.753 -2.684 . . . . 0.0 103.753 174.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.789 ' HG ' HG12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -79.49 138.12 37.45 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 117.649 -1.167 . . . . 0.0 110.22 -175.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -101.71 140.12 36.43 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 125.067 1.48 . . . . 0.0 109.959 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -48.12 -42.42 29.08 Favored 'General case' 0 C--O 1.264 1.83 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.84 85.42 Favored Glycine 0 CA--C 1.49 -1.527 0 N-CA-C 116.191 1.236 . . . . 0.0 116.191 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.446 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -85.3 165.32 17.39 Favored 'General case' 0 C--O 1.251 1.133 0 O-C-N 119.73 -2.041 . . . . 0.0 108.09 176.348 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.6 t -104.45 164.83 11.47 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.55 -36.01 79.4 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -64.13 -29.52 70.64 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.217 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.44 -39.58 70.48 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.451 1.119 . . . . 0.0 110.759 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -90.83 4.72 50.99 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 117.693 -1.146 . . . . 0.0 113.004 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.09 45.27 18.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 121.59 1.996 . . . . 0.0 111.191 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.7 mt -88.8 116.49 30.51 Favored 'Isoleucine or valine' 0 C--O 1.266 1.943 0 CA-C-O 115.187 -2.339 . . . . 0.0 106.227 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.54 169.66 8.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 126.075 2.109 . . . . 0.0 109.334 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -54.91 142.94 27.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 123.256 1.503 . . . . 0.0 109.045 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 67.11 19.1 10.47 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.4 t -71.16 159.51 34.54 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.16 126.81 52.47 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 118.173 -0.918 . . . . 0.0 108.786 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -103.18 154.6 19.15 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.779 -2.534 . . . . 0.0 105.627 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -105.66 135.69 46.62 Favored 'General case' 0 C--N 1.287 -2.125 0 O-C-N 127.287 2.867 . . . . 0.0 105.787 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.2 tp -106.81 115.77 30.77 Favored 'General case' 0 C--O 1.286 3.01 0 CA-C-O 117.533 -1.222 . . . . 0.0 111.551 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.12 139.95 28.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 103.538 -2.764 . . . . 0.0 103.538 175.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.06 138.93 32.97 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.191 0.52 . . . . 0.0 109.827 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.278 -2.508 0 CA-C-O 113.21 -3.281 . . . . 0.0 105.539 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -91.04 138.45 31.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 127.105 2.753 . . . . 0.0 108.798 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.417 HG21 ' N ' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -131.12 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 CA-C-O 115.75 -2.072 . . . . 0.0 105.841 173.295 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 1.084 ' CE2' ' HB ' ' B' ' 12' ' ' THR . 0.1 OUTLIER -115.93 140.22 49.46 Favored 'General case' 0 N--CA 1.515 2.794 1 O-C-N 130.721 5.013 . . . . 0.0 108.599 179.667 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.738 ' N ' ' CD2' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -117.96 114.12 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-O 113.444 -3.17 . . . . 0.0 105.739 175.498 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.976 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.12 127.6 41.3 Favored 'General case' 0 N--CA 1.502 2.146 1 O-C-N 129.122 4.014 . . . . 0.0 108.153 -178.147 . . . . . . . . 4 4 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.3 t -99.54 170.85 8.31 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.286 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.38 -7.03 49.93 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.114 0.884 . . . . 0.0 112.864 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.2 m -101.2 14.78 30.88 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 115.673 -2.411 . . . . 0.0 111.929 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.53 16.61 80.1 Favored Glycine 0 C--N 1.296 -1.649 0 O-C-N 120.176 -1.577 . . . . 0.0 116.089 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.24 137.87 34.69 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 105.526 -2.027 . . . . 0.0 105.526 174.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 1.084 ' HB ' ' CE2' ' B' ' 4' ' ' PHE . 0.5 OUTLIER -119.86 131.99 55.43 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 126.301 2.251 . . . . 0.0 106.198 176.095 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -109.55 141.73 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 127.706 3.129 . . . . 0.0 109.093 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p -101.13 139.85 36.24 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 116.989 -1.884 . . . . 0.0 108.447 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -126.44 154.07 44.18 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 115.512 -2.185 . . . . 0.0 108.463 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -111.84 121.14 44.25 Favored 'General case' 0 N--CA 1.497 1.891 1 O-C-N 129.224 4.077 . . . . 0.0 103.504 174.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 p -139.04 170.58 15.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.296 0 O-C-N 127.732 3.145 . . . . 0.0 111.247 -177.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.01 144.65 38.06 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.098 -2.319 . . . . 0.0 106.346 174.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.94 -24.77 40.85 Favored 'Trans proline' 0 C--N 1.317 -1.085 0 C-N-CA 122.761 2.308 . . . . 0.0 111.516 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.85 -8.24 59.18 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.901 -177.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.93 148.49 47.67 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 117.298 -1.761 . . . . 0.0 109.759 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.83 160.47 21.17 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 8.2 mm -61.38 -36.8 75.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 126.962 2.664 . . . . 0.0 110.427 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.772 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.14 -42.89 77.66 Favored 'General case' 0 C--O 1.252 1.213 0 O-C-N 120.434 -1.416 . . . . 0.0 111.015 176.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.5 -44.47 90.83 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 124.217 1.007 . . . . 0.0 111.366 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.63 -46.29 90.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.81 1.319 . . . . 0.0 108.957 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.804 ' O ' ' NE2' ' B' ' 31' ' ' GLN . 17.0 mttt -60.77 -37.86 83.29 Favored 'General case' 0 C--O 1.255 1.353 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.941 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.62 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -66.4 -37.9 86.27 Favored 'General case' 0 C--O 1.278 2.591 0 O-C-N 123.416 0.447 . . . . 0.0 111.313 176.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -64.06 -37.42 87.36 Favored 'General case' 0 C--O 1.255 1.355 0 O-C-N 120.507 -1.37 . . . . 0.0 110.835 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mt -69.76 -39.74 78.3 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . 1.199 ' OE1' ' O ' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -61.96 -48.77 78.88 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.547 2.594 . . . . 0.0 109.036 179.608 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.33 -41.9 66.19 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.835 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.319 3.1 ttmt -93.49 -24.22 18.08 Favored 'General case' 0 C--O 1.28 2.709 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 -175.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -123.66 -6.24 8.05 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 122.921 2.6 . . . . 0.0 113.778 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.92 5.65 89.96 Favored Glycine 0 CA--C 1.475 -2.45 0 N-CA-C 118.748 2.259 . . . . 0.0 118.748 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 1.199 ' O ' ' OE1' ' B' ' 31' ' ' GLN . 11.8 mt -80.02 125.01 82.68 Favored Pre-proline 0 C--O 1.242 0.683 0 C-N-CA 118.677 -1.209 . . . . 0.0 111.047 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 79.7 Cg_exo -57.08 136.96 79.7 Favored 'Trans proline' 0 C--O 1.256 1.423 0 C-N-CA 122.88 2.387 . . . . 0.0 110.958 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . 0.789 ' HG3' ' HG3' ' B' ' 31' ' ' GLN . 35.8 Cg_exo -57.19 -32.11 92.57 Favored 'Trans proline' 0 C--O 1.262 1.708 0 O-C-N 123.009 1.005 . . . . 0.0 113.38 -179.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -68.35 -15.49 63.58 Favored 'General case' 0 C--O 1.264 1.862 0 O-C-N 120.056 -1.653 . . . . 0.0 112.219 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.658 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 2.0 mm100 -95.6 -10.62 29.02 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.378 -1.451 . . . . 0.0 112.16 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -84.89 129.61 34.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 124.252 1.977 . . . . 0.0 115.759 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.662 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 12.1 mmp_? -121.15 116.24 24.58 Favored 'General case' 0 C--O 1.298 3.63 0 N-CA-C 104.744 -2.317 . . . . 0.0 104.744 172.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mt -103.68 130.29 51.13 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 119.522 1.055 . . . . 0.0 109.964 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.63 ' C ' ' CD2' ' B' ' 45' ' ' PHE . 0.7 OUTLIER -122.04 131.58 72.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 125.077 1.486 . . . . 0.0 112.032 -177.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.774 ' N ' ' CD2' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.28 129.85 19.06 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 105.302 -2.11 . . . . 0.0 105.302 177.429 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.43 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . . . 48.18 45.99 19.77 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 112.051 -2.341 . . . . 0.0 110.62 177.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 20.28 59.59 Favored Glycine 0 C--N 1.297 -1.603 0 C-N-CA 128.263 2.84 . . . . 0.0 117.389 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -109.93 143.83 39.3 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 115.383 -2.246 . . . . 0.0 110.905 174.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -87.21 130.32 34.61 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 103.972 -2.603 . . . . 0.0 103.972 173.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' B' ' 45' ' ' PHE . 1.4 mm? -79.49 138.39 37.53 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 117.573 -1.203 . . . . 0.0 110.136 -175.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.92 140.12 36.63 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 125.273 1.608 . . . . 0.0 109.932 -177.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.772 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.4 OUTLIER -48.36 -42.17 30.76 Favored 'General case' 0 C--O 1.264 1.816 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.695 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.0 -8.71 85.36 Favored Glycine 0 N--CA 1.476 1.307 0 N-CA-C 115.967 1.147 . . . . 0.0 115.967 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 165.18 17.32 Favored 'General case' 0 C--O 1.251 1.181 0 O-C-N 120.237 -1.743 . . . . 0.0 108.094 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.9 p -104.24 164.51 11.67 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.06 -36.53 79.85 Favored 'General case' 0 C--O 1.201 -1.457 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -63.6 -29.85 71.04 Favored 'General case' 0 C--O 1.267 1.981 0 C-N-CA 117.326 -1.75 . . . . 0.0 112.201 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -55.64 -38.95 70.21 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 122.591 1.186 . . . . 0.0 110.812 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.738 ' CZ ' ' HB2' ' B' ' 45' ' ' PHE . 28.4 t80 -91.08 4.35 52.37 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 117.582 -1.199 . . . . 0.0 112.872 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.99 45.41 18.09 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 121.713 2.051 . . . . 0.0 111.261 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.0 OUTLIER -88.83 116.32 30.23 Favored 'Isoleucine or valine' 0 C--O 1.269 2.114 0 CA-C-O 115.065 -2.397 . . . . 0.0 106.302 175.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.37 169.48 8.52 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 126.144 2.153 . . . . 0.0 109.712 -176.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -54.85 142.98 27.29 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 123.225 1.488 . . . . 0.0 109.229 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.07 18.99 10.53 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.1 t -71.12 159.58 34.44 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.0 t -119.06 126.6 52.07 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 118.221 -0.895 . . . . 0.0 108.772 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.525 ' HG ' ' HA ' ' B' ' 5' ' ' VAL . 2.5 pp -103.14 154.57 19.16 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.66 -2.59 . . . . 0.0 105.768 175.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -105.65 135.85 46.32 Favored 'General case' 0 C--N 1.282 -2.336 0 O-C-N 127.473 2.983 . . . . 0.0 105.636 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.3 tp -107.15 115.81 30.83 Favored 'General case' 0 C--O 1.284 2.882 0 CA-C-O 117.572 -1.204 . . . . 0.0 111.393 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -108.12 139.94 28.43 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 N-CA-C 103.411 -2.811 . . . . 0.0 103.411 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.658 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.11 -83.4 0.37 Allowed 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.15 0.5 . . . . 0.0 109.876 178.325 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.277 -2.546 0 CA-C-O 113.399 -3.191 . . . . 0.0 105.415 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.585 0.707 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -89.12 137.86 31.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.557 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.18 -39.6 75.15 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.603 0.716 . . . . 0.0 111.833 172.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 t -144.37 136.06 21.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.247 1.419 . . . . 0.0 107.472 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -144.37 147.99 34.12 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.603 165.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -160.94 155.29 23.16 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 124.324 1.015 . . . . 0.0 111.257 173.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.27 127.83 33.78 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-N 114.295 -1.32 . . . . 0.0 112.34 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.19 147.66 6.72 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.062 0.934 . . . . 0.0 110.098 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.01 164.84 25.11 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.12 -179.2 3.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' MET . . . . . 0.524 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.11 161.11 37.03 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.673 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' SER . . . . . 0.524 ' N ' ' HG2' ' C' ' 31' ' ' MET . 5.4 m -136.67 156.41 48.57 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 118.156 -1.418 . . . . 0.0 108.8 177.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 116.14 28.74 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.944 -1.872 . . . . 0.0 105.944 177.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.32 115.83 29.38 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 172.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.22 -116.0 8.57 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.0 14.56 18.43 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.416 -0.392 . . . . 0.0 109.994 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -112.06 122.46 47.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -172.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -76.11 120.01 25.28 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -124.05 119.41 26.58 Favored Pre-proline 0 C--O 1.245 0.866 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.141 -173.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.84 59.27 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 CA-C-O 122.309 0.879 . . . . 0.0 111.836 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -85.74 132.11 34.2 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 172.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.88 -11.25 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -172.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 144.5 55.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -173.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -68.12 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 171.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.38 171.26 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.299 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 8.4 tp -128.37 124.41 36.33 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 175.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -91.03 137.64 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 164.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -152.0 157.76 42.15 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.041 0.924 . . . . 0.0 113.017 175.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 82.9 mt -118.8 131.08 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 113.602 -1.636 . . . . 0.0 108.351 174.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.07 137.64 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-N 115.019 -0.992 . . . . 0.0 108.338 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -100.16 122.01 42.33 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.06 171.11 13.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.291 177.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.52 -10.45 59.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.67 -0.812 . . . . 0.0 113.165 -170.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.66 7.45 14.74 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.987 170.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t 73.71 -1.23 3.12 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.505 1.522 . . . . 0.0 114.744 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.84 149.94 39.42 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.116 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 mm -102.21 129.06 54.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.197 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.5 OUTLIER -117.59 125.35 50.62 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -176.488 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -98.73 119.0 36.73 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 171.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 14.6 m -127.74 156.94 41.63 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -171.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -130.53 128.33 40.93 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.702 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -120.72 134.36 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.772 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -74.28 115.28 13.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 173.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -64.04 -32.4 73.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -176.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 68.8 p -72.51 -46.13 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -91.39 -20.57 21.67 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.539 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.71 60.93 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-O 119.778 -0.457 . . . . 0.0 113.775 -171.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.57 130.04 39.69 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.606 1.203 . . . . 0.0 113.157 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -84.1 109.07 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 173.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.44 -28.92 15.23 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.946 -171.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.97 135.56 54.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.82 0.819 . . . . 0.0 109.383 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -154.99 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mp -118.08 123.2 45.05 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.296 -174.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.87 124.28 33.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.432 1.111 . . . . 0.0 111.715 168.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . 0.554 ' CG2' HD23 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -122.97 130.43 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.615 -174.36 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.31 158.91 30.88 Favored Pre-proline 0 C--O 1.241 0.652 0 O-C-N 124.463 1.102 . . . . 0.0 110.856 173.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.34 133.92 58.46 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.92 2.413 . . . . 0.0 111.31 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.58 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -70.47 -33.55 71.39 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.038 0.835 . . . . 0.0 109.579 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 20.4 p -154.93 168.16 27.89 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.43 -1.308 . . . . 0.0 113.639 -173.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.45 139.29 46.62 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 113.441 -1.709 . . . . 0.0 107.009 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -106.67 124.16 49.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -148.51 156.46 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.8 142.76 56.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.449 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.15 98.42 2.87 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 171.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.1 -31.96 91.08 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 N-CA-C 117.742 2.17 . . . . 0.0 117.742 -167.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.12 8.66 34.5 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.981 -1.488 . . . . 0.0 112.259 -164.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.09 119.59 72.65 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.83 -19.95 33.64 Favored 'Trans proline' 0 C--N 1.346 0.431 0 O-C-N 122.937 0.967 . . . . 0.0 114.437 -173.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -65.54 -34.52 78.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.383 0.538 . . . . 0.0 110.137 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 12.99 64.73 Favored Glycine 0 CA--C 1.506 -0.492 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.505 -172.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . 0.472 HH11 ' HD3' ' C' ' 92' ' ' ARG . 1.3 mmt180 -120.98 17.13 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 69.7 t -97.05 133.45 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -125.03 151.85 45.05 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.481 1.738 . . . . 0.0 110.408 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 4.5 p -127.06 135.27 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 tp -95.34 108.15 20.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 169.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -109.28 125.16 52.0 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -171.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.401 ' CD2' ' HA3' ' A' ' 47' ' ' GLY . 68.4 m-85 -84.77 115.64 22.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.026 0.828 . . . . 0.0 109.189 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -25.19 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.356 -169.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.24 115.19 28.93 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 173.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . 0.662 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.88 172.48 27.76 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -172.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.38 8.95 33.71 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.047 -0.678 . . . . 0.0 110.482 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -70.66 129.24 38.63 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 141.84 46.21 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.908 175.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 14.6 mt -124.63 126.19 45.35 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . 0.458 ' HB2' ' SD ' ' C' ' 31' ' ' MET . 15.9 m-85 -100.85 143.65 30.76 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 124.718 1.261 . . . . 0.0 110.336 -177.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -137.03 156.64 48.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.294 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -131.43 126.59 35.48 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.589 -0.845 . . . . 0.0 110.416 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 5.0 mmt -62.72 137.74 58.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.264 -174.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -118.83 3.97 11.55 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.271 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.34 135.96 93.97 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.146 1.451 . . . . 0.0 108.637 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.3 -41.38 42.32 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 117.611 -1.126 . . . . 0.0 112.363 -174.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 146.95 24.23 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 121.138 0.494 . . . . 0.0 110.479 173.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 80.9 p -83.48 -9.23 59.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.182 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -53.57 -33.82 56.15 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -103.23 5.89 37.86 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -56.87 -48.86 77.14 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.0 -1.08 . . . . 0.0 110.247 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -69.83 -32.22 70.53 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.543 -173.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.27 -44.03 80.34 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -55.65 -45.88 77.56 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.025 -1.047 . . . . 0.0 112.249 173.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 9.6 t -60.61 -43.02 97.92 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.681 0.753 . . . . 0.0 110.336 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -43.51 98.7 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.072 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -64.22 -42.3 96.63 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 11.3 t -52.31 -51.93 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.386 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.3 -39.48 87.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.37 -45.97 81.96 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.453 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -78.98 -24.51 43.76 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.474 -0.89 . . . . 0.0 112.394 -174.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.705 HD22 ' O ' ' C' ' 128' ' ' LEU . 0.3 OUTLIER -79.04 -36.06 41.61 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.711 -0.795 . . . . 0.0 112.254 174.518 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.82 -11.04 14.41 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -168.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -141.18 71.81 27.37 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 169.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . 0.561 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 60.2 Cg_exo -52.4 -45.18 41.42 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.59 1.527 . . . . 0.0 111.645 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 92.3 Cg_endo . . . . . 0 C--N 1.289 -2.59 0 C-N-CA 122.426 2.084 . . . . 0.0 111.654 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 CA--C 1.55 0.953 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.07 138.21 31.77 Favored 'General case' 0 C--O 1.264 1.821 0 O-C-N 126.946 2.654 . . . . 0.0 108.968 178.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.28 163.02 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.343 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 173.538 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.405 ' N ' HG21 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -115.99 140.21 49.49 Favored 'General case' 0 N--CA 1.513 2.682 1 O-C-N 130.51 4.881 . . . . 0.0 108.705 179.727 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.5 t -118.14 114.23 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-O 113.426 -3.178 . . . . 0.0 105.578 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -95.19 127.58 41.36 Favored 'General case' 0 N--CA 1.507 2.392 1 O-C-N 129.381 4.176 . . . . 0.0 107.899 -178.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.8 p -99.67 170.72 8.37 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.89 -1.053 . . . . 0.0 109.294 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -7.0 49.7 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.153 0.908 . . . . 0.0 112.656 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.8 p -101.54 15.03 30.17 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.694 -2.403 . . . . 0.0 112.059 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.31 16.76 80.16 Favored Glycine 0 C--N 1.298 -1.54 0 O-C-N 120.159 -1.588 . . . . 0.0 116.106 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 138.1 34.51 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 175.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.01 131.68 55.22 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 126.574 2.421 . . . . 0.0 105.916 176.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.6 141.97 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 127.562 3.039 . . . . 0.0 108.831 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 t -101.4 139.68 36.74 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 117.124 -1.83 . . . . 0.0 108.252 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mp -126.46 154.07 44.21 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 115.384 -2.246 . . . . 0.0 108.303 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -111.86 120.99 43.81 Favored 'General case' 0 N--CA 1.499 1.985 1 O-C-N 129.277 4.11 . . . . 0.0 103.709 173.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.85 170.55 16.15 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 O-C-N 127.467 2.979 . . . . 0.0 111.184 -177.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.958 0 CA-C-N 112.327 -2.215 . . . . 0.0 106.355 174.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 55' ' ' THR . 67.8 Cg_exo -54.99 -24.38 39.37 Favored 'Trans proline' 0 C--N 1.321 -0.883 0 C-N-CA 122.465 2.11 . . . . 0.0 111.967 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -79.92 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.918 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.04 148.4 47.6 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 117.483 -1.687 . . . . 0.0 109.796 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.74 160.45 21.26 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 175.755 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.9 mm -61.38 -37.17 77.07 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 O-C-N 127.18 2.8 . . . . 0.0 110.296 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -40.2 78.21 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.322 -0.861 . . . . 0.0 110.745 177.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -68.19 -42.0 80.59 Favored 'General case' 0 C--O 1.262 1.716 0 O-C-N 121.83 -0.544 . . . . 0.0 110.979 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -46.51 88.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 124.402 1.064 . . . . 0.0 109.141 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.75 -37.9 83.36 Favored 'General case' 0 C--O 1.258 1.536 0 CA-C-O 118.872 -0.585 . . . . 0.0 110.731 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.17 87.4 Favored 'General case' 0 C--O 1.277 2.532 0 CA-C-N 118.186 0.448 . . . . 0.0 111.134 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -64.09 -37.5 87.68 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-O 123.012 1.387 . . . . 0.0 110.666 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mt -69.99 -39.45 77.42 Favored 'Isoleucine or valine' 0 C--O 1.251 1.175 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.39 -48.59 79.07 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 125.481 2.563 . . . . 0.0 109.073 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -41.74 65.89 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-N 113.56 -1.655 . . . . 0.0 111.937 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 22.0 tttt -93.6 -24.19 18.01 Favored 'General case' 0 C--O 1.28 2.669 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -175.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -123.44 -6.52 8.16 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.115 2.689 . . . . 0.0 114.278 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.64 89.95 Favored Glycine 0 CA--C 1.479 -2.187 0 N-CA-C 118.811 2.285 . . . . 0.0 118.811 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.9 tt -79.78 124.7 83.3 Favored Pre-proline 0 C--O 1.245 0.821 0 C-N-CA 118.891 -1.124 . . . . 0.0 110.898 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -56.88 136.91 79.24 Favored 'Trans proline' 0 C--O 1.26 1.597 0 C-N-CA 123.317 2.678 . . . . 0.0 110.804 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.25 -31.93 92.16 Favored 'Trans proline' 0 C--O 1.262 1.701 0 O-C-N 123.014 1.007 . . . . 0.0 113.677 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -68.39 -15.39 63.54 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 119.811 -1.805 . . . . 0.0 112.323 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -95.92 -10.36 28.94 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.677 -1.264 . . . . 0.0 112.029 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -84.81 129.58 34.8 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 124.345 2.021 . . . . 0.0 115.749 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -121.04 116.09 24.39 Favored 'General case' 0 C--O 1.3 3.711 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 171.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.0 mt -103.52 130.13 50.85 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 119.535 1.061 . . . . 0.0 110.017 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.41 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -122.02 131.84 72.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 O-C-N 125.229 1.58 . . . . 0.0 111.897 -177.487 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -144.38 129.54 18.65 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.25 46.06 20.01 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.21 -2.268 . . . . 0.0 110.697 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.59 21.72 60.77 Favored Glycine 0 N--CA 1.432 -1.575 0 C-N-CA 128.61 3.005 . . . . 0.0 117.534 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.05 142.8 46.15 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.78 130.29 34.6 Favored 'General case' 0 C--O 1.258 1.546 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 174.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 mt -79.5 138.1 37.43 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 117.67 -1.157 . . . . 0.0 110.212 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -101.67 140.16 36.33 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.103 1.502 . . . . 0.0 110.0 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -47.98 -42.53 28.0 Favored 'General case' 0 C--O 1.264 1.828 0 N-CA-C 120.82 3.637 . . . . 0.0 120.82 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.94 85.38 Favored Glycine 0 CA--C 1.49 -1.507 0 N-CA-C 116.22 1.248 . . . . 0.0 116.22 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -85.36 165.29 17.37 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 119.769 -2.018 . . . . 0.0 108.136 176.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.6 t -104.51 164.86 11.45 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.63 -35.96 79.4 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -29.43 70.55 Favored 'General case' 0 C--O 1.267 2.025 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.251 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -39.66 70.64 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.447 1.118 . . . . 0.0 110.643 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -90.75 4.67 50.96 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 117.679 -1.153 . . . . 0.0 112.977 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 m120 58.04 45.2 18.26 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 121.626 2.012 . . . . 0.0 111.22 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mt -88.71 116.53 30.53 Favored 'Isoleucine or valine' 0 C--O 1.267 1.982 0 CA-C-O 115.19 -2.338 . . . . 0.0 106.18 175.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -103.53 169.61 8.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 126.046 2.091 . . . . 0.0 109.398 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 142.87 27.58 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 123.272 1.51 . . . . 0.0 109.17 -176.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 67.05 19.3 10.52 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 117.96 2.578 . . . . 0.0 117.96 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.22 159.54 34.45 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 174.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.21 126.82 52.44 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 118.119 -0.943 . . . . 0.0 108.769 175.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mt -103.21 154.6 19.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.669 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -105.67 135.62 46.75 Favored 'General case' 0 C--N 1.285 -2.202 0 O-C-N 127.375 2.922 . . . . 0.0 105.875 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tt -106.81 115.8 30.82 Favored 'General case' 0 C--O 1.286 2.994 0 CA-C-O 117.591 -1.195 . . . . 0.0 111.464 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.15 139.99 28.29 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 N-CA-C 103.544 -2.762 . . . . 0.0 103.544 175.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.12 138.83 33.17 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.292 0.567 . . . . 0.0 109.74 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.276 2.451 0 CA-C-O 113.146 -3.311 . . . . 0.0 105.574 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mmt . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -91.02 138.48 31.57 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 127.135 2.772 . . . . 0.0 108.837 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pp -131.12 163.09 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 CA-C-O 115.844 -2.027 . . . . 0.0 105.883 173.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . 1.083 ' CE1' ' HB ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -116.03 140.29 49.41 Favored 'General case' 0 N--CA 1.515 2.784 1 O-C-N 130.579 4.924 . . . . 0.0 108.533 179.763 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.739 ' N ' ' CD1' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -117.99 113.95 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 113.39 -3.195 . . . . 0.0 105.824 175.513 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.822 ' CB ' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.01 127.63 41.21 Favored 'General case' 0 N--CA 1.503 2.215 1 O-C-N 129.186 4.054 . . . . 0.0 108.184 -178.176 . . . . . . . . 4 4 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -7.0 49.74 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 124.066 0.854 . . . . 0.0 112.81 -178.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.2 t -101.24 14.82 30.77 Favored 'General case' 0 N--CA 1.506 2.335 0 C-N-CA 115.697 -2.401 . . . . 0.0 111.974 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.56 16.52 80.16 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 120.224 -1.547 . . . . 0.0 116.084 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 137.97 34.5 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 174.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' THR . . . . . 1.083 ' HB ' ' CE1' ' B' ' 4' ' ' PHE . 0.4 OUTLIER -119.98 131.93 55.33 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 126.437 2.335 . . . . 0.0 106.174 176.077 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mp -109.5 141.68 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 127.689 3.118 . . . . 0.0 109.102 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.6 p -101.16 140.0 36.06 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 116.961 -1.896 . . . . 0.0 108.388 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 mt -126.63 153.92 44.69 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 115.501 -2.19 . . . . 0.0 108.343 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.7 121.09 44.18 Favored 'General case' 0 N--CA 1.496 1.848 1 O-C-N 129.249 4.093 . . . . 0.0 103.656 173.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.03 170.64 15.85 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 O-C-N 127.869 3.23 . . . . 0.0 111.237 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.01 144.58 37.9 Favored Pre-proline 0 C--N 1.312 -1.036 0 CA-C-N 112.1 -2.318 . . . . 0.0 106.339 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -54.94 -24.65 40.31 Favored 'Trans proline' 0 C--N 1.317 -1.094 0 C-N-CA 122.691 2.26 . . . . 0.0 111.558 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.6 p -79.91 -8.19 59.18 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.931 -177.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.9 148.53 47.67 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 117.38 -1.728 . . . . 0.0 109.735 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.88 160.52 21.11 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 18.0 mm -61.44 -36.77 75.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 126.977 2.673 . . . . 0.0 110.329 175.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.18 -42.87 77.76 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 120.447 -1.408 . . . . 0.0 110.988 176.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -64.5 -44.52 90.68 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.247 1.019 . . . . 0.0 111.405 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -46.3 90.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.86 1.35 . . . . 0.0 109.0 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -60.77 -37.92 83.49 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.826 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.99 86.57 Favored 'General case' 0 C--O 1.278 2.589 0 O-C-N 123.313 0.383 . . . . 0.0 111.309 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -64.01 -37.44 87.44 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 122.992 1.377 . . . . 0.0 110.859 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -39.73 78.45 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.96 -48.81 78.7 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 125.44 2.543 . . . . 0.0 109.041 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.37 -41.86 66.28 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.815 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.321 9.7 mtpt -93.45 -24.24 18.1 Favored 'General case' 0 C--O 1.281 2.732 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -123.68 -6.3 8.04 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 122.958 2.617 . . . . 0.0 113.785 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.59 90.02 Favored Glycine 0 CA--C 1.477 -2.308 0 N-CA-C 118.665 2.226 . . . . 0.0 118.665 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 36.4 mm -79.83 124.99 83.07 Favored Pre-proline 0 C--O 1.242 0.667 0 C-N-CA 118.749 -1.18 . . . . 0.0 111.044 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 80.5 Cg_exo -57.06 136.99 79.95 Favored 'Trans proline' 0 C--O 1.256 1.424 0 C-N-CA 122.944 2.43 . . . . 0.0 110.895 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -57.26 -32.21 92.99 Favored 'Trans proline' 0 C--O 1.261 1.657 0 O-C-N 123.116 1.061 . . . . 0.0 113.367 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.17 -15.62 63.66 Favored 'General case' 0 C--O 1.264 1.831 0 O-C-N 119.973 -1.704 . . . . 0.0 112.27 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.782 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 6.9 mm-40 -95.47 -10.69 29.11 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.562 -1.337 . . . . 0.0 112.209 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -84.82 129.66 34.78 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 124.27 1.986 . . . . 0.0 115.755 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.22 116.24 24.53 Favored 'General case' 0 C--O 1.298 3.621 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 172.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.65 130.22 51.07 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.457 1.026 . . . . 0.0 109.977 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mm -121.99 131.57 72.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.063 1.477 . . . . 0.0 112.044 -177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.21 129.75 19.04 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.26 45.88 20.06 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 112.042 -2.344 . . . . 0.0 110.622 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.96 20.22 59.82 Favored Glycine 0 C--N 1.298 -1.562 0 C-N-CA 128.22 2.819 . . . . 0.0 117.324 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.91 143.91 39.16 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 115.385 -2.245 . . . . 0.0 110.908 174.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.431 ' CB ' ' HE2' ' C' ' 99' ' ' LYS . 0.9 OUTLIER -87.13 130.32 34.57 Favored 'General case' 0 C--N 1.28 -2.418 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 173.339 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.62 138.42 37.42 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.159 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -101.94 140.0 36.82 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 125.175 1.547 . . . . 0.0 109.884 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.583 ' O ' ' HG3' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -48.13 -42.14 28.45 Favored 'General case' 0 C--O 1.262 1.723 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -175.839 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.14 -8.67 85.19 Favored Glycine 0 CA--C 1.492 -1.353 0 N-CA-C 115.924 1.13 . . . . 0.0 115.924 -177.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -85.61 165.32 17.13 Favored 'General case' 0 C--O 1.251 1.146 0 O-C-N 120.15 -1.794 . . . . 0.0 108.069 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 76.8 p -104.4 164.52 11.68 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.703 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.5 OUTLIER -61.08 -36.31 79.3 Favored 'General case' 0 C--O 1.201 -1.452 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.213 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -29.65 70.81 Favored 'General case' 0 C--O 1.266 1.954 0 C-N-CA 117.267 -1.773 . . . . 0.0 112.167 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.7 -39.03 70.48 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.548 1.166 . . . . 0.0 110.755 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -91.07 4.44 52.13 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.63 -1.176 . . . . 0.0 112.903 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.6 t30 57.91 45.53 18.15 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 121.77 2.077 . . . . 0.0 111.229 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.703 ' CG2' ' O ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -88.88 116.25 30.14 Favored 'Isoleucine or valine' 0 C--O 1.27 2.142 0 CA-C-O 115.045 -2.407 . . . . 0.0 106.214 175.838 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.34 169.5 8.51 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 126.144 2.152 . . . . 0.0 109.693 -176.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 143.01 27.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.128 1.442 . . . . 0.0 109.283 -176.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 66.92 19.17 10.64 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.14 159.62 34.35 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -119.1 126.62 52.08 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 118.248 -0.882 . . . . 0.0 108.75 175.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.18 154.56 19.19 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 114.715 -2.564 . . . . 0.0 105.715 174.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -105.61 135.74 46.46 Favored 'General case' 0 C--N 1.283 -2.295 0 O-C-N 127.532 3.02 . . . . 0.0 105.751 177.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.06 115.88 30.95 Favored 'General case' 0 C--O 1.283 2.864 0 CA-C-O 117.626 -1.178 . . . . 0.0 111.424 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 p -108.2 139.85 28.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 N-CA-C 103.474 -2.788 . . . . 0.0 103.474 175.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.782 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.08 -83.43 0.37 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 121.164 0.507 . . . . 0.0 109.805 178.439 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.638 ' N ' ' HG ' ' B' ' 71' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.278 -2.5 0 CA-C-O 113.449 -3.167 . . . . 0.0 105.466 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 tttt . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.629 0.728 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -89.05 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.558 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' C' ' 127' ' ' TYR . 0.1 OUTLIER -70.13 -39.69 75.28 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.669 0.747 . . . . 0.0 111.854 172.456 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.448 ' HB ' HG13 ' C' ' 49' ' ' ILE . 0.9 OUTLIER -144.36 136.14 21.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.178 1.391 . . . . 0.0 107.423 -178.193 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -144.34 148.03 34.23 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.59 165.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -161.0 155.25 23.0 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.239 0.962 . . . . 0.0 111.195 173.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.23 127.84 33.8 Favored 'General case' 0 C--O 1.254 1.329 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.32 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.19 147.75 6.74 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.057 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.83 25.13 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 108.299 -1.92 . . . . 0.0 108.299 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -179.19 3.77 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' MET . . . . . 0.732 ' HG2' ' HB2' ' C' ' 106' ' ' PHE . 0.0 OUTLIER -137.17 161.03 37.27 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 174.662 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' SER . . . . . 0.577 ' N ' ' SD ' ' C' ' 31' ' ' MET . 4.7 t -136.64 156.52 48.44 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.039 -1.464 . . . . 0.0 108.773 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.67 116.17 28.77 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 177.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -112.35 115.85 29.41 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 172.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.03 14.52 18.39 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.928 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -111.99 122.45 47.8 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -172.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.04 120.02 25.18 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 174.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 41.7 p -124.08 119.39 26.55 Favored Pre-proline 0 C--O 1.244 0.815 0 C-N-CA 122.558 0.343 . . . . 0.0 110.165 -173.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -59.96 134.85 59.19 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 CA-C-O 122.35 0.896 . . . . 0.0 111.792 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.74 132.15 34.19 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.92 -11.3 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -67.01 144.43 56.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -173.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -68.13 125.57 26.8 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 171.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.18 21.61 Favored Glycine 0 C--N 1.316 -0.563 0 CA-C-O 123.169 1.427 . . . . 0.0 115.359 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 11.9 mt -128.39 124.46 36.37 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 94.5 t -90.93 137.48 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 164.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -151.91 157.75 42.24 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.964 0.888 . . . . 0.0 113.045 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.56 ' HB ' ' HD1' ' C' ' 127' ' ' TYR . 0.7 OUTLIER -118.79 131.1 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 113.575 -1.648 . . . . 0.0 108.33 174.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.64 44.81 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.332 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . 0.518 ' CB ' ' OH ' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -100.14 122.06 42.39 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 170.277 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 62.9 p -84.03 171.16 13.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.33 177.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.62 -10.39 59.7 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.659 -0.816 . . . . 0.0 113.187 -170.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -82.67 7.39 14.94 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.264 -0.174 . . . . 0.0 110.974 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.8 -1.26 3.12 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.474 1.509 . . . . 0.0 114.809 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.89 149.97 39.33 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.204 -0.999 . . . . 0.0 113.087 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 mm -102.27 129.18 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.077 -177.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 9.9 m80 -117.7 125.39 50.59 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -176.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -98.87 118.97 36.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 171.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . 0.625 ' C ' ' CD1' ' C' ' 61' ' ' TRP . 2.7 m -127.65 156.89 41.61 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -171.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . 0.625 ' CD1' ' C ' ' C' ' 60' ' ' CYS . 0.0 OUTLIER -130.57 128.31 40.82 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 113.533 -1.667 . . . . 0.0 108.646 169.298 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -120.65 134.29 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.775 -176.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -74.22 115.39 13.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -64.08 -32.42 73.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 72.2 p -72.43 -46.23 55.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -175.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 28.6 t -91.44 -20.46 21.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.598 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.74 60.9 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.713 -0.493 . . . . 0.0 113.723 -171.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.47 129.99 39.63 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.656 1.228 . . . . 0.0 113.136 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -94.49 -28.9 15.21 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.924 -171.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . 0.592 ' HB3' ' CD2' ' C' ' 61' ' ' TRP . 7.4 t70 -121.99 135.55 54.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.837 0.827 . . . . 0.0 109.407 177.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -154.98 103.34 2.39 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 mt -118.05 123.23 45.14 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.295 -174.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 21.4 pt -75.87 124.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.391 1.091 . . . . 0.0 111.661 168.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . 0.436 ' HB ' HD23 ' C' ' 128' ' ' LEU . 0.5 OUTLIER -122.97 130.35 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.615 -174.399 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -101.27 158.97 30.78 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.493 1.121 . . . . 0.0 110.89 173.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.22 133.91 58.01 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.962 2.441 . . . . 0.0 111.287 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.41 6.84 5.91 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -175.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.36 -33.64 71.69 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.061 0.846 . . . . 0.0 109.633 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -154.91 168.16 27.87 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 118.489 -1.284 . . . . 0.0 113.699 -173.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . 0.431 ' HB2' ' HD2' ' C' ' 99' ' ' LYS . 9.0 tp10 -133.45 139.36 46.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.961 -178.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . 0.438 ' HB3' ' CE1' ' C' ' 94' ' ' TYR . 1.4 m-85 -106.77 124.23 49.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 156.44 42.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -67.78 142.81 56.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.416 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . 0.466 ' HB ' HG11 ' C' ' 93' ' ' VAL . 3.5 t -94.17 98.25 2.77 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 171.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -60.97 -31.92 91.89 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 N-CA-C 117.809 2.196 . . . . 0.0 117.809 -167.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -91.14 8.61 34.77 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 117.875 -1.53 . . . . 0.0 112.195 -164.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . 0.539 ' HB3' HG12 ' C' ' 93' ' ' VAL . 10.7 t -85.1 119.63 72.68 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.83 -19.95 33.67 Favored 'Trans proline' 0 C--N 1.346 0.395 0 O-C-N 123.049 1.026 . . . . 0.0 114.462 -173.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -65.51 -34.61 78.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.364 0.529 . . . . 0.0 110.073 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.04 64.88 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.563 -172.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -121.06 17.16 11.66 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . 0.539 HG12 ' HB3' ' C' ' 88' ' ' CYS . 2.5 p -97.08 133.48 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.224 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 173.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . 0.772 ' OH ' ' HB2' ' C' ' 96' ' ' LEU . 0.0 OUTLIER -125.09 151.74 45.28 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.56 1.788 . . . . 0.0 110.412 178.638 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . 0.648 ' N ' ' CD1' ' C' ' 94' ' ' TYR . 0.8 OUTLIER -126.95 135.28 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.225 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . 0.772 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 6.3 tt -95.34 108.22 20.38 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 169.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . 0.622 ' O ' ' HE3' ' C' ' 99' ' ' LYS . 7.7 mttt -109.3 125.19 52.05 Favored 'General case' 0 CA--C 1.484 -1.587 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -84.77 115.61 22.8 Favored 'General case' 0 C--O 1.241 0.646 0 O-C-N 124.011 0.819 . . . . 0.0 109.283 176.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . 0.622 ' HE3' ' O ' ' C' ' 97' ' ' LYS . 1.6 mmpt? -63.41 -25.13 68.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.395 -169.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.26 115.11 28.79 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.96 172.37 27.64 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -172.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 25.5 t -91.46 9.2 32.86 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.067 -0.667 . . . . 0.0 110.563 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -70.68 129.21 38.54 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.868 -1.533 . . . . 0.0 110.656 -165.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 141.7 46.09 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.929 175.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.46 126.22 45.55 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 171.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . 0.732 ' HB2' ' HG2' ' C' ' 31' ' ' MET . 0.9 OUTLIER -100.89 143.69 30.74 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.76 1.287 . . . . 0.0 110.339 -177.55 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . 0.648 ' CD1' ' CE2' ' C' ' 94' ' ' TYR . 4.2 m-85 -137.09 156.72 48.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.307 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -131.47 126.53 35.27 Favored 'General case' 0 N--CA 1.419 -1.995 0 C-N-CA 119.586 -0.846 . . . . 0.0 110.4 175.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 18.2 mmt -62.66 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.205 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -118.92 3.98 11.49 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.64 -1.163 . . . . 0.0 110.315 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.24 135.91 93.79 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.118 1.437 . . . . 0.0 108.71 172.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.34 -41.36 42.19 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.58 -1.147 . . . . 0.0 112.33 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.12 146.93 24.25 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.459 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.3 m -83.48 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.125 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.62 -33.81 56.33 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -169.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.2 5.93 37.98 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -174.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -57.0 -48.77 77.67 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.225 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.78 -32.29 70.69 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.313 -0.955 . . . . 0.0 110.56 -173.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.23 -44.03 80.51 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -55.62 -45.83 77.46 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.025 -1.047 . . . . 0.0 112.322 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . 0.807 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 1.2 m -60.63 -43.07 97.94 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.689 0.756 . . . . 0.0 110.326 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.48 98.77 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.129 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -64.22 -42.38 96.6 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . 0.807 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 6.1 m -52.27 -51.9 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.457 175.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.33 -39.49 87.24 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.29 -46.1 81.77 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.373 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . 0.56 ' HD1' ' HB ' ' C' ' 49' ' ' ILE . 11.4 t80 -79.04 -24.47 43.58 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.421 -0.912 . . . . 0.0 112.35 -174.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' C' ' 128' ' ' LEU . 0.0 OUTLIER -78.97 -36.09 41.99 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.317 174.462 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.8 -11.09 14.42 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -168.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -141.17 71.87 27.4 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 169.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.05 168.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.635 1.557 . . . . 0.0 111.584 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo . . . . . 0 C--N 1.29 -2.534 0 C-N-CA 122.566 2.177 . . . . 0.0 111.625 179.644 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 CA--C 1.549 0.92 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -91.05 138.16 31.81 Favored 'General case' 0 C--O 1.264 1.829 0 O-C-N 126.923 2.64 . . . . 0.0 108.933 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.19 163.08 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 173.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.95 140.25 49.43 Favored 'General case' 0 N--CA 1.515 2.779 1 O-C-N 130.671 4.982 . . . . 0.0 108.726 179.623 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.9 t -118.1 114.21 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.594 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 127.59 41.34 Favored 'General case' 0 N--CA 1.507 2.388 1 O-C-N 129.358 4.161 . . . . 0.0 107.925 -178.121 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -99.61 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.85 -1.072 . . . . 0.0 109.402 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mt -73.41 -7.04 50.04 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.084 0.865 . . . . 0.0 112.638 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.53 15.19 29.67 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.675 -2.41 . . . . 0.0 112.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.77 80.23 Favored Glycine 0 C--N 1.298 -1.562 0 O-C-N 120.262 -1.524 . . . . 0.0 116.098 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.55 138.06 34.69 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 174.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -119.95 131.64 55.25 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.655 2.472 . . . . 0.0 105.964 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.55 141.98 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 127.546 3.029 . . . . 0.0 108.912 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 t -101.49 139.8 36.65 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 117.114 -1.835 . . . . 0.0 108.118 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.51 154.01 44.37 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 115.392 -2.242 . . . . 0.0 108.261 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -111.88 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.952 1 O-C-N 129.286 4.116 . . . . 0.0 103.687 173.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.94 170.61 15.98 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 O-C-N 127.614 3.071 . . . . 0.0 111.267 -177.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 8.1 mm-40 -119.91 144.51 37.57 Favored Pre-proline 0 C--N 1.315 -0.93 0 CA-C-N 112.4 -2.182 . . . . 0.0 106.371 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 68.2 Cg_exo -54.98 -24.37 39.3 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.6 2.2 . . . . 0.0 111.968 177.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -8.18 59.19 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.931 -177.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.0 148.35 47.72 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 117.404 -1.718 . . . . 0.0 109.851 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.66 160.47 21.34 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 175.752 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.409 HG12 ' HB3' ' A' ' 50' ' ' LEU . 1.8 mt -61.42 -37.05 76.84 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 O-C-N 127.158 2.786 . . . . 0.0 110.224 175.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -40.15 78.49 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.273 -0.892 . . . . 0.0 110.729 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.34 -41.9 80.07 Favored 'General case' 0 C--O 1.262 1.724 0 O-C-N 121.955 -0.466 . . . . 0.0 110.964 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -46.4 88.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 124.445 1.091 . . . . 0.0 109.234 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -60.9 -37.87 83.73 Favored 'General case' 0 C--O 1.258 1.503 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.711 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.02 86.93 Favored 'General case' 0 C--O 1.278 2.555 0 CA-C-N 118.14 0.427 . . . . 0.0 111.107 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -64.22 -37.37 87.21 Favored 'General case' 0 C--O 1.254 1.321 0 O-C-N 120.391 -1.443 . . . . 0.0 110.738 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.9 mt -70.07 -39.54 77.33 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -48.74 78.65 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 125.524 2.583 . . . . 0.0 109.13 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -41.79 65.6 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 113.461 -1.699 . . . . 0.0 111.881 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 22.6 tttm -93.65 -24.14 17.99 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -175.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -123.43 -6.47 8.17 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.072 2.669 . . . . 0.0 114.258 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.61 90.01 Favored Glycine 0 CA--C 1.478 -2.264 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.7 mm -79.78 124.74 83.28 Favored Pre-proline 0 C--O 1.244 0.768 0 C-N-CA 118.839 -1.144 . . . . 0.0 110.93 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -56.96 136.8 78.78 Favored 'Trans proline' 0 C--O 1.259 1.528 0 C-N-CA 123.208 2.605 . . . . 0.0 110.846 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.09 -31.94 91.82 Favored 'Trans proline' 0 C--O 1.262 1.709 0 O-C-N 122.975 0.987 . . . . 0.0 113.674 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.39 -15.41 63.54 Favored 'General case' 0 C--O 1.263 1.784 0 O-C-N 119.938 -1.726 . . . . 0.0 112.263 -177.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -96.01 -10.23 29.06 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 120.544 -1.348 . . . . 0.0 112.064 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -84.85 129.61 34.79 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 124.39 2.043 . . . . 0.0 115.745 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.08 116.08 24.34 Favored 'General case' 0 C--O 1.299 3.663 0 N-CA-C 104.998 -2.223 . . . . 0.0 104.998 171.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.57 130.18 50.93 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 119.436 1.016 . . . . 0.0 109.883 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.485 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -122.02 131.87 72.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.125 1.516 . . . . 0.0 111.877 -177.559 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -144.38 129.55 18.67 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 46.05 19.82 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 112.207 -2.269 . . . . 0.0 110.746 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.72 60.99 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.614 3.007 . . . . 0.0 117.468 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.12 142.8 46.15 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 177.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.82 130.3 34.59 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 103.795 -2.668 . . . . 0.0 103.795 174.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HB3' HG12 ' A' ' 23' ' ' ILE . 3.8 mt -79.53 138.09 37.39 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.213 -175.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -101.74 140.05 36.56 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 125.16 1.537 . . . . 0.0 109.907 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -47.92 -42.52 27.41 Favored 'General case' 0 C--O 1.263 1.802 0 N-CA-C 120.762 3.616 . . . . 0.0 120.762 -175.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.65 -8.99 85.3 Favored Glycine 0 CA--C 1.491 -1.44 0 N-CA-C 116.183 1.233 . . . . 0.0 116.183 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -85.37 165.42 17.25 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.751 -2.029 . . . . 0.0 108.007 176.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 29.2 p -104.54 164.91 11.42 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 177.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -36.09 79.67 Favored 'General case' 0 C--O 1.202 -1.435 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -29.55 70.68 Favored 'General case' 0 C--O 1.267 1.992 0 C-N-CA 117.366 -1.734 . . . . 0.0 112.197 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -55.52 -39.56 70.67 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 122.416 1.103 . . . . 0.0 110.698 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -90.74 4.55 51.27 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 117.712 -1.137 . . . . 0.0 113.011 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 58.11 45.25 17.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 121.596 1.998 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.9 mt -88.79 116.64 30.76 Favored 'Isoleucine or valine' 0 C--O 1.266 1.935 0 CA-C-O 115.185 -2.341 . . . . 0.0 106.144 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -103.61 169.66 8.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 126.148 2.155 . . . . 0.0 109.381 -176.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.93 27.66 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.238 1.494 . . . . 0.0 109.014 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.09 19.06 10.51 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 117.963 2.579 . . . . 0.0 117.963 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m -71.13 159.6 34.39 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 174.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.14 126.75 52.33 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 118.128 -0.939 . . . . 0.0 108.836 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -103.2 154.62 19.14 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.821 -2.514 . . . . 0.0 105.62 175.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -105.66 135.73 46.54 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 127.385 2.928 . . . . 0.0 105.833 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.86 115.74 30.71 Favored 'General case' 0 C--O 1.286 2.992 0 CA-C-O 117.641 -1.171 . . . . 0.0 111.496 176.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.8 t -108.08 139.94 28.39 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.07 138.85 33.1 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.309 0.576 . . . . 0.0 109.824 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? . . . . . 0 C--N 1.279 -2.494 0 CA-C-O 113.134 -3.317 . . . . 0.0 105.625 178.552 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -90.9 138.42 31.61 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 127.102 2.751 . . . . 0.0 108.828 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -131.09 163.09 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 CA-C-O 115.787 -2.054 . . . . 0.0 105.92 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -115.94 140.11 49.57 Favored 'General case' 0 N--CA 1.515 2.811 1 O-C-N 130.65 4.969 . . . . 0.0 108.58 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.1 t -117.9 114.11 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 CA-C-O 113.364 -3.207 . . . . 0.0 105.864 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.16 127.61 41.34 Favored 'General case' 0 N--CA 1.503 2.178 1 O-C-N 129.26 4.1 . . . . 0.0 108.13 -178.054 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.57 170.9 8.27 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.267 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -6.99 49.76 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 124.12 0.887 . . . . 0.0 112.895 -178.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -101.2 14.71 31.1 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 115.693 -2.403 . . . . 0.0 111.924 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.51 16.72 79.99 Favored Glycine 0 C--N 1.295 -1.708 0 O-C-N 120.235 -1.541 . . . . 0.0 116.01 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -96.34 137.96 34.65 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.91 132.01 55.4 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 126.439 2.337 . . . . 0.0 106.154 176.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.54 141.79 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 127.764 3.165 . . . . 0.0 109.113 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -101.21 139.85 36.32 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 117.026 -1.869 . . . . 0.0 108.37 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -126.46 154.14 44.11 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 115.554 -2.165 . . . . 0.0 108.354 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -111.86 121.17 44.33 Favored 'General case' 0 N--CA 1.496 1.858 1 O-C-N 129.196 4.06 . . . . 0.0 103.511 174.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.4 m -139.07 170.69 15.74 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 O-C-N 127.815 3.197 . . . . 0.0 111.184 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' B' ' 19' ' ' PRO . 0.2 OUTLIER -120.1 144.64 38.19 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.05 -2.341 . . . . 0.0 106.332 174.639 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 18' ' ' GLU . 76.5 Cg_exo -55.0 -24.75 41.2 Favored 'Trans proline' 0 C--N 1.317 -1.11 0 C-N-CA 122.636 2.224 . . . . 0.0 111.52 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 25.1 t -79.87 -8.07 59.09 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.91 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -71.05 148.52 47.47 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 117.366 -1.734 . . . . 0.0 109.707 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.8 160.58 21.18 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 175.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.45 -36.87 75.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 O-C-N 126.925 2.641 . . . . 0.0 110.462 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.11 -42.83 77.46 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.468 -1.395 . . . . 0.0 111.017 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.61 -44.49 90.41 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 124.224 1.009 . . . . 0.0 111.329 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -58.69 -46.16 90.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 124.831 1.332 . . . . 0.0 108.945 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -60.81 -37.92 83.63 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.856 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.07 86.91 Favored 'General case' 0 C--O 1.278 2.555 0 O-C-N 123.365 0.416 . . . . 0.0 111.302 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -64.01 -37.38 87.21 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 120.485 -1.384 . . . . 0.0 110.843 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.72 -39.77 78.42 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -61.94 -48.77 78.92 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.614 2.626 . . . . 0.0 109.044 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -41.71 66.59 Favored 'General case' 0 C--O 1.257 1.452 0 CA-C-N 113.613 -1.631 . . . . 0.0 111.866 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 21.5 tttt -93.35 -24.43 18.1 Favored 'General case' 0 C--O 1.28 2.684 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -175.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.65 -6.24 8.06 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 122.986 2.63 . . . . 0.0 113.8 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.58 90.06 Favored Glycine 0 CA--C 1.476 -2.391 0 N-CA-C 118.817 2.287 . . . . 0.0 118.817 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.516 HG22 ' HG2' ' B' ' 40' ' ' GLN . 1.3 mp -79.83 125.09 82.88 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 118.674 -1.21 . . . . 0.0 111.016 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.507 ' HD2' ' NE2' ' B' ' 40' ' ' GLN . 82.8 Cg_exo -57.23 137.07 80.06 Favored 'Trans proline' 0 C--O 1.255 1.371 0 C-N-CA 122.959 2.439 . . . . 0.0 110.86 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -57.27 -32.21 93.03 Favored 'Trans proline' 0 C--O 1.262 1.69 0 O-C-N 123.056 1.029 . . . . 0.0 113.343 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -68.29 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 120.002 -1.686 . . . . 0.0 112.244 -177.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.516 ' HG2' HG22 ' B' ' 36' ' ' ILE . 0.7 OUTLIER -95.54 -10.56 29.32 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.571 -1.331 . . . . 0.0 112.305 178.399 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . 0.406 ' CG ' HG23 ' B' ' 36' ' ' ILE . 23.8 mt-30 -84.92 129.69 34.76 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 124.259 1.98 . . . . 0.0 115.763 -177.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -121.17 116.26 24.61 Favored 'General case' 0 C--O 1.298 3.657 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.67 130.25 51.12 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 119.432 1.015 . . . . 0.0 110.077 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mm -122.02 131.53 72.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 O-C-N 125.088 1.493 . . . . 0.0 112.002 -177.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -144.18 129.78 19.1 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 45.91 19.8 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 112.052 -2.34 . . . . 0.0 110.719 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.93 20.19 59.73 Favored Glycine 0 C--N 1.3 -1.456 0 C-N-CA 128.249 2.833 . . . . 0.0 117.315 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -109.87 143.86 39.18 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 115.425 -2.226 . . . . 0.0 110.877 174.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -87.18 130.32 34.59 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 104.045 -2.576 . . . . 0.0 104.045 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.54 138.4 37.48 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 117.602 -1.189 . . . . 0.0 110.11 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -101.89 139.98 36.79 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 125.261 1.6 . . . . 0.0 109.948 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -42.04 29.24 Favored 'General case' 0 C--O 1.263 1.781 0 N-CA-C 120.768 3.618 . . . . 0.0 120.768 -175.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.19 -8.56 85.25 Favored Glycine 0 CA--C 1.492 -1.352 0 N-CA-C 116.019 1.168 . . . . 0.0 116.019 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -85.68 165.24 17.14 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.091 -1.829 . . . . 0.0 107.932 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.2 p -104.27 164.49 11.69 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 176.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.09 -36.4 79.58 Favored 'General case' 0 C--O 1.2 -1.501 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -63.59 -29.81 71.01 Favored 'General case' 0 C--O 1.266 1.962 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.265 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.55 -39.17 70.25 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.633 1.206 . . . . 0.0 110.824 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -91.05 4.5 51.95 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 117.598 -1.192 . . . . 0.0 112.92 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 t30 57.97 45.37 18.22 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 121.673 2.033 . . . . 0.0 111.232 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -88.75 116.26 30.09 Favored 'Isoleucine or valine' 0 C--O 1.27 2.152 0 CA-C-O 115.063 -2.399 . . . . 0.0 106.237 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.39 169.54 8.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 126.106 2.129 . . . . 0.0 109.768 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -54.91 142.95 27.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 123.221 1.486 . . . . 0.0 109.249 -176.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 67.04 19.08 10.56 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.03 159.56 34.52 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.9 m -118.97 126.6 52.13 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 118.229 -0.891 . . . . 0.0 108.817 175.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -103.2 154.55 19.21 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 114.69 -2.576 . . . . 0.0 105.721 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -105.66 135.71 46.59 Favored 'General case' 0 C--N 1.283 -2.313 0 O-C-N 127.54 3.025 . . . . 0.0 105.677 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.11 115.85 30.89 Favored 'General case' 0 C--O 1.284 2.887 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.428 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.12 140.0 28.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 103.404 -2.813 . . . . 0.0 103.404 175.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.493 ' C ' ' CD2' ' B' ' 71' ' ' LEU . 3.3 tt -96.15 -83.61 0.37 Allowed 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.132 0.492 . . . . 0.0 109.743 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.489 ' N ' HD22 ' B' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.542 0 CA-C-O 113.473 -3.156 . . . . 0.0 105.43 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.601 0.715 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -89.02 137.86 31.93 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.591 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mt -70.18 -39.6 75.15 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.646 0.736 . . . . 0.0 111.833 172.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 t -144.34 136.07 21.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.246 1.418 . . . . 0.0 107.483 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.36 148.0 34.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.527 165.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -161.01 155.2 22.89 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.296 0.997 . . . . 0.0 111.213 173.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -72.21 127.79 33.66 Favored 'General case' 0 C--O 1.254 1.329 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.365 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.15 147.66 6.77 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.126 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.97 164.82 25.16 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 -179.16 3.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' MET . . . . . 0.718 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.1 mpt? -137.15 161.08 37.13 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -136.68 156.58 48.35 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 118.045 -1.462 . . . . 0.0 108.773 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.24 -116.0 8.56 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.06 14.57 18.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.394 -0.403 . . . . 0.0 109.914 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 54.5 m -112.05 122.53 48.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 12.9 t -76.13 120.06 25.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.13 119.37 26.49 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.147 -173.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . 0.718 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 31.8 Cg_exo -59.92 134.79 58.95 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 117.937 -0.909 . . . . 0.0 111.907 173.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -85.7 132.2 34.19 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 172.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -11.33 59.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -172.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -67.0 144.44 56.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -173.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 125.58 26.83 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 171.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . 0.436 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.34 171.24 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.205 1.447 . . . . 0.0 115.321 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.43 124.4 36.14 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 175.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 t -91.04 137.56 21.48 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.095 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 164.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -151.88 157.84 42.4 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 122.025 0.917 . . . . 0.0 113.009 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 16.2 mt -118.87 131.01 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.396 174.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.97 137.6 44.91 Favored 'General case' 0 CA--C 1.495 -1.137 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -178.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -100.18 122.04 42.38 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 170.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 8.7 p -84.05 171.11 13.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.235 0.54 . . . . 0.0 111.314 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -71.46 -10.54 59.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -170.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -82.68 7.41 14.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.43 0.157 . . . . 0.0 110.99 171.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p 73.83 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.483 1.513 . . . . 0.0 114.684 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -74.89 149.9 39.35 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 119.216 -0.994 . . . . 0.0 113.107 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 5.8 mm -102.2 129.08 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.122 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.59 125.3 50.54 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -176.515 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -98.8 118.95 36.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 171.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 92.9 m -127.59 156.84 41.62 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 113.577 0.955 . . . . 0.0 113.577 -171.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.53 128.32 40.9 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.668 169.241 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.66 134.34 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.745 -176.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -74.23 115.27 13.54 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -63.96 -32.46 74.0 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -176.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -46.26 55.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -175.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.37 -20.52 21.74 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.536 -176.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.57 2.65 60.71 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.721 -0.489 . . . . 0.0 113.74 -171.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -72.44 130.0 39.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.734 1.267 . . . . 0.0 113.195 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 99.4 t -84.17 109.11 17.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -94.45 -28.91 15.23 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.736 -0.786 . . . . 0.0 111.01 -171.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.02 135.53 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.877 0.846 . . . . 0.0 109.386 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.96 103.38 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.11 123.26 45.15 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.282 -174.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . 0.468 HD11 ' N ' ' C' ' 75' ' ' ILE . 1.3 tp -75.83 124.29 33.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.441 1.115 . . . . 0.0 111.694 168.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . 0.468 ' N ' HD11 ' C' ' 74' ' ' ILE . 1.0 OUTLIER -122.93 130.33 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.365 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.641 -174.409 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.29 158.99 30.73 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.441 1.088 . . . . 0.0 110.89 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.22 133.85 57.69 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.91 2.407 . . . . 0.0 111.334 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.43 6.91 5.94 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.45 -33.61 71.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.028 0.831 . . . . 0.0 109.563 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 23.3 p -154.88 168.16 27.85 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.54 -1.264 . . . . 0.0 113.699 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -133.49 139.29 46.58 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.954 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -106.67 124.21 49.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.6 156.39 42.34 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -177.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -67.67 142.87 56.23 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.416 177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 77.0 t -94.37 98.37 2.94 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 171.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -61.04 -31.88 91.47 Favored 'Trans proline' 0 N--CA 1.476 0.49 0 N-CA-C 117.853 2.213 . . . . 0.0 117.853 -167.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -91.12 8.6 34.8 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.933 -1.507 . . . . 0.0 112.203 -164.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 24.2 m -85.07 119.62 72.7 Favored Pre-proline 0 CA--C 1.516 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.94 -19.85 33.95 Favored 'Trans proline' 0 C--N 1.347 0.462 0 O-C-N 123.01 1.005 . . . . 0.0 114.451 -173.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 85.7 p -65.53 -34.62 78.68 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.394 0.543 . . . . 0.0 110.07 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.0 64.83 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.563 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -120.98 17.08 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -96.92 133.42 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 173.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -125.03 151.8 45.11 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 125.56 1.788 . . . . 0.0 110.381 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.08 135.4 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -95.44 108.1 20.29 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 169.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.2 125.19 51.96 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -171.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.81 115.68 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.182 0.926 . . . . 0.0 109.205 176.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -25.21 68.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.371 -169.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.23 115.17 28.91 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.86 172.46 27.78 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -172.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.3 p -91.37 8.94 33.73 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.99 -0.712 . . . . 0.0 110.55 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -70.66 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.01 141.83 46.29 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.946 175.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.62 126.2 45.38 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 171.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . 0.427 ' CB ' ' SD ' ' C' ' 31' ' ' MET . 75.4 m-85 -100.92 143.74 30.71 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 124.698 1.249 . . . . 0.0 110.301 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -137.12 156.69 48.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.203 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.4 126.58 35.52 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.41 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.58 137.72 58.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.259 -174.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -118.86 3.99 11.53 Favored 'General case' 0 N--CA 1.429 -1.519 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.289 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -61.22 135.88 93.74 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.128 1.442 . . . . 0.0 108.655 172.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -61.28 -41.33 42.87 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.604 -1.13 . . . . 0.0 112.466 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -96.18 146.96 24.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.475 173.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.0 t -83.47 -9.28 59.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.131 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.53 -33.82 55.92 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -103.28 5.99 37.78 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -174.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -56.96 -48.78 77.53 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 118.955 -1.098 . . . . 0.0 110.327 -177.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -69.76 -32.25 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.43 -0.908 . . . . 0.0 110.576 -173.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -44.1 79.99 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.923 0.392 . . . . 0.0 110.885 175.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -55.49 -45.93 76.98 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.021 -1.05 . . . . 0.0 112.37 173.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.56 -43.1 97.65 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.63 0.729 . . . . 0.0 110.293 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -62.01 -43.37 98.98 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.101 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -42.28 96.49 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 40.8 t -52.27 -51.94 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.448 175.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.33 -39.5 87.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.21 -46.1 82.05 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.51 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -78.95 -24.4 43.94 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 119.495 -0.882 . . . . 0.0 112.44 -174.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 7.1 mp -79.09 -36.17 41.2 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 119.782 -0.767 . . . . 0.0 112.245 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -110.71 -11.11 14.44 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -168.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -141.17 71.95 27.34 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 169.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -81.31 170.43 14.78 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 121.594 1.53 . . . . 0.0 111.624 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo . . . . . 0 C--N 1.29 -2.524 0 C-N-CA 122.431 2.087 . . . . 0.0 111.636 179.866 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtp . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 106.868 -1.531 . . . . 0.0 106.868 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -91.21 138.22 31.76 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 126.875 2.609 . . . . 0.0 108.767 178.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.24 163.01 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.398 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.91 140.26 49.42 Favored 'General case' 0 N--CA 1.514 2.743 1 O-C-N 130.605 4.941 . . . . 0.0 108.81 179.602 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.11 114.17 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-O 113.399 -3.191 . . . . 0.0 105.601 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.18 127.57 41.33 Favored 'General case' 0 N--CA 1.507 2.379 1 O-C-N 129.371 4.169 . . . . 0.0 107.922 -178.123 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.59 170.82 8.33 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.358 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 mt -73.37 -7.01 49.86 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.057 0.848 . . . . 0.0 112.708 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.8 p -101.53 15.12 29.87 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 115.673 -2.411 . . . . 0.0 112.048 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.25 16.72 80.26 Favored Glycine 0 C--N 1.298 -1.567 0 O-C-N 120.222 -1.548 . . . . 0.0 116.146 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.5 138.1 34.59 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 175.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.9 131.72 55.32 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 126.605 2.441 . . . . 0.0 105.895 176.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.59 141.91 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 127.666 3.104 . . . . 0.0 108.851 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 t -101.45 139.65 36.82 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.144 -1.822 . . . . 0.0 108.184 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.34 153.99 44.13 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 115.329 -2.272 . . . . 0.0 108.394 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.82 121.13 44.22 Favored 'General case' 0 N--CA 1.498 1.974 1 O-C-N 129.252 4.095 . . . . 0.0 103.666 173.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.06 170.55 15.94 Favored 'Isoleucine or valine' 0 C--O 1.255 1.379 0 O-C-N 127.568 3.042 . . . . 0.0 111.203 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 8.4 mm-40 -119.92 144.49 37.54 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 112.382 -2.19 . . . . 0.0 106.355 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 68.4 Cg_exo -54.96 -24.31 38.85 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 122.476 2.117 . . . . 0.0 111.973 177.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 p -80.04 -8.09 59.19 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 117.949 -1.025 . . . . 0.0 110.862 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.08 148.43 47.5 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 117.393 -1.723 . . . . 0.0 109.851 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.76 160.58 21.22 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mm -61.6 -36.95 76.59 Favored 'Isoleucine or valine' 0 C--O 1.246 0.897 0 O-C-N 127.265 2.853 . . . . 0.0 110.244 175.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.56 -40.18 78.34 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.297 -0.877 . . . . 0.0 110.783 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.33 -41.92 80.07 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 121.847 -0.533 . . . . 0.0 110.939 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.2 -46.44 88.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.377 1.048 . . . . 0.0 109.148 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -60.82 -37.91 83.63 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.726 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.95 86.53 Favored 'General case' 0 C--O 1.277 2.538 0 CA-C-N 118.088 0.404 . . . . 0.0 111.104 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -37.55 87.84 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 120.375 -1.453 . . . . 0.0 110.716 175.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.7 mt -69.94 -39.57 77.67 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -48.76 78.54 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 125.551 2.596 . . . . 0.0 109.112 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -41.75 65.32 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 113.46 -1.7 . . . . 0.0 111.987 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 0.8 OUTLIER -93.65 -24.25 17.96 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.172 2.286 . . . . 0.0 117.172 -175.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -123.42 -6.42 8.18 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 123.082 2.674 . . . . 0.0 114.209 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.06 5.72 89.94 Favored Glycine 0 CA--C 1.478 -2.236 0 N-CA-C 118.87 2.308 . . . . 0.0 118.87 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mt -79.84 124.66 83.21 Favored Pre-proline 0 C--O 1.244 0.77 0 C-N-CA 118.93 -1.108 . . . . 0.0 110.947 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -56.9 136.75 78.38 Favored 'Trans proline' 0 C--O 1.259 1.525 0 C-N-CA 123.369 2.713 . . . . 0.0 110.809 178.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.1 -31.95 91.84 Favored 'Trans proline' 0 C--O 1.263 1.729 0 O-C-N 123.013 1.007 . . . . 0.0 113.686 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.44 -15.33 63.51 Favored 'General case' 0 C--O 1.261 1.698 0 O-C-N 119.828 -1.795 . . . . 0.0 112.288 -177.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -96.08 -10.08 29.26 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 120.566 -1.334 . . . . 0.0 111.987 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -84.99 129.64 34.76 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.429 2.061 . . . . 0.0 115.735 -177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.15 116.06 24.24 Favored 'General case' 0 C--O 1.3 3.744 0 N-CA-C 104.943 -2.243 . . . . 0.0 104.943 172.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -103.51 130.21 50.84 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 119.545 1.066 . . . . 0.0 109.934 -177.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.07 131.85 72.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 O-C-N 125.13 1.519 . . . . 0.0 111.934 -177.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -144.39 129.46 18.57 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.33 46.01 20.28 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.73 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 21.82 60.87 Favored Glycine 0 N--CA 1.431 -1.664 0 C-N-CA 128.729 3.062 . . . . 0.0 117.48 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -115.11 142.73 46.26 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.67 130.3 34.6 Favored 'General case' 0 C--O 1.258 1.504 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.53 138.06 37.38 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 117.728 -1.129 . . . . 0.0 110.201 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -101.69 140.13 36.4 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 125.06 1.475 . . . . 0.0 110.005 -177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -48.05 -42.49 28.64 Favored 'General case' 0 C--O 1.263 1.813 0 N-CA-C 120.779 3.622 . . . . 0.0 120.779 -175.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.84 85.5 Favored Glycine 0 CA--C 1.489 -1.543 0 N-CA-C 116.278 1.271 . . . . 0.0 116.278 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.47 165.27 17.29 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 119.808 -1.995 . . . . 0.0 108.08 176.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 1.0 OUTLIER -104.46 164.84 11.46 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 177.102 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.55 -35.97 79.3 Favored 'General case' 0 C--O 1.202 -1.439 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 177.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.29 70.37 Favored 'General case' 0 C--O 1.268 2.061 0 C-N-CA 117.222 -1.791 . . . . 0.0 112.154 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.62 -39.47 70.84 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 122.504 1.145 . . . . 0.0 110.678 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -90.85 4.68 51.12 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.974 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m120 58.07 45.24 18.1 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.667 2.03 . . . . 0.0 111.168 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.75 116.52 30.54 Favored 'Isoleucine or valine' 0 C--O 1.267 1.98 0 CA-C-O 115.182 -2.342 . . . . 0.0 106.192 175.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.54 169.66 8.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 126.051 2.094 . . . . 0.0 109.354 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.83 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 123.199 1.476 . . . . 0.0 109.148 -176.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.02 19.21 10.57 Favored 'General case' 0 C--O 1.254 1.328 0 N-CA-C 118.045 2.609 . . . . 0.0 118.045 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -71.3 159.53 34.42 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.12 126.69 52.21 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 118.112 -0.947 . . . . 0.0 108.868 175.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.16 154.49 19.25 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 114.813 -2.518 . . . . 0.0 105.657 175.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -105.63 135.65 46.65 Favored 'General case' 0 C--N 1.288 -2.105 0 O-C-N 127.334 2.897 . . . . 0.0 105.84 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.82 115.81 30.83 Favored 'General case' 0 C--O 1.285 2.958 0 CA-C-O 117.579 -1.2 . . . . 0.0 111.445 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.8 p -108.07 139.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.3 mt -96.11 138.93 33.02 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.279 0.562 . . . . 0.0 109.816 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 . . . . . 0 C--N 1.279 -2.49 0 CA-C-O 113.187 -3.292 . . . . 0.0 105.502 178.672 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.99 138.39 31.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 127.167 2.792 . . . . 0.0 108.836 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.05 163.07 37.97 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 CA-C-O 115.854 -2.022 . . . . 0.0 105.836 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -115.98 140.13 49.56 Favored 'General case' 0 N--CA 1.513 2.715 1 O-C-N 130.527 4.892 . . . . 0.0 108.652 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -117.96 114.07 44.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-O 113.483 -3.151 . . . . 0.0 105.736 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . 0.409 ' HG3' ' HA ' ' B' ' 68' ' ' HIS . 0.1 OUTLIER -95.06 127.61 41.25 Favored 'General case' 0 N--CA 1.502 2.151 1 O-C-N 129.18 4.05 . . . . 0.0 108.125 -178.141 . . . . . . . . 4 4 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.54 170.81 8.34 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.772 -1.109 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.47 -6.9 49.35 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.085 0.866 . . . . 0.0 112.789 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.25 14.83 30.73 Favored 'General case' 0 N--CA 1.506 2.354 0 C-N-CA 115.731 -2.388 . . . . 0.0 111.963 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.62 80.18 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.196 -1.565 . . . . 0.0 116.13 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -96.25 137.87 34.68 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.8 p -119.9 131.89 55.37 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 126.344 2.277 . . . . 0.0 106.169 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 tp -109.46 141.83 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.797 3.186 . . . . 0.0 109.099 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 p -101.24 139.91 36.26 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 116.893 -1.923 . . . . 0.0 108.4 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.47 154.0 44.32 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 115.503 -2.189 . . . . 0.0 108.485 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -111.83 121.15 44.27 Favored 'General case' 0 N--CA 1.495 1.814 1 O-C-N 129.122 4.014 . . . . 0.0 103.591 174.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.09 170.56 15.9 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 O-C-N 127.731 3.144 . . . . 0.0 111.256 -177.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.1 144.6 38.1 Favored Pre-proline 0 C--N 1.313 -1.018 0 CA-C-N 112.065 -2.334 . . . . 0.0 106.241 174.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.84 -24.8 40.21 Favored 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 122.635 2.224 . . . . 0.0 111.537 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 43.3 t -79.86 -8.21 59.17 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.102 -0.999 . . . . 0.0 110.91 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.94 148.53 47.61 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.782 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -83.84 160.54 21.15 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 175.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.768 HG12 ' HG ' ' B' ' 50' ' ' LEU . 2.0 mp -61.43 -36.81 75.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 126.888 2.617 . . . . 0.0 110.364 175.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -42.89 77.93 Favored 'General case' 0 C--O 1.251 1.166 0 O-C-N 120.424 -1.423 . . . . 0.0 110.979 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.43 -44.47 91.09 Favored 'General case' 0 C--O 1.251 1.147 0 C-N-CA 124.173 0.989 . . . . 0.0 111.498 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.0 t -58.64 -46.25 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.286 -1.325 . . . . 0.0 108.983 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -60.81 -37.96 83.74 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.882 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.08 87.07 Favored 'General case' 0 C--O 1.278 2.57 0 O-C-N 123.365 0.416 . . . . 0.0 111.354 176.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -64.05 -37.4 87.3 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 120.519 -1.363 . . . . 0.0 110.849 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.2 mt -69.69 -39.71 78.42 Favored 'Isoleucine or valine' 0 C--O 1.253 1.261 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -48.84 78.55 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 125.494 2.569 . . . . 0.0 108.96 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.52 -41.69 66.62 Favored 'General case' 0 C--O 1.256 1.423 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.8 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 4.3 mttp -93.42 -24.38 18.07 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 117.164 2.283 . . . . 0.0 117.164 -175.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.58 -6.32 8.09 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 122.939 2.609 . . . . 0.0 113.81 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.04 5.6 90.03 Favored Glycine 0 CA--C 1.476 -2.4 0 N-CA-C 118.718 2.247 . . . . 0.0 118.718 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mt -79.91 125.05 82.8 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 118.736 -1.185 . . . . 0.0 111.035 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -57.17 137.01 79.86 Favored 'Trans proline' 0 C--O 1.257 1.435 0 C-N-CA 122.941 2.427 . . . . 0.0 110.85 178.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.22 -32.22 92.93 Favored 'Trans proline' 0 C--O 1.261 1.67 0 O-C-N 122.979 0.989 . . . . 0.0 113.315 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -68.33 -15.55 63.61 Favored 'General case' 0 C--O 1.264 1.827 0 O-C-N 120.039 -1.663 . . . . 0.0 112.187 -177.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -95.61 -10.47 29.38 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.471 -1.393 . . . . 0.0 112.169 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -84.92 129.66 34.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 124.232 1.967 . . . . 0.0 115.755 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -121.16 116.07 24.26 Favored 'General case' 0 C--O 1.299 3.676 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 172.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.57 ' HB3' HD13 ' B' ' 50' ' ' LEU . 1.6 tp -103.52 130.28 50.87 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 119.536 1.062 . . . . 0.0 109.989 -177.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -121.98 131.56 72.87 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.131 1.52 . . . . 0.0 112.059 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.847 ' HB2' ' CZ ' ' B' ' 59' ' ' TYR . 0.0 OUTLIER -144.21 129.85 19.14 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.436 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . 0.429 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . . . 48.09 46.0 19.47 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 112.011 -2.359 . . . . 0.0 110.682 177.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.91 20.18 59.66 Favored Glycine 0 C--N 1.299 -1.486 0 C-N-CA 128.233 2.825 . . . . 0.0 117.334 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -109.89 143.86 39.2 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 115.411 -2.233 . . . . 0.0 110.916 174.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.478 ' HB3' ' HB2' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -87.19 130.28 34.62 Favored 'General case' 0 C--N 1.281 -2.394 0 N-CA-C 104.002 -2.592 . . . . 0.0 104.002 173.375 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.768 ' HG ' HG12 ' B' ' 23' ' ' ILE . 0.2 OUTLIER -79.57 138.39 37.46 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.028 -175.782 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -101.89 139.95 36.83 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 125.173 1.545 . . . . 0.0 110.02 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -42.13 28.72 Favored 'General case' 0 C--O 1.263 1.79 0 N-CA-C 120.714 3.598 . . . . 0.0 120.714 -175.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.12 -8.66 85.24 Favored Glycine 0 CA--C 1.492 -1.359 0 N-CA-C 116.035 1.174 . . . . 0.0 116.035 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.445 ' O ' ' CD1' ' B' ' 23' ' ' ILE . 0.0 OUTLIER -85.56 165.31 17.18 Favored 'General case' 0 C--O 1.25 1.083 0 O-C-N 120.186 -1.773 . . . . 0.0 107.985 176.454 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 53.1 p -104.32 164.45 11.73 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 176.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -36.41 79.38 Favored 'General case' 0 C--O 1.2 -1.505 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 177.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.1 p -63.61 -29.76 70.97 Favored 'General case' 0 C--O 1.268 2.07 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.229 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -39.07 70.56 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 122.471 1.129 . . . . 0.0 110.706 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.847 ' CZ ' ' HB2' ' B' ' 45' ' ' PHE . 21.0 t80 -91.08 4.48 52.05 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.914 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 58.04 45.34 18.06 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 121.717 2.053 . . . . 0.0 111.253 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . 0.509 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.0 OUTLIER -88.73 116.26 30.07 Favored 'Isoleucine or valine' 0 C--O 1.271 2.193 0 CA-C-O 115.078 -2.391 . . . . 0.0 106.289 175.848 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.35 169.59 8.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 126.098 2.124 . . . . 0.0 109.704 -176.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -55.05 143.05 28.08 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.23 1.49 . . . . 0.0 109.229 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 67.01 19.07 10.6 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 117.885 2.55 . . . . 0.0 117.885 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.8 t -71.11 159.51 34.57 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -118.97 126.62 52.18 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 118.199 -0.905 . . . . 0.0 108.842 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -103.14 154.52 19.21 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 114.672 -2.585 . . . . 0.0 105.755 175.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.409 ' HA ' ' HG3' ' B' ' 6' ' ' LYS . 3.0 m-70 -105.51 135.71 46.42 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 127.588 3.055 . . . . 0.0 105.79 177.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tt -107.01 115.8 30.82 Favored 'General case' 0 C--O 1.284 2.917 0 CA-C-O 117.705 -1.141 . . . . 0.0 111.425 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.1 t -108.13 139.96 28.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.717 0 N-CA-C 103.42 -2.807 . . . . 0.0 103.42 175.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' B' ' 72' ' ' ARG . 2.9 tt -96.03 -83.5 0.37 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.256 0.551 . . . . 0.0 109.847 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.279 -2.466 0 CA-C-O 113.44 -3.172 . . . . 0.0 105.459 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 121.6 0.714 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -89.08 137.86 31.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.557 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.475 ' HB2' HG21 ' C' ' 49' ' ' ILE . 1.1 mp -70.2 -39.55 75.11 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.669 0.747 . . . . 0.0 111.856 172.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.461 ' HB ' HG23 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.4 136.07 21.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 125.195 1.398 . . . . 0.0 107.433 -178.214 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.35 147.99 34.16 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.572 165.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -160.97 155.24 23.04 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.246 0.966 . . . . 0.0 111.235 173.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -72.24 127.75 33.52 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.365 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.13 147.7 6.79 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-O 122.078 0.942 . . . . 0.0 110.079 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.91 164.89 25.26 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -179.22 3.78 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 3.5 mtt -137.14 161.03 37.25 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.65 156.46 48.52 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.816 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.7 116.14 28.74 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 177.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -112.33 115.81 29.35 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.02 8.58 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -169.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.7 m -114.04 14.57 18.38 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.381 -0.409 . . . . 0.0 109.919 178.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.1 p -111.99 122.49 47.92 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 97.2 t -76.11 120.09 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -124.17 119.38 26.44 Favored Pre-proline 0 C--O 1.245 0.856 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -173.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.92 134.8 59.01 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 117.946 -0.903 . . . . 0.0 111.873 173.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.74 132.21 34.18 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -11.23 59.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -172.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -67.08 144.36 56.15 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 125.56 26.74 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . 0.437 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.33 171.18 21.6 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.19 1.439 . . . . 0.0 115.389 -179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 74.4 mt -128.35 124.43 36.39 Favored 'General case' 0 N--CA 1.423 -1.796 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 175.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 25.9 t -90.98 137.58 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 164.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -151.96 157.74 42.18 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.983 0.897 . . . . 0.0 113.007 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.742 HG23 ' CD1' ' C' ' 127' ' ' TYR . 5.8 tp -118.74 131.04 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 113.591 -1.64 . . . . 0.0 108.36 174.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -134.02 137.61 44.84 Favored 'General case' 0 CA--C 1.492 -1.251 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -100.2 122.13 42.53 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 170.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 36.0 p -84.04 171.12 13.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.295 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.61 -10.4 59.71 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.606 -0.837 . . . . 0.0 113.149 -170.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.69 7.42 14.91 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.028 170.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.82 -1.15 3.15 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.496 1.518 . . . . 0.0 114.704 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mp -102.23 129.07 54.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.122 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.7 m170 -117.58 125.32 50.59 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' C' ' 59' ' ' PHE . 0.0 OUTLIER -98.8 119.04 36.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 171.295 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 56.2 m -127.75 156.84 41.8 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.48 128.21 40.78 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 113.547 -1.66 . . . . 0.0 108.711 169.32 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -120.66 134.43 55.28 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.741 -176.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -74.32 115.34 13.72 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -64.1 -32.28 73.78 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -176.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.59 -46.14 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -175.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -20.45 21.79 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.578 -176.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.67 60.83 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 119.709 -0.495 . . . . 0.0 113.771 -171.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -72.62 130.02 39.62 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.653 1.226 . . . . 0.0 113.122 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.12 109.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -94.42 -28.9 15.25 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.965 -171.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -122.03 135.55 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.864 0.84 . . . . 0.0 109.417 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -155.0 103.34 2.39 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.05 123.28 45.26 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 114.304 -1.316 . . . . 0.0 109.264 -174.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 pp -75.86 124.3 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.432 1.111 . . . . 0.0 111.742 168.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 18.0 mm -122.96 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.602 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -101.27 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.625 0 O-C-N 124.424 1.078 . . . . 0.0 110.902 173.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.28 133.88 58.08 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.319 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.54 6.79 5.89 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -175.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -33.63 71.62 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.975 0.807 . . . . 0.0 109.574 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 14.3 p -154.9 168.22 27.67 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.5 -1.28 . . . . 0.0 113.639 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -133.47 139.33 46.62 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.018 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -106.79 124.2 49.27 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -148.56 156.4 42.38 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -67.64 142.79 56.29 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.444 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 96.9 t -94.23 98.35 2.86 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 171.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -61.0 -31.96 91.85 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 N-CA-C 117.791 2.189 . . . . 0.0 117.791 -167.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -91.1 8.59 34.82 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.207 -164.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 58.4 m -85.09 119.68 72.74 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.93 -19.89 34.05 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.427 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 88.1 p -65.49 -34.66 78.8 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.421 0.555 . . . . 0.0 110.06 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.41 13.09 64.74 Favored Glycine 0 CA--C 1.506 -0.529 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.558 -172.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -121.05 17.2 11.67 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -97.1 133.43 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -125.08 151.87 45.09 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 125.634 1.834 . . . . 0.0 110.375 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 9.7 p -127.03 135.31 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' C' ' 96' ' ' LEU . 0.6 OUTLIER -95.44 108.15 20.34 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.107 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -109.26 125.16 51.99 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -171.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -84.81 115.64 22.84 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.146 0.904 . . . . 0.0 109.17 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . 0.478 ' HB2' ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -63.38 -25.16 68.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.412 -169.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.25 115.19 28.93 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 173.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 102' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 23.4 m -91.39 9.04 33.34 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.034 -0.686 . . . . 0.0 110.525 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -70.76 129.15 38.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 117.943 -1.503 . . . . 0.0 110.596 -164.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.01 141.69 46.25 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.968 175.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 81.6 mt -124.53 126.17 45.41 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 171.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -100.8 143.74 30.59 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 124.794 1.309 . . . . 0.0 110.23 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -137.09 156.7 48.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.519 -1.218 . . . . 0.0 109.281 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -131.46 126.64 35.55 Favored 'General case' 0 N--CA 1.419 -2.008 0 C-N-CA 119.573 -0.851 . . . . 0.0 110.434 174.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.73 137.76 58.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.224 -174.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.83 3.91 11.55 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.225 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.34 135.96 93.97 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.177 1.465 . . . . 0.0 108.637 173.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.25 -41.41 42.49 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.11 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 121.149 0.499 . . . . 0.0 110.49 173.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.0 t -83.38 -9.3 59.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.199 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -53.57 -33.84 56.2 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.16 5.76 37.97 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -174.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -56.85 -48.83 77.17 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.348 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.17 70.45 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 110.559 -173.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.29 -44.06 80.2 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.947 0.404 . . . . 0.0 110.932 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -55.64 -45.81 77.54 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.981 -1.074 . . . . 0.0 112.286 173.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . 0.923 ' O ' HG23 ' C' ' 124' ' ' VAL . 54.0 t -60.63 -43.18 97.82 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.637 0.732 . . . . 0.0 110.264 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -43.47 98.78 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.092 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -64.15 -42.38 96.8 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . 1.04 ' HA ' ' CE1' ' C' ' 127' ' ' TYR . 17.0 m -52.24 -51.97 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.401 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . 0.422 ' N ' HG22 ' C' ' 124' ' ' VAL . 4.5 m-20 -60.3 -39.53 87.3 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -65.27 -46.04 82.08 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.437 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . 1.04 ' CE1' ' HA ' ' C' ' 124' ' ' VAL . 0.5 OUTLIER -79.07 -24.42 43.53 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.423 -0.911 . . . . 0.0 112.3 -174.523 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.549 ' N ' ' CD2' ' C' ' 127' ' ' TYR . 3.8 mt -79.04 -36.1 41.59 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.811 -0.755 . . . . 0.0 112.245 174.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -110.77 -11.17 14.42 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -168.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -141.17 71.93 27.35 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 169.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -46.18 165.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 121.564 1.509 . . . . 0.0 111.609 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 C--N 1.289 -2.558 0 C-N-CA 122.632 2.221 . . . . 0.0 111.559 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 mtm . . . . . 0 CA--C 1.55 0.957 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -91.14 138.23 31.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 126.857 2.598 . . . . 0.0 108.837 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.23 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.41 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 173.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -115.98 140.13 49.57 Favored 'General case' 0 N--CA 1.512 2.649 1 O-C-N 130.565 4.916 . . . . 0.0 108.757 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.99 114.22 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-O 113.396 -3.192 . . . . 0.0 105.633 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.26 127.61 41.45 Favored 'General case' 0 N--CA 1.506 2.344 1 O-C-N 129.351 4.157 . . . . 0.0 107.868 -178.066 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.28 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.4 -7.05 50.05 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 124.121 0.888 . . . . 0.0 112.663 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -101.53 15.11 29.92 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.568 -2.453 . . . . 0.0 112.023 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.72 80.14 Favored Glycine 0 C--N 1.298 -1.572 0 O-C-N 120.204 -1.56 . . . . 0.0 116.08 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 138.15 34.53 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 175.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.92 131.75 55.31 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 126.63 2.456 . . . . 0.0 105.857 176.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 tt -109.7 141.92 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 127.692 3.12 . . . . 0.0 108.822 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.35 139.64 36.74 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.216 -1.793 . . . . 0.0 108.228 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 mp -126.44 154.06 44.19 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 115.388 -2.244 . . . . 0.0 108.34 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -111.83 121.02 43.91 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.29 4.119 . . . . 0.0 103.673 173.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -138.92 170.57 16.07 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 O-C-N 127.528 3.017 . . . . 0.0 111.213 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -119.92 144.41 37.37 Favored Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 112.383 -2.19 . . . . 0.0 106.401 174.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -54.95 -24.38 39.13 Favored 'Trans proline' 0 C--N 1.321 -0.913 0 C-N-CA 122.49 2.126 . . . . 0.0 111.914 177.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m -79.97 -8.19 59.21 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.842 -177.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.96 148.43 47.7 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 117.498 -1.681 . . . . 0.0 109.838 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -83.73 160.52 21.26 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.51 -37.02 76.85 Favored 'Isoleucine or valine' 0 C--O 1.246 0.9 0 O-C-N 127.206 2.816 . . . . 0.0 110.257 175.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -40.08 78.43 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.324 -0.86 . . . . 0.0 110.723 177.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.35 -41.94 79.95 Favored 'General case' 0 C--O 1.261 1.663 0 O-C-N 121.841 -0.537 . . . . 0.0 110.969 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.18 -46.48 88.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.529 1.143 . . . . 0.0 109.192 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -60.82 -37.9 83.57 Favored 'General case' 0 C--O 1.258 1.507 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.746 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.1 87.31 Favored 'General case' 0 C--O 1.278 2.555 0 CA-C-N 118.073 0.397 . . . . 0.0 111.165 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -64.14 -37.56 87.91 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 120.43 -1.419 . . . . 0.0 110.716 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.3 mt -69.91 -39.44 77.58 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -62.2 -48.77 78.57 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 125.547 2.594 . . . . 0.0 109.052 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -41.66 65.62 Favored 'General case' 0 C--O 1.253 1.244 0 CA-C-N 113.404 -1.726 . . . . 0.0 111.988 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 13.0 tptm -93.7 -24.31 17.9 Favored 'General case' 0 C--O 1.281 2.712 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -175.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -123.33 -6.49 8.22 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 123.166 2.712 . . . . 0.0 114.251 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.67 89.94 Favored Glycine 0 CA--C 1.478 -2.227 0 N-CA-C 118.896 2.318 . . . . 0.0 118.896 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -79.82 124.73 83.2 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.886 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -56.99 136.9 79.47 Favored 'Trans proline' 0 C--O 1.257 1.453 0 C-N-CA 123.301 2.667 . . . . 0.0 110.767 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -57.22 -31.95 92.15 Favored 'Trans proline' 0 C--O 1.263 1.755 0 O-C-N 123.067 1.035 . . . . 0.0 113.634 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -68.47 -15.29 63.49 Favored 'General case' 0 C--O 1.264 1.833 0 O-C-N 119.841 -1.787 . . . . 0.0 112.208 -177.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -95.99 -10.33 28.86 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.582 -1.324 . . . . 0.0 112.048 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -84.89 129.65 34.78 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 124.441 2.067 . . . . 0.0 115.75 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.02 116.12 24.45 Favored 'General case' 0 C--O 1.299 3.706 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 171.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -103.52 130.17 50.85 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 119.48 1.036 . . . . 0.0 109.96 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -122.16 131.88 72.21 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 O-C-N 125.239 1.587 . . . . 0.0 111.885 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -144.31 129.56 18.75 Favored 'General case' 0 C--N 1.36 1.047 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 46.02 19.75 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.208 -2.269 . . . . 0.0 110.842 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.69 60.96 Favored Glycine 0 N--CA 1.432 -1.607 0 C-N-CA 128.581 2.991 . . . . 0.0 117.489 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -115.01 142.91 45.99 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.93 130.3 34.58 Favored 'General case' 0 C--O 1.258 1.519 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 174.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.56 138.08 37.37 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 117.703 -1.141 . . . . 0.0 110.18 -175.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -101.66 140.17 36.31 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 125.028 1.455 . . . . 0.0 109.988 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -42.45 28.88 Favored 'General case' 0 C--O 1.263 1.814 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -175.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 -8.9 85.44 Favored Glycine 0 CA--C 1.488 -1.606 0 N-CA-C 116.184 1.234 . . . . 0.0 116.184 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.41 165.36 17.27 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 119.715 -2.05 . . . . 0.0 108.028 176.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 26.6 p -104.57 164.84 11.47 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 177.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.56 -36.08 79.59 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -29.52 70.64 Favored 'General case' 0 C--O 1.269 2.106 0 C-N-CA 117.278 -1.769 . . . . 0.0 112.175 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -39.69 70.57 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 122.364 1.078 . . . . 0.0 110.657 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -90.81 4.8 50.7 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 117.638 -1.172 . . . . 0.0 112.966 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 58.14 45.15 18.02 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.671 2.032 . . . . 0.0 111.174 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.4 mt -88.74 116.53 30.55 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 115.156 -2.354 . . . . 0.0 106.185 175.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -103.58 169.67 8.39 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.106 2.129 . . . . 0.0 109.315 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 142.94 27.71 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 123.186 1.47 . . . . 0.0 109.149 -176.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 67.13 19.11 10.45 Favored 'General case' 0 C--O 1.254 1.316 0 N-CA-C 117.98 2.585 . . . . 0.0 117.98 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -71.14 159.55 34.47 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.16 126.74 52.3 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 118.108 -0.949 . . . . 0.0 108.859 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.4 mt -103.11 154.59 19.13 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 114.828 -2.511 . . . . 0.0 105.647 175.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -105.63 135.59 46.76 Favored 'General case' 0 C--N 1.287 -2.111 0 O-C-N 127.352 2.907 . . . . 0.0 105.838 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tt -106.83 115.8 30.82 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.457 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.8 t -108.07 139.84 28.75 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 N-CA-C 103.574 -2.751 . . . . 0.0 103.574 175.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.03 138.92 32.96 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.288 0.566 . . . . 0.0 109.828 178.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 . . . . . 0 C--N 1.279 -2.476 0 CA-C-O 113.183 -3.294 . . . . 0.0 105.559 178.562 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.93 138.53 31.53 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 127.148 2.78 . . . . 0.0 108.788 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.21 163.14 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.25 0 CA-C-O 115.739 -2.076 . . . . 0.0 105.941 173.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -116.01 140.11 49.59 Favored 'General case' 0 N--CA 1.514 2.737 1 O-C-N 130.603 4.939 . . . . 0.0 108.65 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 33.5 t -117.87 114.12 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 113.443 -3.17 . . . . 0.0 105.789 175.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.11 127.57 41.27 Favored 'General case' 0 N--CA 1.503 2.195 1 O-C-N 129.184 4.053 . . . . 0.0 108.185 -178.145 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.3 p -99.57 170.74 8.38 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.749 -1.119 . . . . 0.0 109.328 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . 0.431 ' H ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.27 -7.03 49.76 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 124.171 0.919 . . . . 0.0 112.824 -178.28 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -101.22 14.82 30.75 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 115.661 -2.416 . . . . 0.0 111.944 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.69 80.05 Favored Glycine 0 C--N 1.296 -1.64 0 O-C-N 120.102 -1.624 . . . . 0.0 116.044 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.26 137.92 34.63 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 174.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 24.5 p -119.9 131.92 55.38 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 126.365 2.29 . . . . 0.0 106.122 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mm -109.53 141.81 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 127.795 3.184 . . . . 0.0 109.063 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -101.1 139.87 36.19 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 117.031 -1.867 . . . . 0.0 108.376 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 mp -126.57 154.0 44.48 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 115.405 -2.236 . . . . 0.0 108.421 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -111.77 121.25 44.57 Favored 'General case' 0 N--CA 1.498 1.933 1 O-C-N 129.416 4.197 . . . . 0.0 103.513 174.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.15 170.54 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.213 0 O-C-N 127.798 3.186 . . . . 0.0 111.198 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.03 144.64 38.06 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 112.032 -2.349 . . . . 0.0 106.251 174.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.98 -24.69 40.73 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 C-N-CA 122.687 2.258 . . . . 0.0 111.52 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -8.26 59.21 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.857 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.93 148.47 47.69 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 117.28 -1.768 . . . . 0.0 109.81 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.78 160.55 21.2 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 1.361 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.48 -36.79 75.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 127.048 2.718 . . . . 0.0 110.346 175.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.764 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.15 -42.94 77.77 Favored 'General case' 0 C--O 1.252 1.207 0 O-C-N 120.393 -1.442 . . . . 0.0 110.974 176.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -64.42 -44.58 90.75 Favored 'General case' 0 C--O 1.251 1.154 0 C-N-CA 124.208 1.003 . . . . 0.0 111.395 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.55 -46.31 90.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.882 1.363 . . . . 0.0 109.01 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -60.71 -37.94 83.37 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.907 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.27 -37.96 86.68 Favored 'General case' 0 C--O 1.278 2.558 0 O-C-N 123.496 0.498 . . . . 0.0 111.451 176.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -64.15 -37.33 87.08 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 120.481 -1.387 . . . . 0.0 110.78 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.77 -39.74 78.29 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -61.92 -48.88 78.45 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 125.504 2.573 . . . . 0.0 108.995 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.33 -41.8 66.09 Favored 'General case' 0 C--O 1.256 1.414 0 CA-C-N 113.69 -1.595 . . . . 0.0 111.869 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -93.36 -24.45 18.09 Favored 'General case' 0 C--O 1.28 2.662 0 N-CA-C 117.196 2.295 . . . . 0.0 117.196 -175.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.64 -6.28 8.06 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 122.941 2.61 . . . . 0.0 113.83 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.56 90.06 Favored Glycine 0 CA--C 1.476 -2.366 0 N-CA-C 118.803 2.281 . . . . 0.0 118.803 176.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.434 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 58.3 mt -80.04 125.05 82.58 Favored Pre-proline 0 C--O 1.241 0.65 0 C-N-CA 118.627 -1.229 . . . . 0.0 111.051 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.481 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 24.8 Cg_endo -57.0 136.99 80.03 Favored 'Trans proline' 0 C--O 1.256 1.386 0 C-N-CA 122.971 2.447 . . . . 0.0 110.853 178.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -57.24 -32.22 92.99 Favored 'Trans proline' 0 C--O 1.261 1.654 0 O-C-N 123.032 1.017 . . . . 0.0 113.435 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.19 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 119.97 -1.706 . . . . 0.0 112.215 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.481 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 0.9 OUTLIER -95.58 -10.55 29.26 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.559 -1.338 . . . . 0.0 112.192 178.484 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -84.85 129.55 34.79 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 124.193 1.949 . . . . 0.0 115.775 -177.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.15 116.15 24.41 Favored 'General case' 0 C--O 1.299 3.668 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 172.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.6 130.34 51.01 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.476 1.034 . . . . 0.0 109.935 -177.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.532 HG21 ' O ' ' B' ' 68' ' ' HIS . 0.1 OUTLIER -122.07 131.58 72.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 O-C-N 125.181 1.55 . . . . 0.0 112.018 -177.574 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -144.27 129.85 19.07 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.01 19.62 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 111.9 -2.409 . . . . 0.0 110.639 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 20.2 59.55 Favored Glycine 0 C--N 1.298 -1.535 0 C-N-CA 128.363 2.887 . . . . 0.0 117.319 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -109.83 143.84 39.12 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 115.344 -2.265 . . . . 0.0 110.977 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.57 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -87.24 130.37 34.6 Favored 'General case' 0 C--N 1.28 -2.423 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 173.393 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.62 138.41 37.41 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 117.57 -1.205 . . . . 0.0 110.024 -175.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 1.361 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.7 OUTLIER -101.91 140.09 36.66 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 125.252 1.595 . . . . 0.0 109.952 -177.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.913 ' HA ' HG12 ' B' ' 23' ' ' ILE . 1.2 p30 -48.39 -41.97 30.5 Favored 'General case' 0 C--O 1.263 1.771 0 N-CA-C 120.787 3.625 . . . . 0.0 120.787 -175.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.18 -8.65 85.15 Favored Glycine 0 N--CA 1.476 1.342 0 N-CA-C 115.942 1.137 . . . . 0.0 115.942 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.472 ' O ' HG23 ' B' ' 23' ' ' ILE . 16.1 mmt180 -85.57 165.32 17.16 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.116 -1.814 . . . . 0.0 107.969 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 30.2 p -104.33 164.48 11.7 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 177.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.02 -36.46 79.59 Favored 'General case' 0 C--O 1.2 -1.518 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.6 t -63.57 -29.79 71.0 Favored 'General case' 0 C--O 1.267 2.011 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.229 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.78 -38.99 70.63 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 122.44 1.114 . . . . 0.0 110.73 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -91.07 4.53 51.9 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.632 -1.175 . . . . 0.0 112.903 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.87 45.42 18.45 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 121.68 2.036 . . . . 0.0 111.257 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.3 mt -88.71 116.15 29.88 Favored 'Isoleucine or valine' 0 C--O 1.27 2.159 0 CA-C-O 114.994 -2.431 . . . . 0.0 106.309 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.2 169.51 8.51 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 126.157 2.161 . . . . 0.0 109.67 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 142.89 28.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 123.151 1.453 . . . . 0.0 109.359 -176.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.16 19.06 10.43 Favored 'General case' 0 C--O 1.254 1.342 0 N-CA-C 117.806 2.521 . . . . 0.0 117.806 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.07 159.57 34.48 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 174.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.03 126.61 52.11 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 118.142 -0.932 . . . . 0.0 108.784 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mp -103.17 154.59 19.16 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.597 -2.62 . . . . 0.0 105.776 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . 0.532 ' O ' HG21 ' B' ' 44' ' ' ILE . 3.0 m80 -105.55 135.83 46.24 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 127.644 3.09 . . . . 0.0 105.688 178.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.14 115.78 30.78 Favored 'General case' 0 C--O 1.283 2.845 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.403 176.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.06 139.93 28.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 103.467 -2.79 . . . . 0.0 103.467 175.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.452 ' C ' ' CD2' ' B' ' 71' ' ' LEU . 2.9 tt -96.16 -83.47 0.37 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.101 0.477 . . . . 0.0 109.795 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 . . . . . 0 C--N 1.277 -2.543 0 CA-C-O 113.415 -3.183 . . . . 0.0 105.475 -179.505 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 tttm . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.602 0.715 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.612 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 mt -70.18 -39.66 75.14 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.682 0.754 . . . . 0.0 111.848 172.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -144.29 136.07 22.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.247 1.419 . . . . 0.0 107.461 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.3 148.06 34.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.664 -0.815 . . . . 0.0 110.625 165.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.03 155.17 22.79 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.225 0.953 . . . . 0.0 111.21 173.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -72.29 127.77 33.57 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.338 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.18 147.69 6.74 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.077 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.98 164.85 25.15 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.11 -179.19 3.78 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 15.0 mtt -137.13 161.09 37.09 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.7 156.58 48.34 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.067 -1.453 . . . . 0.0 108.751 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.74 116.16 28.77 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.39 115.91 29.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 106.465 -1.679 . . . . 0.0 106.465 172.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -169.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.1 p -114.01 14.55 18.42 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.383 -0.409 . . . . 0.0 109.962 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 47.4 p -111.96 122.49 47.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 m -76.16 120.0 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 66.5 p -124.07 119.31 26.57 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.17 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.8 59.06 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 117.91 -0.927 . . . . 0.0 111.946 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 172.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.26 59.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -67.04 144.37 56.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -173.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 125.59 26.86 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 171.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . 0.437 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.37 171.26 21.58 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.189 1.438 . . . . 0.0 115.372 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.42 124.33 35.99 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.9 t -90.85 137.5 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.122 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 164.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -151.97 157.85 42.31 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.074 0.94 . . . . 0.0 112.97 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' C' ' 59' ' ' PHE . 3.4 mm -118.84 131.07 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.347 174.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -134.09 137.65 44.75 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -100.16 122.01 42.33 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 18.6 p -84.05 171.12 13.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.272 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.5 -10.47 59.81 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.622 -0.831 . . . . 0.0 113.191 -170.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.69 7.47 14.77 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.044 170.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m 73.8 -1.26 3.12 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.464 1.505 . . . . 0.0 114.703 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.87 149.89 39.39 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 122.186 0.994 . . . . 0.0 113.095 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mp -102.21 129.03 54.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.5 OUTLIER -117.51 125.38 50.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -176.579 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . 0.433 ' HA ' HD12 ' C' ' 49' ' ' ILE . 1.7 m-85 -98.87 119.04 36.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 171.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -127.75 156.76 41.92 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -171.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.47 128.35 41.06 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.485 -1.689 . . . . 0.0 108.646 169.273 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -120.7 134.36 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.753 -176.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.22 115.31 13.58 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 173.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -32.42 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 71.0 p -72.5 -46.16 56.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -175.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 93.5 p -91.42 -20.51 21.71 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.555 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.75 60.84 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.713 -0.493 . . . . 0.0 113.77 -171.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -72.54 130.02 39.66 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.624 1.212 . . . . 0.0 113.144 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.17 109.05 17.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.47 -28.77 15.29 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.047 -171.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.03 135.63 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.782 0.801 . . . . 0.0 109.383 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.08 103.33 2.38 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.06 123.25 45.19 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.253 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.91 124.3 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-O 122.392 1.091 . . . . 0.0 111.717 168.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' C' ' 59' ' ' PHE . 1.9 pp -122.96 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.602 -174.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -101.24 158.99 30.75 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.434 1.084 . . . . 0.0 110.87 173.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.32 133.85 58.05 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.931 2.421 . . . . 0.0 111.289 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.58 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.45 -33.54 71.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 119.038 0.835 . . . . 0.0 109.638 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 31.1 p -154.97 168.18 27.84 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.446 -1.302 . . . . 0.0 113.593 -173.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . 0.459 ' N ' HE21 ' B' ' 49' ' ' GLN . 10.8 tt0 -133.36 139.29 46.73 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.426 -1.716 . . . . 0.0 107.024 -178.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.69 124.19 49.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -148.51 156.48 42.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -67.77 142.85 56.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.426 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . 0.455 ' HB ' HG11 ' C' ' 93' ' ' VAL . 3.0 t -94.29 98.37 2.9 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.07 -31.89 91.28 Favored 'Trans proline' 0 C--N 1.329 -0.479 0 N-CA-C 117.834 2.206 . . . . 0.0 117.834 -167.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -91.08 8.6 34.71 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.011 -1.476 . . . . 0.0 112.145 -164.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . 0.543 ' HB3' HG12 ' C' ' 93' ' ' VAL . 12.6 t -85.09 119.62 72.67 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.96 -19.86 34.09 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.488 -173.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 56.3 m -65.52 -34.63 78.71 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.351 0.523 . . . . 0.0 110.047 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 12.99 64.73 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.587 -172.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -120.97 17.1 11.74 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . 0.543 HG12 ' HB3' ' C' ' 88' ' ' CYS . 2.5 p -97.08 133.5 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -125.1 151.79 45.23 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 125.46 1.725 . . . . 0.0 110.404 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.03 135.32 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tt -95.41 108.09 20.27 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 169.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.19 125.17 51.94 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -171.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -84.88 115.66 22.89 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.154 0.909 . . . . 0.0 109.214 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -25.21 68.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.355 -169.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.26 115.17 28.88 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.93 172.39 27.68 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -172.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.37 9.03 33.3 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 122.037 -0.684 . . . . 0.0 110.549 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.65 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.606 -165.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.74 46.18 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.958 175.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -124.5 126.17 45.43 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 171.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.84 143.59 30.82 Favored 'General case' 0 N--CA 1.442 -0.875 0 O-C-N 124.722 1.264 . . . . 0.0 110.297 -177.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -137.03 156.67 48.13 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.344 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.46 126.67 35.64 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.544 -0.863 . . . . 0.0 110.36 175.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.65 137.84 58.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.198 -174.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -118.91 3.97 11.5 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.276 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 135.89 93.88 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.099 1.428 . . . . 0.0 108.614 172.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.36 -41.23 42.96 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.561 -1.16 . . . . 0.0 112.447 -174.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -96.18 146.9 24.29 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.508 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 23.1 p -83.39 -9.4 59.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.133 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -33.88 55.9 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -103.07 5.74 38.21 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -56.89 -48.77 77.42 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 118.946 -1.102 . . . . 0.0 110.306 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -69.83 -32.14 70.4 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.597 -173.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -44.0 79.84 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -45.88 77.56 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.015 -1.053 . . . . 0.0 112.249 173.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . 0.808 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 10.6 t -60.63 -43.03 97.99 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.611 0.72 . . . . 0.0 110.324 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.88 -43.44 98.84 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.152 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -64.22 -42.29 96.65 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . 0.808 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 5.7 m -52.37 -51.84 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.456 175.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.37 -39.43 87.19 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -46.0 82.18 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.823 0.344 . . . . 0.0 111.51 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -79.12 -24.42 43.39 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 119.428 -0.909 . . . . 0.0 112.3 -174.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.04 -36.11 41.57 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.794 -0.763 . . . . 0.0 112.24 174.511 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . 0.496 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.0 OUTLIER -110.78 -11.09 14.42 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -168.541 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -141.18 71.88 27.33 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 169.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -79.3 168.42 20.19 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.598 1.532 . . . . 0.0 111.678 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo . . . . . 0 C--N 1.289 -2.564 0 C-N-CA 122.466 2.11 . . . . 0.0 111.559 179.898 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 mmt . . . . . 0 CA--C 1.55 0.951 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.11 138.27 31.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 126.964 2.665 . . . . 0.0 108.901 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 pt -131.27 162.99 38.29 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.38 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.99 140.24 49.45 Favored 'General case' 0 N--CA 1.513 2.678 1 O-C-N 130.624 4.952 . . . . 0.0 108.772 179.61 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-O 113.423 -3.18 . . . . 0.0 105.634 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 127.55 41.35 Favored 'General case' 0 N--CA 1.506 2.374 1 O-C-N 129.307 4.13 . . . . 0.0 107.867 -178.087 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -99.59 170.86 8.29 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.269 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -6.93 49.43 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.142 0.901 . . . . 0.0 112.747 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -101.56 15.03 30.18 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 115.68 -2.408 . . . . 0.0 111.972 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 16.9 80.09 Favored Glycine 0 C--N 1.297 -1.621 0 O-C-N 120.204 -1.56 . . . . 0.0 116.08 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 138.05 34.63 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 174.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 p -120.0 131.66 55.22 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 126.544 2.403 . . . . 0.0 105.965 176.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mm -109.54 141.96 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 127.65 3.094 . . . . 0.0 108.857 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 t -101.39 139.7 36.7 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.176 -1.809 . . . . 0.0 108.188 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -126.43 154.0 44.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 115.443 -2.218 . . . . 0.0 108.32 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -111.81 121.01 43.92 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.226 4.079 . . . . 0.0 103.643 173.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.1 m -138.94 170.55 16.07 Favored 'Isoleucine or valine' 0 C--O 1.255 1.345 0 O-C-N 127.51 3.006 . . . . 0.0 111.266 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -119.91 144.43 37.4 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 112.451 -2.159 . . . . 0.0 106.445 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -55.01 -24.29 39.16 Favored 'Trans proline' 0 C--N 1.321 -0.9 0 C-N-CA 122.468 2.112 . . . . 0.0 112.004 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.7 p -80.04 -8.07 59.18 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.92 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.13 148.47 47.38 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 117.297 -1.761 . . . . 0.0 109.846 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.67 160.52 21.32 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 175.76 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -61.51 -37.04 76.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.848 0 O-C-N 127.148 2.78 . . . . 0.0 110.189 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.55 -40.25 78.47 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.32 -0.862 . . . . 0.0 110.658 177.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.33 -41.86 80.18 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 121.837 -0.539 . . . . 0.0 110.984 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.29 -46.46 88.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 O-C-N 124.473 1.108 . . . . 0.0 109.137 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -60.74 -37.98 83.58 Favored 'General case' 0 C--O 1.26 1.63 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.7 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.08 87.23 Favored 'General case' 0 C--O 1.278 2.564 0 CA-C-N 118.144 0.429 . . . . 0.0 111.154 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -37.43 87.44 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 120.432 -1.417 . . . . 0.0 110.701 176.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.07 -39.47 77.25 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -48.71 78.73 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 125.496 2.569 . . . . 0.0 109.102 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -53.23 -41.71 65.69 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-N 113.466 -1.697 . . . . 0.0 111.935 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 16.0 ttmt -93.67 -24.19 17.97 Favored 'General case' 0 C--O 1.281 2.732 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 -175.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.48 -6.42 8.14 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.146 2.703 . . . . 0.0 114.194 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.56 90.02 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.934 2.334 . . . . 0.0 118.934 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 68.5 mt -79.85 124.76 83.14 Favored Pre-proline 0 C--O 1.244 0.764 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.936 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.9 Cg_exo -56.94 136.87 79.15 Favored 'Trans proline' 0 C--O 1.259 1.527 0 C-N-CA 123.362 2.708 . . . . 0.0 110.815 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.31 -31.83 92.04 Favored 'Trans proline' 0 C--O 1.262 1.691 0 O-C-N 122.949 0.973 . . . . 0.0 113.605 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -15.19 63.45 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 119.921 -1.737 . . . . 0.0 112.213 -177.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.07 -10.19 29.01 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.709 -1.245 . . . . 0.0 112.027 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -84.9 129.62 34.78 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 124.35 2.024 . . . . 0.0 115.68 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.07 116.1 24.37 Favored 'General case' 0 C--O 1.299 3.67 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 171.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -103.54 130.12 50.89 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 119.462 1.028 . . . . 0.0 109.932 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mm -122.0 131.92 72.08 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 O-C-N 125.219 1.575 . . . . 0.0 111.923 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -144.41 129.54 18.62 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.09 19.68 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.229 -2.26 . . . . 0.0 110.781 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.6 21.7 60.77 Favored Glycine 0 N--CA 1.432 -1.627 0 C-N-CA 128.694 3.045 . . . . 0.0 117.513 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -114.88 142.82 46.06 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -85.88 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.502 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.8 mt -79.43 138.05 37.47 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 117.581 -1.199 . . . . 0.0 110.276 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -101.72 140.12 36.44 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 125.182 1.551 . . . . 0.0 109.933 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -48.01 -42.51 28.31 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -175.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.92 85.41 Favored Glycine 0 CA--C 1.49 -1.496 0 N-CA-C 116.195 1.238 . . . . 0.0 116.195 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 165.35 17.29 Favored 'General case' 0 C--O 1.25 1.107 0 O-C-N 119.838 -1.977 . . . . 0.0 108.001 176.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 53.1 p -104.43 164.87 11.43 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -36.15 79.78 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 m -64.06 -29.46 70.6 Favored 'General case' 0 C--O 1.267 1.998 0 C-N-CA 117.287 -1.765 . . . . 0.0 112.255 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.52 -39.58 70.69 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 122.421 1.105 . . . . 0.0 110.703 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -90.76 4.69 50.9 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.996 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.12 45.22 17.97 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 121.584 1.993 . . . . 0.0 111.201 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -88.76 116.55 30.59 Favored 'Isoleucine or valine' 0 C--O 1.267 1.999 0 CA-C-O 115.147 -2.359 . . . . 0.0 106.194 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -103.57 169.61 8.43 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 126.028 2.08 . . . . 0.0 109.334 -176.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 142.87 27.7 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 123.193 1.473 . . . . 0.0 109.168 -176.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 67.05 19.15 10.54 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 118.027 2.602 . . . . 0.0 118.027 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.17 159.55 34.45 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.16 126.73 52.29 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.863 175.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.2 mt -103.23 154.52 19.25 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.851 -2.5 . . . . 0.0 105.631 175.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -105.57 135.66 46.57 Favored 'General case' 0 C--N 1.287 -2.112 0 O-C-N 127.3 2.875 . . . . 0.0 105.846 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.4 tp -106.95 115.75 30.72 Favored 'General case' 0 C--O 1.284 2.895 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.407 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.0 139.92 28.33 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 103.568 -2.752 . . . . 0.0 103.568 175.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.8 mt -96.1 138.83 33.14 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.247 0.546 . . . . 0.0 109.838 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.525 0 CA-C-O 113.148 -3.311 . . . . 0.0 105.605 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -91.02 138.44 31.6 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 127.111 2.757 . . . . 0.0 108.838 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.5 pp -131.13 163.06 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.3 0 CA-C-O 115.77 -2.062 . . . . 0.0 105.92 173.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -115.92 140.16 49.52 Favored 'General case' 0 N--CA 1.515 2.795 1 O-C-N 130.56 4.913 . . . . 0.0 108.613 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.83 114.05 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.855 175.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.19 127.69 41.44 Favored 'General case' 0 N--CA 1.503 2.177 1 O-C-N 129.164 4.04 . . . . 0.0 108.047 -178.071 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.1 t -99.59 170.85 8.3 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 28.3 mt -73.34 -7.04 49.92 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 124.137 0.898 . . . . 0.0 112.834 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.24 14.9 30.52 Favored 'General case' 0 N--CA 1.505 2.296 0 C-N-CA 115.724 -2.391 . . . . 0.0 111.916 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.3 16.74 80.19 Favored Glycine 0 C--N 1.296 -1.664 0 O-C-N 120.232 -1.543 . . . . 0.0 116.117 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.28 137.8 34.82 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 174.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.79 131.91 55.46 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 126.363 2.289 . . . . 0.0 106.179 176.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.51 141.76 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 127.747 3.154 . . . . 0.0 109.15 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 29.3 p -101.18 139.95 36.16 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 116.931 -1.908 . . . . 0.0 108.408 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.1 mt -126.56 154.02 44.45 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 115.426 -2.226 . . . . 0.0 108.388 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -111.76 121.22 44.5 Favored 'General case' 0 N--CA 1.495 1.822 1 O-C-N 129.256 4.097 . . . . 0.0 103.551 174.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.15 170.65 15.7 Favored 'Isoleucine or valine' 0 C--O 1.252 1.212 0 O-C-N 127.768 3.167 . . . . 0.0 111.179 -177.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.05 144.64 38.1 Favored Pre-proline 0 C--N 1.313 -0.99 0 CA-C-N 112.008 -2.36 . . . . 0.0 106.346 174.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.83 -24.76 39.97 Favored 'Trans proline' 0 C--N 1.317 -1.115 0 C-N-CA 122.632 2.221 . . . . 0.0 111.606 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -79.81 -8.31 59.2 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.91 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.88 148.42 47.81 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.794 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.75 160.46 21.25 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 0.424 HG12 ' HB3' ' B' ' 50' ' ' LEU . 1.9 mt -61.4 -36.8 75.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 O-C-N 126.962 2.664 . . . . 0.0 110.408 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.778 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.13 -42.95 77.73 Favored 'General case' 0 C--O 1.253 1.274 0 O-C-N 120.399 -1.438 . . . . 0.0 110.972 176.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.43 -44.53 90.91 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 124.195 0.998 . . . . 0.0 111.421 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -58.51 -46.32 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.854 1.346 . . . . 0.0 109.025 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -60.83 -37.88 83.55 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.868 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.94 86.53 Favored 'General case' 0 C--O 1.278 2.568 0 O-C-N 123.365 0.416 . . . . 0.0 111.372 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -64.0 -37.46 87.49 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 120.379 -1.451 . . . . 0.0 110.859 175.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.71 -39.7 78.37 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -48.76 78.86 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 125.566 2.603 . . . . 0.0 108.98 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -41.71 66.73 Favored 'General case' 0 C--O 1.257 1.481 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.866 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 4.8 ttmt -93.41 -24.37 18.08 Favored 'General case' 0 C--O 1.28 2.701 0 N-CA-C 117.2 2.296 . . . . 0.0 117.2 -175.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.66 -6.28 8.05 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 122.963 2.62 . . . . 0.0 113.723 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.59 90.04 Favored Glycine 0 CA--C 1.476 -2.381 0 N-CA-C 118.762 2.265 . . . . 0.0 118.762 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.431 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 86.7 mt -79.92 125.02 82.86 Favored Pre-proline 0 C--O 1.242 0.687 0 C-N-CA 118.766 -1.174 . . . . 0.0 111.044 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 83.3 Cg_exo -57.19 137.01 79.82 Favored 'Trans proline' 0 C--O 1.255 1.371 0 C-N-CA 122.987 2.458 . . . . 0.0 110.824 178.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -57.2 -32.12 92.6 Favored 'Trans proline' 0 C--O 1.26 1.622 0 O-C-N 123.133 1.07 . . . . 0.0 113.396 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -15.7 63.66 Favored 'General case' 0 C--O 1.264 1.855 0 O-C-N 119.899 -1.75 . . . . 0.0 112.145 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.644 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 19.2 mm-40 -95.41 -10.54 29.67 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.493 -1.379 . . . . 0.0 112.23 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -84.84 129.63 34.78 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 124.271 1.986 . . . . 0.0 115.746 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 2.2 mmt180 -121.18 116.05 24.2 Favored 'General case' 0 C--O 1.3 3.719 0 N-CA-C 104.74 -2.319 . . . . 0.0 104.74 172.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 mt -103.49 130.33 50.84 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 119.529 1.059 . . . . 0.0 109.958 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.03 131.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 O-C-N 125.164 1.54 . . . . 0.0 112.085 -177.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.992 ' O ' ' OH ' ' B' ' 59' ' ' TYR . 57.3 t80 -144.28 129.79 18.99 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.291 -2.115 . . . . 0.0 105.291 177.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.69 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 111.915 -2.402 . . . . 0.0 110.635 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.97 20.17 59.77 Favored Glycine 0 C--N 1.299 -1.526 0 C-N-CA 128.175 2.798 . . . . 0.0 117.293 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . 0.569 ' HB2' ' CZ ' ' B' ' 59' ' ' TYR . 25.1 mtt180 -109.97 143.78 39.45 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 115.412 -2.233 . . . . 0.0 110.95 174.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -87.17 130.34 34.58 Favored 'General case' 0 C--N 1.282 -2.366 0 N-CA-C 103.959 -2.608 . . . . 0.0 103.959 173.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.424 ' HB3' HG12 ' B' ' 23' ' ' ILE . 5.5 mp -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 117.507 -1.235 . . . . 0.0 110.096 -175.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.89 140.03 36.73 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.271 1.607 . . . . 0.0 109.903 -177.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.778 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.5 OUTLIER -48.19 -42.09 28.95 Favored 'General case' 0 C--O 1.263 1.765 0 N-CA-C 120.807 3.632 . . . . 0.0 120.807 -175.851 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.48 85.26 Favored Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 116.002 1.161 . . . . 0.0 116.002 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -85.64 165.24 17.17 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 120.181 -1.776 . . . . 0.0 107.966 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 43.4 p -104.24 164.43 11.73 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 177.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -36.46 79.52 Favored 'General case' 0 C--O 1.201 -1.49 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -29.77 70.96 Favored 'General case' 0 C--O 1.266 1.921 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.185 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -39.02 70.41 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.498 1.142 . . . . 0.0 110.809 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.992 ' OH ' ' O ' ' B' ' 45' ' ' PHE . 0.6 OUTLIER -91.09 4.44 52.14 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 117.648 -1.168 . . . . 0.0 112.931 179.147 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.11 45.22 18.0 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.644 2.02 . . . . 0.0 111.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 mt -88.68 116.27 30.06 Favored 'Isoleucine or valine' 0 C--O 1.269 2.114 0 CA-C-O 115.019 -2.419 . . . . 0.0 106.276 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 169.57 8.47 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 126.151 2.157 . . . . 0.0 109.716 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.11 143.0 28.58 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.176 1.465 . . . . 0.0 109.225 -176.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.14 19.07 10.44 Favored 'General case' 0 C--O 1.254 1.336 0 N-CA-C 117.8 2.519 . . . . 0.0 117.8 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.9 p -71.21 159.64 34.28 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.5 t -119.04 126.61 52.1 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 118.243 -0.885 . . . . 0.0 108.775 175.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 mt -103.15 154.61 19.12 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 114.685 -2.579 . . . . 0.0 105.714 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.68 135.84 46.37 Favored 'General case' 0 C--N 1.283 -2.286 0 O-C-N 127.572 3.045 . . . . 0.0 105.635 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tt -107.17 115.88 30.94 Favored 'General case' 0 C--O 1.284 2.872 0 CA-C-O 117.732 -1.128 . . . . 0.0 111.337 176.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.4 t -108.14 139.85 28.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.644 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.5 0.37 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.082 0.468 . . . . 0.0 109.818 178.47 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.45 ' N ' HD13 ' B' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.276 -2.604 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.393 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 mttm . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.643 0.735 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.607 -178.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' C' ' 127' ' ' TYR . 0.1 OUTLIER -70.18 -39.69 75.1 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.647 0.737 . . . . 0.0 111.8 172.485 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.472 ' HB ' HG12 ' C' ' 49' ' ' ILE . 0.5 OUTLIER -144.29 136.05 21.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.247 1.419 . . . . 0.0 107.497 -178.201 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -144.28 148.03 34.31 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.541 165.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -160.96 155.29 23.13 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.159 0.912 . . . . 0.0 111.191 173.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -72.29 127.84 33.81 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.216 -1.356 . . . . 0.0 112.313 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-O 122.112 0.958 . . . . 0.0 110.088 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.84 25.21 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -109.14 -179.21 3.78 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.6 mtt -137.13 161.08 37.1 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 25.6 m -136.74 156.54 48.39 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.038 -1.465 . . . . 0.0 108.702 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mp -92.75 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -112.34 115.82 29.36 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.22 -116.04 8.62 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -113.97 14.56 18.47 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.369 -0.415 . . . . 0.0 109.962 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 30.1 p -112.04 122.53 48.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -172.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 27.6 m -76.17 120.07 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -124.12 119.31 26.51 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.17 -173.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.82 134.83 59.57 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 117.954 -0.898 . . . . 0.0 111.885 173.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -85.79 132.22 34.16 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 172.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.25 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -67.08 144.41 56.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -68.11 125.59 26.83 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.21 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.338 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mt -128.42 124.39 36.14 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 40.1 t -91.01 137.55 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -151.94 157.82 42.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.982 0.896 . . . . 0.0 113.024 175.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.563 ' HB ' ' HD1' ' C' ' 127' ' ' TYR . 0.5 OUTLIER -118.83 131.09 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 113.58 -1.645 . . . . 0.0 108.363 174.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.58 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . 0.519 ' CB ' ' OH ' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -100.16 122.08 42.43 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.305 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -84.11 171.1 13.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.237 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -10.53 59.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.69 7.53 14.61 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.031 171.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.78 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.428 1.491 . . . . 0.0 114.808 -177.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 61.4 mt -74.89 149.94 39.33 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 122.201 1.001 . . . . 0.0 113.008 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mt -102.26 129.11 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.143 -177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.0 m170 -117.62 125.32 50.55 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . 0.468 ' CD1' HG22 ' C' ' 49' ' ' ILE . 3.4 m-85 -98.78 118.96 36.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 171.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -127.63 156.82 41.7 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -171.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -130.51 128.37 41.05 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.622 169.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 134.31 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.775 -176.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.24 115.32 13.61 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -64.01 -32.42 73.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 55.6 p -72.54 -46.15 55.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -174.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.42 -20.55 21.67 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.578 -176.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.66 2.72 61.22 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-O 119.708 -0.496 . . . . 0.0 113.713 -171.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -72.54 130.05 39.73 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.669 1.234 . . . . 0.0 113.107 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -84.23 109.11 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -94.48 -28.84 15.25 Favored 'General case' 0 C--O 1.206 -1.222 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.999 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.96 135.54 54.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.849 0.833 . . . . 0.0 109.436 177.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -155.05 103.32 2.38 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 104.515 -2.402 . . . . 0.0 104.515 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.04 123.25 45.23 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.285 -1.325 . . . . 0.0 109.236 -174.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 pp -75.86 124.31 33.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.401 1.096 . . . . 0.0 111.668 168.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 3.9 mm -122.98 130.32 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.607 -174.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -101.25 159.06 30.56 Favored Pre-proline 0 C--O 1.24 0.595 0 O-C-N 124.489 1.118 . . . . 0.0 110.899 173.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.36 133.95 58.66 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.916 2.411 . . . . 0.0 111.259 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.78 5.88 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 -175.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.4 -33.62 71.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 119.038 0.835 . . . . 0.0 109.647 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 168.22 27.67 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.442 -1.303 . . . . 0.0 113.605 -173.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -133.47 139.31 46.6 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.519 -1.673 . . . . 0.0 106.992 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -106.71 124.16 49.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -148.5 156.5 42.54 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 142.86 56.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.379 177.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -94.28 98.27 2.83 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -60.99 -32.0 91.91 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.786 2.187 . . . . 0.0 117.786 -167.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.1 8.65 34.48 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.931 -1.508 . . . . 0.0 112.225 -164.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 25.2 p -85.08 119.72 72.78 Favored Pre-proline 0 CA--C 1.515 -0.381 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -57.0 -19.81 34.16 Favored 'Trans proline' 0 C--N 1.346 0.443 0 O-C-N 122.982 0.991 . . . . 0.0 114.42 -173.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 88.5 p -65.59 -34.63 78.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.369 0.532 . . . . 0.0 110.036 178.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.58 12.92 64.88 Favored Glycine 0 CA--C 1.506 -0.511 0 O-C-N 123.989 0.806 . . . . 0.0 111.492 -172.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -120.93 17.1 11.77 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 31.8 t -97.01 133.41 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.152 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -125.0 151.79 45.08 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.479 1.737 . . . . 0.0 110.428 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.0 p -127.02 135.44 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -95.58 108.12 20.36 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 169.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 125.23 52.02 Favored 'General case' 0 CA--C 1.486 -1.509 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -171.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -84.84 115.72 22.9 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.142 0.901 . . . . 0.0 109.205 176.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -25.18 68.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.353 -169.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.27 115.23 28.98 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 173.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . 0.526 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.85 172.42 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -91.39 9.0 33.51 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.069 -0.665 . . . . 0.0 110.561 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -70.59 129.15 38.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.588 -165.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.02 141.86 46.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.919 175.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mp -124.62 126.2 45.38 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 171.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.92 143.65 30.82 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.698 1.249 . . . . 0.0 110.316 -177.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -137.04 156.72 48.06 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.297 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -131.44 126.57 35.4 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.413 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 2.5 mmt -62.65 137.81 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.306 -174.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -118.91 4.05 11.49 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.627 -1.169 . . . . 0.0 110.258 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.3 135.87 93.87 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.118 1.437 . . . . 0.0 108.671 172.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.31 -41.31 42.74 Favored 'Trans proline' 0 C--O 1.247 0.953 0 C-N-CA 117.539 -1.174 . . . . 0.0 112.434 -174.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.12 146.94 24.24 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 121.148 0.499 . . . . 0.0 110.536 173.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.3 t -83.39 -9.31 59.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.216 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -33.81 55.9 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.17 5.79 37.99 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -174.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -56.92 -48.74 77.54 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.926 -1.11 . . . . 0.0 110.312 -177.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -32.2 70.49 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.56 -173.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -43.99 80.01 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.59 -45.87 77.33 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.952 -1.093 . . . . 0.0 112.314 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -43.05 97.98 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 121.657 0.742 . . . . 0.0 110.291 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.54 98.63 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.05 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -64.16 -42.33 96.78 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 1.8 t -52.31 -51.91 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.41 175.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.37 -39.48 87.41 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -46.03 82.19 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.44 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . 0.563 ' HD1' ' HB ' ' C' ' 49' ' ' ILE . 11.7 t80 -79.03 -24.56 43.56 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.436 -0.905 . . . . 0.0 112.405 -174.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' C' ' 59' ' ' PHE . 0.0 OUTLIER -78.96 -36.15 42.02 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.765 -0.774 . . . . 0.0 112.278 174.477 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.69 -11.1 14.45 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -168.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -141.17 71.8 27.44 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 169.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -82.85 170.59 12.45 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.65 1.566 . . . . 0.0 111.644 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--N 1.289 -2.589 0 C-N-CA 122.544 2.162 . . . . 0.0 111.597 179.75 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.932 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -91.1 138.23 31.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 126.841 2.588 . . . . 0.0 108.858 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.31 163.01 38.26 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.387 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 173.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.96 140.16 49.53 Favored 'General case' 0 N--CA 1.513 2.676 1 O-C-N 130.557 4.911 . . . . 0.0 108.773 179.696 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -118.03 114.25 44.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-O 113.422 -3.18 . . . . 0.0 105.614 175.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.19 127.5 41.29 Favored 'General case' 0 N--CA 1.504 2.265 1 O-C-N 129.269 4.105 . . . . 0.0 107.96 -178.118 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.62 170.73 8.38 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.883 -1.056 . . . . 0.0 109.325 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -7.0 49.63 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.093 0.871 . . . . 0.0 112.653 -177.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -101.58 15.04 30.14 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.634 -2.427 . . . . 0.0 111.945 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.71 80.14 Favored Glycine 0 C--N 1.297 -1.592 0 O-C-N 120.262 -1.524 . . . . 0.0 116.057 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -96.44 138.14 34.47 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 174.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.9 p -119.98 131.66 55.24 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 126.608 2.443 . . . . 0.0 105.93 176.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 mm -109.57 141.93 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 127.637 3.086 . . . . 0.0 108.823 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -101.31 139.64 36.71 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 117.19 -1.804 . . . . 0.0 108.237 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.38 154.09 44.05 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 115.449 -2.215 . . . . 0.0 108.29 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -111.86 121.02 43.91 Favored 'General case' 0 N--CA 1.5 2.028 1 O-C-N 129.215 4.072 . . . . 0.0 103.608 173.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -138.89 170.62 16.01 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 O-C-N 127.589 3.056 . . . . 0.0 111.297 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 3.6 mp0 -119.93 144.5 37.58 Favored Pre-proline 0 C--N 1.315 -0.931 0 CA-C-N 112.423 -2.171 . . . . 0.0 106.342 174.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 76.3 Cg_exo -54.93 -24.42 39.17 Favored 'Trans proline' 0 C--N 1.321 -0.919 0 C-N-CA 122.553 2.169 . . . . 0.0 111.979 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 p -79.95 -8.25 59.23 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 117.919 -1.039 . . . . 0.0 110.838 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -71.0 148.45 47.62 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 117.372 -1.731 . . . . 0.0 109.86 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.472 ' O ' HG12 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -83.72 160.46 21.28 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.808 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.582 ' O ' HG22 ' A' ' 26' ' ' VAL . 21.0 mm -61.39 -37.15 77.04 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 O-C-N 127.17 2.794 . . . . 0.0 110.233 175.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -40.08 78.25 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.317 -0.865 . . . . 0.0 110.813 177.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.32 -41.98 80.03 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 121.967 -0.458 . . . . 0.0 110.937 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -58.22 -46.4 88.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 O-C-N 124.345 1.028 . . . . 0.0 109.226 178.166 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 84.0 mttt -60.85 -37.95 83.85 Favored 'General case' 0 C--O 1.259 1.585 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.7 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.05 87.02 Favored 'General case' 0 C--O 1.277 2.512 0 CA-C-N 118.197 0.453 . . . . 0.0 111.13 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -37.45 87.48 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-O 123.081 1.42 . . . . 0.0 110.729 176.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.8 mt -70.01 -39.59 77.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.21 -48.73 78.71 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 125.547 2.594 . . . . 0.0 109.104 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -41.67 65.71 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.51 -1.677 . . . . 0.0 111.96 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 10.5 tttt -93.63 -24.33 17.94 Favored 'General case' 0 C--O 1.281 2.75 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 -175.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.3 -6.53 8.24 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 123.108 2.685 . . . . 0.0 114.276 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.7 89.97 Favored Glycine 0 CA--C 1.479 -2.209 0 N-CA-C 118.931 2.332 . . . . 0.0 118.931 176.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 31.3 mt -79.77 124.76 83.29 Favored Pre-proline 0 C--O 1.243 0.716 0 C-N-CA 118.876 -1.129 . . . . 0.0 110.913 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.8 Cg_exo -56.9 136.84 78.9 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.249 2.633 . . . . 0.0 110.827 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.1 -32.0 91.99 Favored 'Trans proline' 0 C--O 1.264 1.782 0 O-C-N 123.009 1.005 . . . . 0.0 113.649 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -68.46 -15.33 63.51 Favored 'General case' 0 C--O 1.261 1.692 0 O-C-N 119.806 -1.809 . . . . 0.0 112.247 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -96.11 -10.2 28.88 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.689 -1.257 . . . . 0.0 111.954 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -84.91 129.59 34.78 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 124.351 2.024 . . . . 0.0 115.767 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.05 116.17 24.53 Favored 'General case' 0 C--O 1.299 3.688 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 171.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -103.5 130.12 50.81 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 119.501 1.046 . . . . 0.0 109.968 -177.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -122.05 131.92 72.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 O-C-N 125.136 1.522 . . . . 0.0 111.797 -177.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -144.48 129.52 18.53 Favored 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 177.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.457 ' H ' ' HE1' ' C' ' 98' ' ' PHE . . . 48.21 46.08 19.87 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 112.28 -2.236 . . . . 0.0 110.723 177.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.68 21.72 60.98 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 128.653 3.025 . . . . 0.0 117.449 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -115.05 142.76 46.21 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.79 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.527 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.48 138.05 37.43 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 117.61 -1.186 . . . . 0.0 110.204 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -101.81 140.12 36.52 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.036 1.46 . . . . 0.0 109.996 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.92 -42.66 27.78 Favored 'General case' 0 C--O 1.263 1.774 0 N-CA-C 120.781 3.622 . . . . 0.0 120.781 -175.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.53 -8.94 85.48 Favored Glycine 0 CA--C 1.491 -1.45 0 N-CA-C 116.204 1.242 . . . . 0.0 116.204 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -85.39 165.35 17.29 Favored 'General case' 0 C--O 1.251 1.174 0 O-C-N 119.858 -1.966 . . . . 0.0 108.017 176.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.0 p -104.49 164.81 11.49 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 176.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.8 mt -61.5 -36.02 79.33 Favored 'General case' 0 C--O 1.201 -1.453 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -64.31 -29.37 70.46 Favored 'General case' 0 C--O 1.267 2.013 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.12 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.55 -39.53 70.72 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.457 1.122 . . . . 0.0 110.757 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -90.77 4.63 51.1 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 117.782 -1.104 . . . . 0.0 113.044 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 m120 58.17 45.14 17.94 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 121.544 1.975 . . . . 0.0 111.193 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -88.7 116.5 30.47 Favored 'Isoleucine or valine' 0 C--O 1.267 2.021 0 CA-C-O 115.124 -2.37 . . . . 0.0 106.247 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.56 169.7 8.38 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 126.111 2.132 . . . . 0.0 109.359 -176.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.9 142.94 27.67 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.249 1.499 . . . . 0.0 109.145 -176.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.0 19.31 10.58 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 117.966 2.58 . . . . 0.0 117.966 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -71.25 159.58 34.37 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 174.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.13 126.73 52.3 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 118.17 -0.919 . . . . 0.0 108.849 175.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.19 154.59 19.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 114.769 -2.538 . . . . 0.0 105.686 175.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -105.7 135.64 46.76 Favored 'General case' 0 C--N 1.287 -2.151 0 O-C-N 127.342 2.901 . . . . 0.0 105.813 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.4 tp -106.85 115.87 30.93 Favored 'General case' 0 C--O 1.286 2.984 0 CA-C-O 117.563 -1.208 . . . . 0.0 111.396 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.12 139.91 28.55 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 103.5 -2.778 . . . . 0.0 103.5 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mp -96.1 138.96 32.97 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.205 0.526 . . . . 0.0 109.82 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 . . . . . 0 C--N 1.279 -2.497 0 CA-C-O 113.162 -3.304 . . . . 0.0 105.518 178.65 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -91.0 138.52 31.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 127.112 2.758 . . . . 0.0 108.72 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' B' ' 65' ' ' SER . 7.8 tt -131.21 163.0 38.25 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.323 0 CA-C-O 115.735 -2.079 . . . . 0.0 105.917 173.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.88 140.16 49.51 Favored 'General case' 0 N--CA 1.514 2.74 1 O-C-N 130.669 4.981 . . . . 0.0 108.625 179.784 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . 0.517 ' HA ' ' HG ' ' B' ' 67' ' ' LEU . 0.1 OUTLIER -117.9 114.04 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.852 175.486 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -95.11 127.59 41.28 Favored 'General case' 0 N--CA 1.503 2.188 1 O-C-N 129.228 4.08 . . . . 0.0 108.185 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p -99.51 170.88 8.3 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.78 -1.105 . . . . 0.0 109.298 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -6.97 49.64 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 124.077 0.861 . . . . 0.0 112.811 -178.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.28 14.79 30.87 Favored 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 115.652 -2.419 . . . . 0.0 111.909 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.53 16.61 80.09 Favored Glycine 0 C--N 1.295 -1.73 0 O-C-N 120.167 -1.583 . . . . 0.0 115.977 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -96.21 137.92 34.58 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -119.85 131.84 55.4 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 126.328 2.268 . . . . 0.0 106.254 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.51 141.8 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.726 3.141 . . . . 0.0 109.089 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.2 m -101.17 139.94 36.16 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 117.035 -1.866 . . . . 0.0 108.324 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.9 mt -126.57 154.06 44.4 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 115.525 -2.179 . . . . 0.0 108.384 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.84 121.13 44.21 Favored 'General case' 0 N--CA 1.495 1.776 1 O-C-N 129.172 4.045 . . . . 0.0 103.518 174.094 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.12 170.6 15.8 Favored 'Isoleucine or valine' 0 C--O 1.254 1.325 0 O-C-N 127.936 3.272 . . . . 0.0 111.217 -177.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -119.96 144.51 37.65 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 112.112 -2.313 . . . . 0.0 106.426 174.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.83 -24.66 39.5 Favored 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 122.697 2.264 . . . . 0.0 111.562 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.3 p -79.93 -8.28 59.24 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.911 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.91 148.44 47.75 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 117.287 -1.765 . . . . 0.0 109.817 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.79 160.58 21.19 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . 1.335 HG23 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.41 -36.81 75.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 126.928 2.643 . . . . 0.0 110.413 175.815 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -42.84 77.61 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 120.399 -1.438 . . . . 0.0 111.002 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -64.59 -44.5 90.42 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 124.191 0.996 . . . . 0.0 111.322 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -46.22 90.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.805 1.316 . . . . 0.0 109.046 178.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.76 -37.96 83.6 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.871 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -38.02 86.73 Favored 'General case' 0 C--O 1.277 2.536 0 O-C-N 123.319 0.387 . . . . 0.0 111.297 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -64.01 -37.46 87.51 Favored 'General case' 0 C--O 1.254 1.335 0 CA-C-O 122.97 1.366 . . . . 0.0 110.833 175.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.68 -39.71 78.44 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -62.02 -48.86 78.41 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 125.518 2.58 . . . . 0.0 108.959 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -41.81 66.21 Favored 'General case' 0 C--O 1.257 1.484 0 CA-C-N 113.617 -1.629 . . . . 0.0 111.862 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.0 OUTLIER -93.4 -24.35 18.1 Favored 'General case' 0 C--O 1.28 2.704 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -175.842 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -123.66 -6.38 8.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 122.927 2.603 . . . . 0.0 113.771 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.6 90.01 Favored Glycine 0 CA--C 1.477 -2.301 0 N-CA-C 118.693 2.237 . . . . 0.0 118.693 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.4 mm -79.8 125.15 82.83 Favored Pre-proline 0 C--O 1.243 0.731 0 C-N-CA 118.64 -1.224 . . . . 0.0 111.111 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -57.23 137.0 79.76 Favored 'Trans proline' 0 C--O 1.256 1.393 0 C-N-CA 122.961 2.441 . . . . 0.0 110.885 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.11 -32.41 93.23 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 123.066 1.035 . . . . 0.0 113.33 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -15.51 63.61 Favored 'General case' 0 C--O 1.265 1.901 0 O-C-N 120.049 -1.657 . . . . 0.0 112.271 -177.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.629 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 14.7 mt-30 -95.57 -10.57 29.21 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.483 -1.386 . . . . 0.0 112.176 178.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -84.84 129.59 34.79 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 124.18 1.943 . . . . 0.0 115.742 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -121.08 116.09 24.35 Favored 'General case' 0 C--O 1.298 3.641 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 172.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 mt -103.6 130.3 51.01 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.504 1.047 . . . . 0.0 109.927 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . 0.509 ' C ' ' CD2' ' B' ' 45' ' ' PHE . 4.3 mp -122.07 131.59 72.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 O-C-N 125.149 1.531 . . . . 0.0 111.982 -177.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . 0.729 ' N ' ' CD2' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.17 129.8 19.14 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 177.453 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.9 19.64 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 111.981 -2.372 . . . . 0.0 110.66 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.01 20.09 59.79 Favored Glycine 0 C--N 1.299 -1.502 0 C-N-CA 128.151 2.786 . . . . 0.0 117.355 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.89 143.83 39.25 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 115.342 -2.266 . . . . 0.0 110.94 174.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.09 130.34 34.54 Favored 'General case' 0 C--N 1.28 -2.443 0 N-CA-C 103.961 -2.607 . . . . 0.0 103.961 173.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' B' ' 45' ' ' PHE . 36.0 tp -79.59 138.34 37.41 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 117.553 -1.213 . . . . 0.0 110.112 -175.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . 1.335 ' O ' HG23 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -101.82 140.02 36.67 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 125.23 1.581 . . . . 0.0 110.022 -177.697 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.915 ' HA ' HG12 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -48.3 -42.09 29.97 Favored 'General case' 0 C--O 1.261 1.71 0 N-CA-C 120.769 3.618 . . . . 0.0 120.769 -175.724 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.17 -8.48 85.39 Favored Glycine 0 CA--C 1.493 -1.319 0 N-CA-C 116.0 1.16 . . . . 0.0 116.0 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . 0.469 ' O ' HG22 ' B' ' 23' ' ' ILE . 0.9 OUTLIER -85.63 165.36 17.08 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.133 -1.804 . . . . 0.0 107.973 176.394 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 23.5 p -104.47 164.57 11.65 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 177.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -36.4 79.62 Favored 'General case' 0 C--O 1.201 -1.459 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -63.7 -29.66 70.86 Favored 'General case' 0 C--O 1.267 1.982 0 C-N-CA 117.321 -1.752 . . . . 0.0 112.174 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -55.76 -38.99 70.57 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 122.562 1.172 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -91.11 4.48 52.07 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 117.537 -1.221 . . . . 0.0 112.873 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.94 45.43 18.22 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 121.758 2.072 . . . . 0.0 111.244 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 mm -88.8 116.25 30.11 Favored 'Isoleucine or valine' 0 C--O 1.27 2.157 0 CA-C-O 115.122 -2.371 . . . . 0.0 106.263 175.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.38 169.63 8.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 126.103 2.127 . . . . 0.0 109.673 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 142.87 28.42 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.102 1.429 . . . . 0.0 109.246 -176.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.05 19.17 10.54 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 117.834 2.531 . . . . 0.0 117.834 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' SER . . . . . 0.428 ' O ' ' CG1' ' B' ' 3' ' ' ILE . 1.9 t -71.2 159.66 34.25 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 174.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -119.1 126.61 52.04 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 118.21 -0.9 . . . . 0.0 108.828 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . 0.517 ' HG ' ' HA ' ' B' ' 5' ' ' VAL . 3.3 pp -103.16 154.54 19.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 114.737 -2.554 . . . . 0.0 105.702 175.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -105.56 135.91 46.11 Favored 'General case' 0 C--N 1.283 -2.291 0 O-C-N 127.608 3.067 . . . . 0.0 105.691 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.17 115.82 30.84 Favored 'General case' 0 C--O 1.284 2.884 0 CA-C-O 117.551 -1.214 . . . . 0.0 111.459 176.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 87.3 t -108.17 139.81 29.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.629 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -95.97 -83.51 0.37 Allowed 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.072 0.463 . . . . 0.0 109.814 178.374 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 45.1 ttp85 . . . . . 0 C--N 1.277 -2.574 0 CA-C-O 113.432 -3.175 . . . . 0.0 105.529 179.396 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.559 0.695 . . . . 0.0 110.708 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -89.12 137.93 31.88 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.589 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.19 -39.65 75.09 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.635 0.731 . . . . 0.0 111.8 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 t -144.36 136.02 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 107.47 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -144.26 148.08 34.4 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.557 165.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -161.03 155.22 22.87 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.243 0.964 . . . . 0.0 111.198 173.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.29 127.79 33.65 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.351 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.14 147.63 6.76 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.062 0.934 . . . . 0.0 110.098 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.92 164.82 25.21 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 108.301 -1.92 . . . . 0.0 108.301 175.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.08 -179.25 3.8 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' MET . . . . . 0.749 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.5 mpt? -137.12 161.02 37.26 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' SER . . . . . 0.408 ' O ' ' CG2' ' C' ' 39' ' ' THR . 0.5 OUTLIER -136.66 156.56 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.079 -1.448 . . . . 0.0 108.743 177.383 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.75 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.04 8.6 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -169.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.01 14.6 18.43 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.383 -0.409 . . . . 0.0 109.995 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 60.0 m -112.02 122.47 47.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 91.1 t -76.05 120.02 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' C' ' 32' ' ' SER . 1.2 t -124.09 119.29 26.55 Favored Pre-proline 0 C--O 1.245 0.852 0 C-N-CA 122.522 0.329 . . . . 0.0 110.193 -173.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . 0.749 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 31.8 Cg_exo -59.84 134.76 59.06 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 CA-C-O 122.348 0.895 . . . . 0.0 111.865 173.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -85.68 132.19 34.2 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 -11.26 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -172.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.97 144.41 56.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -173.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -68.18 125.58 26.84 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 171.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . 0.438 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.24 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.173 1.429 . . . . 0.0 115.377 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 14.5 tp -128.38 124.36 36.15 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 45.5 t -90.96 137.55 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 164.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -151.9 157.73 42.22 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.973 0.892 . . . . 0.0 113.015 175.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 5.5 mm -118.76 131.1 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.349 174.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -134.02 137.69 44.88 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -100.2 122.01 42.35 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 57.0 p -84.03 171.12 13.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.307 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.46 -10.55 59.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -82.63 7.36 14.92 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 121.275 -0.17 . . . . 0.0 110.981 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 33.9 t 73.87 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.417 1.487 . . . . 0.0 114.808 -177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 31.3 mt -74.96 150.02 39.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 119.172 -1.011 . . . . 0.0 113.048 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.25 129.1 54.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.145 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 7.3 m-70 -117.66 125.26 50.4 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -176.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -98.69 118.96 36.58 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 171.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 39.7 m -127.66 156.84 41.71 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.47 128.21 40.79 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.587 -1.642 . . . . 0.0 108.745 169.284 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.6 134.33 55.29 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.804 -176.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -74.18 115.27 13.48 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 173.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -63.94 -32.49 74.05 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 5.2 t -72.45 -46.17 56.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -175.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.43 -20.54 21.68 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.497 -176.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 2.6 60.85 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.668 -0.518 . . . . 0.0 113.677 -171.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.44 130.0 39.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.724 1.262 . . . . 0.0 113.194 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 17.6 t -84.18 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.45 -28.92 15.22 Favored 'General case' 0 C--O 1.206 -1.232 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.98 -171.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -121.95 135.54 54.87 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.778 0.799 . . . . 0.0 109.413 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.98 103.32 2.39 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 tp -118.04 123.28 45.28 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.287 -174.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.89 124.28 33.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.392 1.091 . . . . 0.0 111.715 168.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.99 130.31 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.401 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.635 -174.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' C' ' 79' ' ' ASP . 8.6 m-85 -101.26 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.321 1.013 . . . . 0.0 110.885 173.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.25 133.86 57.87 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.962 2.441 . . . . 0.0 111.31 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.55 6.74 5.86 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 -175.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . 0.599 ' O ' ' CD2' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -70.4 -33.63 71.6 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.975 0.807 . . . . 0.0 109.558 176.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 1.7 p -154.86 168.2 27.72 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.651 -173.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -133.43 139.34 46.67 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.534 -1.666 . . . . 0.0 106.998 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -106.75 124.14 49.18 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -148.5 156.47 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -67.75 142.81 56.14 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.416 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 73.6 t -94.22 98.43 2.91 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 171.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -61.12 -31.96 90.97 Favored 'Trans proline' 0 N--CA 1.476 0.478 0 N-CA-C 117.747 2.172 . . . . 0.0 117.747 -167.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -91.07 8.66 34.36 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.915 -1.514 . . . . 0.0 112.202 -164.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.14 119.63 72.64 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 174.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.91 -19.88 33.85 Favored 'Trans proline' 0 C--N 1.347 0.462 0 O-C-N 123.005 1.003 . . . . 0.0 114.456 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -34.66 78.79 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.378 0.535 . . . . 0.0 110.071 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.04 64.87 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.528 -172.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -120.99 17.08 11.72 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 70.1 t -97.05 133.38 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 173.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -124.97 151.79 45.03 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.463 1.727 . . . . 0.0 110.398 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 1.6 m -127.02 135.44 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 tt -95.47 108.08 20.28 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 169.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.17 125.16 51.91 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -171.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.777 ' CD1' ' O ' ' C' ' 100' ' ' ALA . 11.8 t80 -84.85 115.66 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.154 0.909 . . . . 0.0 109.209 176.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -63.43 -25.07 68.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.432 -169.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . 0.777 ' O ' ' CD1' ' C' ' 98' ' ' PHE . . . -111.33 115.13 28.78 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.92 172.39 27.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -91.38 9.08 33.13 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.026 -0.69 . . . . 0.0 110.551 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -70.66 129.17 38.47 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 117.935 -1.506 . . . . 0.0 110.56 -165.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.73 46.17 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.938 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -124.5 126.21 45.49 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . 0.439 ' C ' ' SD ' ' C' ' 31' ' ' MET . 2.2 m-85 -100.94 143.68 30.79 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 124.698 1.249 . . . . 0.0 110.281 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -137.09 156.68 48.08 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.27 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.48 126.53 35.24 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.408 175.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.6 137.74 58.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.272 -174.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -118.89 3.99 11.51 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.256 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.19 135.87 93.69 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.117 1.436 . . . . 0.0 108.703 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.32 -41.34 42.48 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.561 -1.16 . . . . 0.0 112.44 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.11 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.7 t -83.39 -9.31 59.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.216 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -33.81 55.9 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -103.24 5.82 37.8 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -174.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -56.8 -48.86 76.99 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.309 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -32.27 70.71 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.556 -173.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -44.08 80.3 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 175.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -55.58 -45.88 77.31 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.025 -1.047 . . . . 0.0 112.355 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -43.04 97.8 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.677 0.751 . . . . 0.0 110.352 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -43.44 98.84 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.086 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -64.23 -42.37 96.59 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 40.9 t -52.23 -51.9 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.452 175.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -60.41 -39.5 87.62 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -46.1 81.94 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.437 -178.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -78.95 -24.45 43.91 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.495 -0.882 . . . . 0.0 112.44 -174.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.0 -36.18 41.67 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 119.796 -0.761 . . . . 0.0 112.243 174.429 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . 0.496 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 38.1 t30 -110.71 -11.12 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -168.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -141.23 71.92 27.1 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 169.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -78.98 167.88 21.44 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.677 1.585 . . . . 0.0 111.631 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 C--N 1.291 -2.489 0 C-N-CA 122.498 2.132 . . . . 0.0 111.608 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.7 mmt . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -91.12 138.22 31.77 Favored 'General case' 0 C--O 1.264 1.846 0 O-C-N 126.775 2.547 . . . . 0.0 108.865 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -131.25 163.05 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.361 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.98 140.22 49.47 Favored 'General case' 0 N--CA 1.513 2.697 1 O-C-N 130.564 4.915 . . . . 0.0 108.75 179.688 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -118.09 114.21 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-O 113.35 -3.214 . . . . 0.0 105.61 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -95.11 127.55 41.26 Favored 'General case' 0 N--CA 1.506 2.369 1 O-C-N 129.408 4.192 . . . . 0.0 107.906 -178.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -99.61 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.369 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.31 -7.04 49.87 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 124.144 0.902 . . . . 0.0 112.701 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -101.54 15.05 30.1 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.654 -2.418 . . . . 0.0 111.998 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 16.81 80.16 Favored Glycine 0 C--N 1.296 -1.647 0 O-C-N 120.35 -1.469 . . . . 0.0 116.081 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 138.1 34.6 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 174.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.99 131.58 55.2 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 126.652 2.47 . . . . 0.0 105.907 176.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.5 142.03 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 127.653 3.096 . . . . 0.0 108.911 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -101.41 139.74 36.66 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 117.157 -1.817 . . . . 0.0 108.188 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.49 154.03 44.32 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 115.408 -2.234 . . . . 0.0 108.245 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -111.82 120.97 43.76 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.28 4.112 . . . . 0.0 103.781 173.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.9 170.69 15.91 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 O-C-N 127.634 3.083 . . . . 0.0 111.111 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -119.98 144.43 37.51 Favored Pre-proline 0 C--N 1.314 -0.944 0 CA-C-N 112.317 -2.22 . . . . 0.0 106.328 174.717 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 54.8 Cg_exo -55.0 -24.28 39.0 Favored 'Trans proline' 0 C--N 1.32 -0.974 0 C-N-CA 122.537 2.158 . . . . 0.0 111.973 177.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -80.04 -8.17 59.23 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.925 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.09 148.5 47.42 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 117.392 -1.723 . . . . 0.0 109.722 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.73 160.48 21.27 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.81 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 1.27 HG23 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.43 -37.13 77.02 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 O-C-N 127.172 2.795 . . . . 0.0 110.272 175.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -40.19 78.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.363 -0.835 . . . . 0.0 110.706 177.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.29 -41.92 80.24 Favored 'General case' 0 C--O 1.262 1.762 0 O-C-N 121.809 -0.557 . . . . 0.0 110.949 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.27 -46.39 88.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 O-C-N 124.425 1.078 . . . . 0.0 109.173 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.818 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 19.4 mtmt -60.92 -37.96 84.11 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 118.806 -0.616 . . . . 0.0 110.577 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.598 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.08 -38.17 87.61 Favored 'General case' 0 C--O 1.276 2.499 0 CA-C-N 118.227 0.467 . . . . 0.0 111.125 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -37.48 87.58 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 120.438 -1.414 . . . . 0.0 110.676 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.6 mm -69.96 -39.56 77.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.13 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 1.193 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -62.25 -48.68 78.86 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 125.498 2.57 . . . . 0.0 109.101 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -41.78 65.92 Favored 'General case' 0 C--O 1.254 1.302 0 CA-C-N 113.491 -1.686 . . . . 0.0 111.891 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -93.59 -24.21 18.02 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 -175.803 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -123.47 -6.41 8.15 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 123.147 2.703 . . . . 0.0 114.241 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.7 89.97 Favored Glycine 0 CA--C 1.478 -2.27 0 N-CA-C 118.899 2.32 . . . . 0.0 118.899 176.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 1.193 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 16.8 mm -79.78 124.76 83.27 Favored Pre-proline 0 C--O 1.244 0.807 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.97 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.8 Cg_exo -56.94 136.84 79.0 Favored 'Trans proline' 0 C--O 1.258 1.513 0 C-N-CA 123.287 2.658 . . . . 0.0 110.863 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.779 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 27.2 Cg_exo -57.13 -31.94 91.91 Favored 'Trans proline' 0 C--O 1.262 1.724 0 O-C-N 122.993 0.996 . . . . 0.0 113.676 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.53 -15.29 63.49 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 119.959 -1.713 . . . . 0.0 112.226 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.93 -10.37 28.89 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.674 -1.266 . . . . 0.0 112.059 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -84.81 129.55 34.8 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 124.378 2.037 . . . . 0.0 115.711 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -120.97 116.1 24.44 Favored 'General case' 0 C--O 1.3 3.717 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 171.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.51 130.2 50.85 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 119.496 1.043 . . . . 0.0 109.908 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.61 ' O ' HG13 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -122.04 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 O-C-N 125.199 1.562 . . . . 0.0 111.861 -177.532 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -144.43 129.62 18.68 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.06 19.51 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 112.2 -2.273 . . . . 0.0 110.778 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.66 61.0 Favored Glycine 0 N--CA 1.432 -1.591 0 C-N-CA 128.596 2.998 . . . . 0.0 117.462 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -115.02 142.76 46.19 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.78 130.35 34.58 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 103.771 -2.677 . . . . 0.0 103.771 174.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.63 138.13 37.32 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.118 -175.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 1.27 ' O ' HG23 ' A' ' 23' ' ' ILE . 33.9 mm-40 -101.77 140.08 36.53 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 125.158 1.536 . . . . 0.0 110.017 -177.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.702 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -47.93 -42.57 27.6 Favored 'General case' 0 C--O 1.264 1.831 0 N-CA-C 120.792 3.627 . . . . 0.0 120.792 -175.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.55 -8.92 85.48 Favored Glycine 0 CA--C 1.489 -1.56 0 N-CA-C 116.272 1.269 . . . . 0.0 116.272 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.455 ' O ' HG22 ' A' ' 23' ' ' ILE . 2.6 mmt85 -85.45 165.34 17.25 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 119.817 -1.99 . . . . 0.0 108.08 176.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -104.5 164.84 11.46 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 177.093 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.61 -36.01 79.51 Favored 'General case' 0 C--O 1.202 -1.396 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 177.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -29.52 70.66 Favored 'General case' 0 C--O 1.268 2.055 0 C-N-CA 117.375 -1.73 . . . . 0.0 112.225 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.6 -39.46 70.78 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 122.42 1.105 . . . . 0.0 110.686 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 60' ' ' ASN . 34.1 m-85 -90.84 4.65 51.2 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 117.662 -1.161 . . . . 0.0 112.939 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.531 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 11.8 p30 58.18 45.06 18.04 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 121.701 2.046 . . . . 0.0 111.226 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -88.61 116.52 30.47 Favored 'Isoleucine or valine' 0 C--O 1.266 1.925 0 CA-C-O 115.221 -2.323 . . . . 0.0 106.178 175.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -103.59 169.66 8.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 126.012 2.07 . . . . 0.0 109.318 -176.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -54.87 142.89 27.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 123.259 1.504 . . . . 0.0 109.018 -176.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 67.06 19.21 10.52 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.7 p -71.18 159.5 34.55 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 174.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.13 126.76 52.38 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 118.209 -0.901 . . . . 0.0 108.865 175.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 mt -103.19 154.57 19.19 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 114.771 -2.538 . . . . 0.0 105.598 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -105.7 135.58 46.87 Favored 'General case' 0 C--N 1.287 -2.149 0 O-C-N 127.418 2.949 . . . . 0.0 105.815 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -106.8 115.81 30.84 Favored 'General case' 0 C--O 1.285 2.963 0 CA-C-O 117.64 -1.172 . . . . 0.0 111.518 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.5 p -108.01 139.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 N-CA-C 103.58 -2.748 . . . . 0.0 103.58 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 71' ' ' LEU . 1.2 mm? -96.08 138.98 32.92 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.184 0.516 . . . . 0.0 109.86 178.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.538 0 CA-C-O 113.167 -3.302 . . . . 0.0 105.585 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.946 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -90.88 138.47 31.57 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 127.192 2.808 . . . . 0.0 108.774 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.09 163.09 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 CA-C-O 115.757 -2.068 . . . . 0.0 105.936 173.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -116.06 140.19 49.52 Favored 'General case' 0 N--CA 1.514 2.767 1 O-C-N 130.609 4.943 . . . . 0.0 108.564 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -117.91 114.13 44.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-O 113.337 -3.22 . . . . 0.0 105.786 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.12 127.56 41.27 Favored 'General case' 0 N--CA 1.502 2.157 1 O-C-N 129.241 4.088 . . . . 0.0 108.176 -178.106 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.8 m -99.59 170.81 8.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.779 -1.105 . . . . 0.0 109.286 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -6.97 49.56 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 124.159 0.912 . . . . 0.0 112.888 -178.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.22 14.82 30.76 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 115.652 -2.419 . . . . 0.0 112.038 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.73 80.07 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 120.285 -1.509 . . . . 0.0 116.045 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 137.87 34.76 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 174.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -119.9 131.87 55.37 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 126.423 2.327 . . . . 0.0 106.167 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -109.47 141.85 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 127.827 3.204 . . . . 0.0 109.14 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.9 t -101.23 139.89 36.29 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 117.017 -1.873 . . . . 0.0 108.364 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.5 mt -126.45 154.11 44.14 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.469 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.89 121.22 44.45 Favored 'General case' 0 N--CA 1.496 1.857 1 O-C-N 129.15 4.031 . . . . 0.0 103.47 174.052 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.12 170.62 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.201 0 O-C-N 127.767 3.167 . . . . 0.0 111.192 -177.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.12 144.62 38.17 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 112.051 -2.34 . . . . 0.0 106.297 174.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -54.9 -24.66 40.03 Favored 'Trans proline' 0 C--N 1.318 -1.053 0 C-N-CA 122.61 2.206 . . . . 0.0 111.618 177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 43.4 t -79.96 -8.21 59.21 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.878 -177.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.0 148.49 47.58 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 117.284 -1.766 . . . . 0.0 109.833 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.86 160.48 21.14 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 21.6 mm -61.42 -36.7 74.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 O-C-N 127.072 2.733 . . . . 0.0 110.446 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.2 -42.92 77.93 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 120.436 -1.415 . . . . 0.0 110.979 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.37 -44.54 91.06 Favored 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.304 1.042 . . . . 0.0 111.42 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.62 -46.27 90.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.903 1.377 . . . . 0.0 108.982 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -60.83 -37.95 83.79 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.858 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.02 86.97 Favored 'General case' 0 C--O 1.278 2.573 0 O-C-N 123.384 0.428 . . . . 0.0 111.31 176.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -64.14 -37.35 87.15 Favored 'General case' 0 C--O 1.254 1.29 0 O-C-N 120.428 -1.42 . . . . 0.0 110.802 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -39.77 78.3 Favored 'Isoleucine or valine' 0 C--O 1.255 1.361 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.91 -48.79 78.89 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 125.542 2.591 . . . . 0.0 109.1 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.45 -41.72 66.41 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.919 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -93.34 -24.45 18.11 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -175.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -123.66 -6.29 8.05 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 122.879 2.581 . . . . 0.0 113.778 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.05 5.54 90.06 Favored Glycine 0 CA--C 1.475 -2.459 0 N-CA-C 118.757 2.263 . . . . 0.0 118.757 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -79.95 125.06 82.71 Favored Pre-proline 0 C--O 1.242 0.673 0 C-N-CA 118.694 -1.202 . . . . 0.0 111.012 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -57.06 137.03 80.12 Favored 'Trans proline' 0 C--O 1.256 1.392 0 C-N-CA 123.02 2.48 . . . . 0.0 110.835 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -57.29 -32.2 93.05 Favored 'Trans proline' 0 C--O 1.261 1.658 0 O-C-N 122.999 0.999 . . . . 0.0 113.348 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.32 -15.6 63.62 Favored 'General case' 0 C--O 1.263 1.816 0 O-C-N 120.045 -1.66 . . . . 0.0 112.23 -177.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.657 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 71.2 mt-30 -95.35 -10.65 29.49 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.443 -1.41 . . . . 0.0 112.327 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -84.91 129.57 34.78 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 124.302 2.001 . . . . 0.0 115.688 -177.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -121.12 116.15 24.45 Favored 'General case' 0 C--O 1.298 3.613 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 172.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -103.57 130.22 50.95 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 119.513 1.051 . . . . 0.0 109.964 -177.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mt -122.03 131.58 72.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 125.065 1.478 . . . . 0.0 112.018 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.16 129.8 19.15 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 177.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.99 19.54 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 112.051 -2.341 . . . . 0.0 110.69 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.12 59.54 Favored Glycine 0 C--N 1.298 -1.539 0 C-N-CA 128.202 2.811 . . . . 0.0 117.358 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.79 143.82 39.09 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 115.342 -2.266 . . . . 0.0 110.946 174.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . 0.539 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -87.11 130.24 34.59 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 173.294 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -79.58 138.43 37.45 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 117.603 -1.189 . . . . 0.0 110.068 -175.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.91 139.99 36.79 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 125.198 1.562 . . . . 0.0 109.903 -177.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -48.22 -42.05 29.06 Favored 'General case' 0 C--O 1.261 1.685 0 N-CA-C 120.815 3.635 . . . . 0.0 120.815 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.45 85.29 Favored Glycine 0 CA--C 1.493 -1.304 0 N-CA-C 116.036 1.174 . . . . 0.0 116.036 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -85.65 165.4 17.03 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 120.176 -1.779 . . . . 0.0 107.967 176.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 30.3 p -104.43 164.41 11.76 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.93 -36.44 79.33 Favored 'General case' 0 C--O 1.2 -1.542 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 8.3 p -63.66 -29.7 70.9 Favored 'General case' 0 C--O 1.266 1.963 0 C-N-CA 117.285 -1.766 . . . . 0.0 112.297 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.66 -39.12 70.48 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 122.513 1.149 . . . . 0.0 110.798 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' B' ' 60' ' ' ASN . 61.7 m-85 -91.0 4.45 52.03 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 117.539 -1.22 . . . . 0.0 112.881 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.523 ' CG ' ' O ' ' B' ' 59' ' ' TYR . 11.9 p30 57.87 45.52 18.31 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 121.708 2.049 . . . . 0.0 111.305 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 6.7 mt -88.87 116.27 30.18 Favored 'Isoleucine or valine' 0 C--O 1.27 2.172 0 CA-C-O 115.05 -2.405 . . . . 0.0 106.189 175.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.41 169.57 8.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 126.153 2.158 . . . . 0.0 109.673 -176.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.91 142.96 27.63 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 123.175 1.464 . . . . 0.0 109.232 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 66.94 19.2 10.63 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 117.822 2.527 . . . . 0.0 117.822 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -71.09 159.55 34.5 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.9 t -119.01 126.54 51.97 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-O 118.238 -0.887 . . . . 0.0 108.842 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -103.1 154.6 19.11 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.611 -2.614 . . . . 0.0 105.763 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.56 135.89 46.14 Favored 'General case' 0 C--N 1.283 -2.309 0 O-C-N 127.564 3.04 . . . . 0.0 105.693 177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tt -107.17 115.79 30.8 Favored 'General case' 0 C--O 1.284 2.898 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.341 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -108.1 140.0 28.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 103.468 -2.79 . . . . 0.0 103.468 175.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' LEU . . . . . 0.657 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.16 -83.35 0.37 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.035 0.445 . . . . 0.0 109.802 178.395 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' ARG . . . . . 0.577 ' HB3' ' HA2' ' C' ' 101' ' ' GLY . 14.9 tpp180 . . . . . 0 C--N 1.277 -2.572 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.513 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.643 0.735 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.03 137.83 31.96 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.583 -178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.12 -39.61 75.34 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.922 172.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 97.2 t -144.38 136.08 21.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.203 1.401 . . . . 0.0 107.457 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -144.3 148.06 34.32 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.573 165.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -160.98 155.19 22.95 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.172 0.92 . . . . 0.0 111.198 173.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.23 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.331 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.14 147.71 6.79 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.023 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.96 164.89 25.21 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.235 -1.946 . . . . 0.0 108.235 175.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 -179.24 3.78 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 7.8 mtt -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.62 156.49 48.48 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.098 -1.441 . . . . 0.0 108.704 177.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' LEU . . . . . 0.719 HD11 ' O ' ' C' ' 33' ' ' LEU . 0.0 OUTLIER -92.67 116.17 28.77 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 177.242 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 115.84 29.37 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.09 8.66 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -113.95 14.57 18.49 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.331 -0.434 . . . . 0.0 109.981 178.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 75.3 m -112.04 122.51 47.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -76.14 120.02 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.1 119.35 26.53 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.231 -173.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.86 134.86 59.62 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.924 -0.917 . . . . 0.0 111.827 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -85.76 132.19 34.18 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 172.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -11.2 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.13 144.45 56.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 -173.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 125.6 26.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' GLY . . . . . 0.407 ' HA3' ' HE1' ' C' ' 61' ' ' TRP . . . -132.37 171.22 21.6 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.204 1.447 . . . . 0.0 115.321 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tp -128.39 124.4 36.24 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -90.97 137.51 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 164.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -151.85 157.83 42.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.963 0.887 . . . . 0.0 112.999 175.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 9.9 mt -118.81 131.09 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.567 -1.651 . . . . 0.0 108.325 174.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.58 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.12 122.08 42.42 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 170.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -84.05 171.08 13.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.298 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -10.47 59.82 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 119.641 -0.824 . . . . 0.0 113.198 -170.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -82.65 7.41 14.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.017 171.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.9 -1.33 3.1 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.49 1.516 . . . . 0.0 114.665 -177.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.82 149.91 39.46 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 122.18 0.991 . . . . 0.0 113.111 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 19.4 mm -102.29 129.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.143 -177.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 1.5 m80 -117.48 125.27 50.62 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -176.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -98.79 118.98 36.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 19.1 m -127.65 156.84 41.7 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -171.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 61' ' ' TRP . . . . . 0.407 ' HE1' ' HA3' ' C' ' 45' ' ' GLY . 67.0 t90 -130.43 128.26 40.95 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.755 169.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.68 134.28 55.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.11 -1.405 . . . . 0.0 109.773 -176.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.21 115.3 13.55 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -32.39 73.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.51 -46.08 56.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -175.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -20.4 21.75 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.551 -176.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.51 2.67 60.52 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.743 -0.476 . . . . 0.0 113.748 -171.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -72.44 129.99 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.711 1.256 . . . . 0.0 113.195 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.17 109.16 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -94.5 -28.84 15.24 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.999 -171.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -121.99 135.63 54.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.82 0.819 . . . . 0.0 109.383 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.1 103.22 2.36 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 -178.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.0 123.24 45.23 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.304 -174.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 3.5 mm -75.77 124.24 33.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.39 1.091 . . . . 0.0 111.729 168.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 24.8 mm -122.94 130.3 74.56 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.386 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.669 -174.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 76' ' ' PHE . . . . . 0.421 ' CZ ' ' O ' ' C' ' 77' ' ' PRO . 0.0 OUTLIER -101.25 158.94 30.84 Favored Pre-proline 0 C--O 1.24 0.576 0 O-C-N 124.376 1.048 . . . . 0.0 110.885 173.695 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 77' ' ' PRO . . . . . 0.421 ' O ' ' CZ ' ' C' ' 76' ' ' PHE . 52.1 Cg_exo -54.28 133.88 58.04 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.319 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.53 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -33.48 71.3 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.01 0.823 . . . . 0.0 109.584 176.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 80' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' C' ' 98' ' ' PHE . 18.1 p -154.97 168.1 28.1 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.582 -173.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -133.38 139.33 46.72 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 113.473 -1.694 . . . . 0.0 107.009 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 82' ' ' PHE . . . . . 0.405 ' CD2' ' OH ' ' C' ' 94' ' ' TYR . 2.6 m-85 -106.78 124.24 49.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -148.56 156.47 42.48 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -177.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -67.79 142.73 56.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 70.0 t -94.19 98.36 2.85 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 171.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.02 -31.88 91.67 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 N-CA-C 117.809 2.196 . . . . 0.0 117.809 -167.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.15 8.59 34.93 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 117.983 -1.487 . . . . 0.0 112.207 -164.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 17.0 m -85.01 119.65 72.77 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -56.85 -19.98 33.92 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 122.99 0.995 . . . . 0.0 114.467 -173.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -34.57 78.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.347 0.521 . . . . 0.0 110.062 178.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 13.04 64.8 Favored Glycine 0 CA--C 1.505 -0.549 0 O-C-N 123.963 0.789 . . . . 0.0 111.528 -172.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -120.99 17.07 11.72 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.04 133.4 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 94' ' ' TYR . . . . . 0.75 ' CD2' ' HB2' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -124.98 151.83 44.99 Favored 'General case' 0 CA--C 1.501 -0.941 0 O-C-N 125.467 1.729 . . . . 0.0 110.479 178.615 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 95' ' ' VAL . . . . . 0.561 ' N ' ' CD1' ' C' ' 94' ' ' TYR . 2.6 p -127.02 135.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 96' ' ' LEU . . . . . 0.543 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 0.0 OUTLIER -95.5 108.14 20.35 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 169.083 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -109.25 125.13 51.94 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -171.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 98' ' ' PHE . . . . . 0.438 ' CD1' ' HB3' ' C' ' 80' ' ' CYS . 6.5 m-30 -84.74 115.58 22.78 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.071 0.857 . . . . 0.0 109.226 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 99' ' ' LYS . . . . . 0.539 ' HA ' ' HB2' ' B' ' 49' ' ' GLN . 3.0 ttpp -63.37 -25.13 68.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.397 -169.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.32 115.16 28.83 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 173.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 101' ' ' GLY . . . . . 0.577 ' HA2' ' HB3' ' B' ' 72' ' ' ARG . . . 101.92 172.37 27.7 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 42.2 p -91.35 9.09 33.05 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.058 -0.672 . . . . 0.0 110.601 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 129.2 38.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.897 -1.521 . . . . 0.0 110.602 -165.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.72 46.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.967 175.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -124.51 126.24 45.53 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -100.9 143.63 30.81 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 124.698 1.249 . . . . 0.0 110.256 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 107' ' ' PHE . . . . . 0.75 ' HB2' ' CD2' ' C' ' 94' ' ' TYR . 8.1 m-85 -137.09 156.66 48.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.234 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -131.47 126.61 35.47 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.397 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.69 137.77 58.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.257 -174.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -118.82 3.93 11.56 Favored 'General case' 0 N--CA 1.428 -1.534 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.31 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.31 135.95 93.92 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.107 1.432 . . . . 0.0 108.685 172.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.25 -41.39 42.63 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.08 146.93 24.23 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.487 173.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.2 m -83.37 -9.3 59.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.221 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -33.77 56.17 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -169.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -103.23 5.83 37.84 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.307 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.29 70.64 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.527 -173.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -44.06 80.35 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.833 0.349 . . . . 0.0 110.882 175.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -55.65 -45.84 77.58 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.069 -1.02 . . . . 0.0 112.299 173.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 121' ' ' CYS . . . . . 0.806 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 0.5 OUTLIER -60.59 -43.07 97.81 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.677 0.751 . . . . 0.0 110.352 178.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -43.38 98.96 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.124 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -64.23 -42.38 96.57 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 124' ' ' VAL . . . . . 0.806 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 6.3 m -52.22 -51.94 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.422 175.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -60.33 -39.52 87.37 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.22 -46.05 82.24 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 120.827 0.346 . . . . 0.0 111.502 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -79.04 -24.37 43.64 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.44 -0.904 . . . . 0.0 112.4 -174.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 128' ' ' LEU . . . . . 0.502 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.14 -36.03 41.16 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.774 -0.77 . . . . 0.0 112.247 174.468 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 129' ' ' ASN . . . . . 0.502 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 28.4 t-20 -110.75 -11.17 14.42 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -168.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -141.16 71.85 27.47 Favored Pre-proline 0 N--CA 1.467 0.401 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 169.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.67 170.7 17.81 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.661 1.574 . . . . 0.0 111.641 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo . . . . . 0 C--N 1.289 -2.553 0 C-N-CA 122.442 2.095 . . . . 0.0 111.617 179.795 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtt . . . . . 0 CA--C 1.549 0.941 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -91.12 138.28 31.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 126.86 2.6 . . . . 0.0 108.852 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.23 162.99 38.27 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 173.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.96 140.17 49.52 Favored 'General case' 0 N--CA 1.514 2.749 1 O-C-N 130.524 4.89 . . . . 0.0 108.778 179.575 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.05 114.26 44.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 CA-C-O 113.402 -3.189 . . . . 0.0 105.602 175.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 127.52 41.33 Favored 'General case' 0 N--CA 1.507 2.397 1 O-C-N 129.429 4.205 . . . . 0.0 107.933 -178.156 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.3 p -99.57 170.72 8.4 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.86 -1.067 . . . . 0.0 109.381 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.29 -7.02 49.78 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.079 0.862 . . . . 0.0 112.688 -177.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.57 15.1 29.95 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.616 -2.434 . . . . 0.0 111.976 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.68 80.19 Favored Glycine 0 C--N 1.298 -1.575 0 O-C-N 120.187 -1.571 . . . . 0.0 116.101 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -96.48 138.13 34.52 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 p -119.97 131.64 55.24 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.62 2.45 . . . . 0.0 105.937 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 pt -109.58 141.92 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 127.706 3.129 . . . . 0.0 108.909 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.9 t -101.38 139.66 36.73 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.23 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.6 mt -126.37 154.01 44.15 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 115.351 -2.261 . . . . 0.0 108.43 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -111.83 121.0 43.88 Favored 'General case' 0 N--CA 1.499 2.019 1 O-C-N 129.283 4.114 . . . . 0.0 103.642 173.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 t -138.91 170.61 16.02 Favored 'Isoleucine or valine' 0 C--O 1.255 1.367 0 O-C-N 127.537 3.023 . . . . 0.0 111.195 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.95 144.5 37.63 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 112.354 -2.203 . . . . 0.0 106.36 174.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -54.96 -24.35 39.06 Favored 'Trans proline' 0 C--N 1.321 -0.911 0 C-N-CA 122.423 2.082 . . . . 0.0 112.015 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -8.13 59.2 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.903 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -70.99 148.39 47.69 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 117.503 -1.679 . . . . 0.0 109.814 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.73 160.56 21.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 175.779 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.492 HG21 HD11 ' A' ' 50' ' ' LEU . 1.6 mp -61.55 -37.03 76.91 Favored 'Isoleucine or valine' 0 C--O 1.246 0.884 0 O-C-N 127.304 2.877 . . . . 0.0 110.258 175.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 1.025 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.51 -40.26 78.3 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.229 -0.919 . . . . 0.0 110.792 176.939 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.21 -41.97 80.54 Favored 'General case' 0 C--O 1.263 1.77 0 O-C-N 121.801 -0.562 . . . . 0.0 110.953 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.4 t -58.27 -46.44 88.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 O-C-N 124.4 1.063 . . . . 0.0 109.159 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 1.025 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 15.3 pttp -60.77 -37.91 83.46 Favored 'General case' 0 C--O 1.26 1.623 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.76 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' A' ' 27' ' ' LYS . . . -66.21 -38.02 86.98 Favored 'General case' 0 C--O 1.277 2.501 0 CA-C-N 118.178 0.445 . . . . 0.0 111.184 176.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -37.44 87.48 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 120.441 -1.412 . . . . 0.0 110.697 176.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.8 mt -69.98 -39.59 77.62 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.21 -48.67 78.98 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.538 2.589 . . . . 0.0 109.138 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -41.73 65.92 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.455 -1.702 . . . . 0.0 111.931 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 0.1 OUTLIER -93.56 -24.29 18.01 Favored 'General case' 0 C--O 1.28 2.703 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -175.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -123.37 -6.38 8.21 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 123.053 2.661 . . . . 0.0 114.245 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.97 5.68 89.98 Favored Glycine 0 CA--C 1.477 -2.324 0 N-CA-C 118.955 2.342 . . . . 0.0 118.955 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 22.6 mm -79.8 124.73 83.25 Favored Pre-proline 0 C--O 1.243 0.758 0 C-N-CA 118.909 -1.117 . . . . 0.0 110.954 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.1 Cg_exo -56.91 136.8 78.68 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.293 2.662 . . . . 0.0 110.85 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.551 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 53.4 Cg_exo -57.18 -31.89 91.87 Favored 'Trans proline' 0 C--O 1.262 1.7 0 O-C-N 123.023 1.012 . . . . 0.0 113.634 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.52 -15.36 63.51 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 119.939 -1.726 . . . . 0.0 112.161 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.94 -10.3 29.05 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.718 -1.239 . . . . 0.0 112.11 178.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.86 129.68 34.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 124.417 2.056 . . . . 0.0 115.73 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.1 116.11 24.38 Favored 'General case' 0 C--O 1.299 3.677 0 N-CA-C 104.905 -2.258 . . . . 0.0 104.905 171.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.574 ' CB ' ' HG ' ' A' ' 50' ' ' LEU . 2.8 mm? -103.53 130.19 50.88 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 119.476 1.034 . . . . 0.0 109.921 -177.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 42.4 mm -122.02 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 O-C-N 125.1 1.5 . . . . 0.0 111.919 -177.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -144.39 129.53 18.63 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 46.15 19.72 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.719 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' C' ' 74' ' ' ILE . . . 61.55 21.75 60.72 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 128.703 3.049 . . . . 0.0 117.488 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -115.03 142.82 46.12 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -85.83 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.528 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 174.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.813 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -79.52 138.18 37.43 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 117.651 -1.166 . . . . 0.0 110.175 -175.904 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -101.87 140.07 36.65 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 125.041 1.463 . . . . 0.0 109.942 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -47.91 -42.54 27.38 Favored 'General case' 0 C--O 1.264 1.824 0 N-CA-C 120.775 3.621 . . . . 0.0 120.775 -175.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 -8.85 85.51 Favored Glycine 0 CA--C 1.49 -1.502 0 N-CA-C 116.276 1.271 . . . . 0.0 116.276 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -85.42 165.41 17.22 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 119.761 -2.023 . . . . 0.0 108.024 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 25.5 p -104.52 164.8 11.49 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.57 -35.99 79.38 Favored 'General case' 0 C--O 1.201 -1.448 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.7 t -64.22 -29.44 70.55 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 117.287 -1.765 . . . . 0.0 112.206 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.53 -39.56 70.7 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 122.39 1.09 . . . . 0.0 110.619 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -90.85 4.69 51.1 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 117.694 -1.145 . . . . 0.0 112.999 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.8 t30 58.15 45.21 17.9 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 121.574 1.988 . . . . 0.0 111.146 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.7 mt -88.78 116.43 30.39 Favored 'Isoleucine or valine' 0 C--O 1.266 1.958 0 CA-C-O 115.196 -2.335 . . . . 0.0 106.156 175.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.45 169.71 8.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 126.034 2.084 . . . . 0.0 109.379 -176.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.9 142.91 27.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.253 1.502 . . . . 0.0 109.077 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.1 19.22 10.48 Favored 'General case' 0 C--O 1.254 1.329 0 N-CA-C 117.912 2.56 . . . . 0.0 117.912 179.271 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -71.26 159.61 34.3 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.21 126.82 52.44 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 118.149 -0.929 . . . . 0.0 108.79 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 mt -103.15 154.54 19.2 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.763 -2.541 . . . . 0.0 105.624 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.804 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -105.66 135.68 46.63 Favored 'General case' 0 C--N 1.287 -2.13 0 O-C-N 127.42 2.95 . . . . 0.0 105.941 177.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -106.97 115.84 30.88 Favored 'General case' 0 C--O 1.284 2.872 0 CA-C-O 117.62 -1.181 . . . . 0.0 111.384 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.0 139.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 N-CA-C 103.654 -2.721 . . . . 0.0 103.654 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.1 138.85 33.12 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.199 0.523 . . . . 0.0 109.864 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 125.98 26.39 Favored 'General case' 0 C--N 1.278 -2.512 0 CA-C-O 113.14 -3.315 . . . . 0.0 105.558 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tt 68.38 88.63 0.11 Allowed 'General case' 0 C--N 1.29 -2.015 0 O-C-N 125.939 2.024 . . . . 0.0 109.563 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.04 131.37 50.07 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.857 -179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.18 172.87 20.76 Favored Glycine 0 C--O 1.246 0.905 0 CA-C-N 114.541 -1.209 . . . . 0.0 115.145 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.452 0 N-CA-C 108.276 -1.93 . . . . 0.0 108.276 179.555 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.6 ptp . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -90.96 138.51 31.55 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 127.142 2.777 . . . . 0.0 108.731 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -131.2 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 CA-C-O 115.816 -2.04 . . . . 0.0 105.902 173.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -116.0 140.18 49.52 Favored 'General case' 0 N--CA 1.514 2.761 1 O-C-N 130.573 4.921 . . . . 0.0 108.595 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.92 114.18 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-O 113.444 -3.17 . . . . 0.0 105.776 175.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.2 127.59 41.37 Favored 'General case' 0 N--CA 1.502 2.156 1 O-C-N 129.162 4.039 . . . . 0.0 108.131 -178.1 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.9 p -99.58 170.82 8.32 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.297 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -7.01 49.76 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 124.105 0.878 . . . . 0.0 112.879 -178.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.4 t -101.14 14.73 31.04 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 115.661 -2.415 . . . . 0.0 112.009 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.67 80.05 Favored Glycine 0 C--N 1.295 -1.704 0 O-C-N 120.162 -1.586 . . . . 0.0 116.034 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.27 137.92 34.64 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 174.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.89 131.88 55.38 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 126.401 2.313 . . . . 0.0 106.174 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.51 141.8 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 127.746 3.154 . . . . 0.0 109.099 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -101.25 139.9 36.29 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 116.933 -1.907 . . . . 0.0 108.404 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt -126.52 154.01 44.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.494 -2.193 . . . . 0.0 108.437 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.8 121.11 44.18 Favored 'General case' 0 N--CA 1.497 1.91 1 O-C-N 129.283 4.114 . . . . 0.0 103.52 174.103 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 m -139.02 170.63 15.88 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 O-C-N 127.798 3.186 . . . . 0.0 111.272 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' B' ' 19' ' ' PRO . 6.0 mm-40 -120.04 144.65 38.09 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.314 174.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' B' ' 18' ' ' GLU . 77.7 Cg_exo -55.03 -24.63 40.9 Favored 'Trans proline' 0 C--N 1.317 -1.097 0 C-N-CA 122.627 2.218 . . . . 0.0 111.515 178.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -8.2 59.18 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.878 -177.309 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.97 148.61 47.5 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 117.31 -1.756 . . . . 0.0 109.742 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.2 p -83.97 160.49 21.03 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 175.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 20.7 mm -61.46 -36.66 74.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 126.921 2.638 . . . . 0.0 110.449 175.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.761 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.19 -42.98 78.0 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 120.363 -1.461 . . . . 0.0 110.969 176.287 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -64.3 -44.62 91.07 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 124.264 1.025 . . . . 0.0 111.436 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.3 t -58.59 -46.25 90.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 O-C-N 124.886 1.366 . . . . 0.0 108.994 178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.476 ' O ' HG13 ' B' ' 30' ' ' ILE . 23.4 mtpt -60.78 -38.02 83.86 Favored 'General case' 0 C--O 1.256 1.402 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.805 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.95 86.63 Favored 'General case' 0 C--O 1.279 2.624 0 O-C-N 123.468 0.48 . . . . 0.0 111.387 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -64.03 -37.5 87.67 Favored 'General case' 0 C--O 1.254 1.3 0 O-C-N 120.438 -1.414 . . . . 0.0 110.825 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.484 HG13 ' N ' ' B' ' 31' ' ' GLN . 0.6 OUTLIER -69.69 -39.72 78.44 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 0.484 ' N ' HG13 ' B' ' 30' ' ' ILE . 2.5 tt0 -62.0 -48.86 78.42 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.547 2.594 . . . . 0.0 108.968 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -53.35 -41.86 66.24 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.82 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.4 OUTLIER -93.36 -24.32 18.13 Favored 'General case' 0 C--O 1.28 2.7 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 -175.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -123.68 -6.4 8.03 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 122.938 2.608 . . . . 0.0 113.784 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.09 5.6 90.0 Favored Glycine 0 CA--C 1.476 -2.379 0 N-CA-C 118.744 2.257 . . . . 0.0 118.744 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 1.4 mt -79.85 125.1 82.82 Favored Pre-proline 0 C--O 1.241 0.655 0 C-N-CA 118.682 -1.207 . . . . 0.0 111.003 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.7 Cg_exo -57.2 137.0 79.79 Favored 'Trans proline' 0 C--O 1.256 1.384 0 C-N-CA 122.935 2.424 . . . . 0.0 110.899 178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -57.21 -32.25 92.98 Favored 'Trans proline' 0 C--O 1.261 1.659 0 O-C-N 123.141 1.074 . . . . 0.0 113.324 -179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -15.52 63.6 Favored 'General case' 0 C--O 1.264 1.867 0 O-C-N 120.014 -1.679 . . . . 0.0 112.239 -177.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.425 ' HB3' ' CD2' ' B' ' 71' ' ' LEU . 0.1 OUTLIER -95.52 -10.59 29.26 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.462 -1.399 . . . . 0.0 112.207 178.405 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -84.84 129.66 34.78 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 124.207 1.955 . . . . 0.0 115.682 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -121.22 116.15 24.36 Favored 'General case' 0 C--O 1.299 3.663 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.63 130.33 51.06 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.484 1.038 . . . . 0.0 109.958 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.01 131.56 72.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 O-C-N 125.122 1.514 . . . . 0.0 111.987 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.25 129.83 19.07 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 45.98 19.82 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 111.979 -2.373 . . . . 0.0 110.693 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 20.27 59.5 Favored Glycine 0 C--N 1.298 -1.542 0 C-N-CA 128.217 2.818 . . . . 0.0 117.372 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -109.95 143.83 39.34 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 115.371 -2.252 . . . . 0.0 110.912 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.457 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.1 OUTLIER -87.17 130.34 34.58 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 103.971 -2.603 . . . . 0.0 103.971 173.38 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -79.58 138.37 37.44 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.074 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -101.94 139.98 36.84 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 125.178 1.549 . . . . 0.0 109.924 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.761 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.8 OUTLIER -48.17 -42.08 28.67 Favored 'General case' 0 C--O 1.262 1.723 0 N-CA-C 120.782 3.623 . . . . 0.0 120.782 -175.764 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.19 -8.58 85.22 Favored Glycine 0 CA--C 1.493 -1.339 0 N-CA-C 115.991 1.156 . . . . 0.0 115.991 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -85.6 165.33 17.13 Favored 'General case' 0 C--O 1.251 1.177 0 O-C-N 120.138 -1.801 . . . . 0.0 108.037 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 45.1 p -104.44 164.46 11.73 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.078 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.01 -36.42 79.46 Favored 'General case' 0 C--O 1.201 -1.47 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -63.66 -29.81 71.0 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.29 -1.764 . . . . 0.0 112.135 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.62 -39.06 70.31 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 122.554 1.169 . . . . 0.0 110.861 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -91.04 4.5 51.95 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.942 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.87 45.44 18.43 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-N 121.666 2.03 . . . . 0.0 111.301 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 8.3 mt -88.78 116.19 29.98 Favored 'Isoleucine or valine' 0 C--O 1.27 2.153 0 CA-C-O 115.106 -2.378 . . . . 0.0 106.259 175.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -103.29 169.62 8.44 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 126.048 2.093 . . . . 0.0 109.783 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 142.9 28.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.071 1.415 . . . . 0.0 109.287 -176.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 67.1 19.05 10.5 Favored 'General case' 0 C--O 1.256 1.437 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -71.06 159.47 34.67 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 50.9 m -118.9 126.6 52.16 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 118.108 -0.948 . . . . 0.0 108.896 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.13 154.59 19.14 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.726 -2.559 . . . . 0.0 105.703 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -105.58 135.73 46.45 Favored 'General case' 0 C--N 1.283 -2.295 0 O-C-N 127.489 2.993 . . . . 0.0 105.714 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tp -107.03 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.865 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.43 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.17 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 103.462 -2.792 . . . . 0.0 103.462 175.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.466 ' C ' ' CD2' ' B' ' 71' ' ' LEU . 2.6 tt -96.11 -83.52 0.37 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.1 0.476 . . . . 0.0 109.805 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.49 ' HB2' ' HA2' ' C' ' 101' ' ' GLY . 6.5 mmm180 46.78 80.69 0.05 OUTLIER 'General case' 0 C--N 1.278 -2.515 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.407 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 tp -53.68 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.872 0 O-C-N 125.696 1.872 . . . . 0.0 109.683 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -52.94 176.29 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.84 -1.527 . . . . 0.0 108.736 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.85 110.84 0.99 Allowed Glycine 0 C--O 1.245 0.834 0 CA-C-N 114.776 -1.102 . . . . 0.0 115.196 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.432 0 CA-C-O 116.601 -2.221 . . . . 0.0 108.296 179.1 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.526 0 CA-C-O 121.89 0.852 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.22 -174.17 0.09 Allowed 'General case' 0 C--N 1.289 -2.034 0 O-C-N 119.15 -2.219 . . . . 0.0 111.047 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -107.88 -51.69 2.87 Favored 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.765 2.026 . . . . 0.0 110.701 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -89.09 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.558 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.9 mt -70.2 -39.6 75.09 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.675 0.75 . . . . 0.0 111.885 172.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -144.3 136.11 22.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.233 1.413 . . . . 0.0 107.474 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.34 148.03 34.23 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.59 165.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -161.01 155.17 22.84 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.263 0.977 . . . . 0.0 111.181 173.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -72.21 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.331 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . 0.61 ' HB3' ' CD2' ' C' ' 107' ' ' PHE . . . -166.16 147.73 6.78 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.077 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.89 25.12 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 108.247 -1.941 . . . . 0.0 108.247 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.17 -179.22 3.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.8 mtt -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -136.64 156.57 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.108 -1.437 . . . . 0.0 108.781 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.28 -116.09 8.67 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -113.95 14.55 18.49 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.332 -0.434 . . . . 0.0 110.018 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 85.9 m -111.96 122.48 47.89 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 -172.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 44.6 t -76.08 119.99 25.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -124.08 119.31 26.56 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.17 -173.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.91 134.81 59.11 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 117.935 -0.91 . . . . 0.0 111.863 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 172.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.21 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -67.08 144.41 56.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.11 125.58 26.81 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . 0.435 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.26 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.221 1.456 . . . . 0.0 115.299 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 tt -128.39 124.38 36.17 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 5.1 m -91.0 137.54 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.12 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 164.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -151.86 157.82 42.4 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.964 0.888 . . . . 0.0 113.032 175.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 1.8 mp -118.81 131.08 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.599 -1.637 . . . . 0.0 108.325 174.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -134.05 137.64 44.8 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -100.16 122.04 42.37 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 77.7 p -84.1 171.12 13.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.248 0.546 . . . . 0.0 111.248 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.53 -10.44 59.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.691 -0.804 . . . . 0.0 113.165 -170.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m 73.8 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.404 1.482 . . . . 0.0 114.791 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mp -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -102.19 129.08 54.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.176 -177.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 13.3 m-70 -117.64 125.32 50.53 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -176.476 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -98.8 118.98 36.77 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 75.5 m -127.65 156.85 41.68 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.5 128.26 40.83 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.587 -1.642 . . . . 0.0 108.763 169.223 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.62 134.32 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.745 -176.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.26 115.36 13.68 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -63.98 -32.47 74.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -176.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -46.13 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -91.46 -20.44 21.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.574 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.5 2.72 60.6 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 80.5 t -84.19 109.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -94.54 -28.83 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.931 -171.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.99 135.51 54.85 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.838 0.828 . . . . 0.0 109.415 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.96 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.08 123.23 45.12 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.236 -174.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 47' ' ' GLY . 1.3 pt -75.86 124.3 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.392 1.091 . . . . 0.0 111.742 168.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 4.8 mm -122.96 130.33 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.632 -174.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.27 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.467 1.105 . . . . 0.0 110.861 173.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -54.31 133.88 58.13 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.91 2.407 . . . . 0.0 111.319 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.53 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -70.44 -33.63 71.53 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.01 0.823 . . . . 0.0 109.558 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.88 168.18 27.8 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.639 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.44 139.34 46.67 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.48 -1.691 . . . . 0.0 106.972 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -106.74 124.16 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.5 156.5 42.54 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.8 142.84 56.07 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.379 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 89.0 t -94.29 98.31 2.86 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -60.99 -31.99 91.92 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.765 2.179 . . . . 0.0 117.765 -167.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -91.1 8.59 34.82 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.207 -164.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.09 119.68 72.74 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -56.96 -19.83 34.0 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.42 -173.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 78.7 p -65.56 -34.67 78.79 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.411 0.55 . . . . 0.0 110.035 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.49 13.04 64.85 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.528 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -120.99 17.1 11.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 86.6 t -97.08 133.45 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . 0.882 ' HB2' ' CE1' ' C' ' 107' ' ' PHE . 10.1 m-85 -125.0 151.77 45.1 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.468 1.73 . . . . 0.0 110.44 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 p -127.03 135.39 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 57.8 tp -95.48 108.06 20.27 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -109.21 125.23 52.02 Favored 'General case' 0 CA--C 1.486 -1.509 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -171.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -84.89 115.68 22.9 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.136 0.898 . . . . 0.0 109.153 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . 0.457 ' HA ' ' HB2' ' B' ' 49' ' ' GLN . 13.0 mtmt -63.38 -25.18 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.412 -169.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.26 115.21 28.96 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 173.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . 0.49 ' HA2' ' HB2' ' B' ' 72' ' ' ARG . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.34 8.94 33.65 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.034 -0.686 . . . . 0.0 110.55 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -70.63 129.19 38.51 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.622 -165.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.01 141.78 46.28 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.946 175.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mt -124.56 126.24 45.49 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -100.86 143.67 30.74 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.329 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . 0.992 ' CD1' ' C ' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -137.09 156.72 48.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.307 178.685 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 26.7 p-90 -131.5 126.57 35.29 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.408 175.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.63 137.75 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.238 -174.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -118.84 3.97 11.54 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.268 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.28 135.92 93.85 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.129 1.442 . . . . 0.0 108.623 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.29 -41.34 42.69 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.444 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -96.12 146.93 24.25 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.513 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 14.9 t -83.41 -9.26 59.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.216 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.23 5.8 37.82 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -174.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -56.84 -48.83 77.15 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.307 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -69.77 -32.28 70.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.582 -173.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.25 -44.09 80.3 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.901 0.381 . . . . 0.0 110.909 175.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -55.6 -45.91 77.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.025 -1.047 . . . . 0.0 112.264 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' C' ' 122' ' ' ARG . 0.5 OUTLIER -60.53 -43.12 97.48 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.695 0.76 . . . . 0.0 110.348 178.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' C' ' 121' ' ' CYS . 0.0 OUTLIER -61.89 -43.45 98.82 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.117 -179.43 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -42.37 96.58 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 69.3 t -52.27 -51.87 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.478 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.37 -39.53 87.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.33 -45.93 82.31 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.453 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 63.0 m-85 -79.06 -24.51 43.51 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.445 -0.902 . . . . 0.0 112.381 -174.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -78.96 -36.15 42.0 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.796 -0.761 . . . . 0.0 112.278 174.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.73 -11.12 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -168.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -141.17 71.87 27.4 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -82.32 168.47 14.85 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.591 1.527 . . . . 0.0 111.66 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo . . . . . 0 C--N 1.288 -2.624 0 C-N-CA 122.437 2.092 . . . . 0.0 111.568 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 mmt . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -91.18 138.21 31.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 126.812 2.57 . . . . 0.0 108.795 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.23 162.97 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 173.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 1.005 ' O ' HD11 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -115.93 140.22 49.47 Favored 'General case' 0 N--CA 1.513 2.698 1 O-C-N 130.643 4.964 . . . . 0.0 108.779 179.606 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.836 ' HA ' HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -118.15 114.25 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.562 175.829 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.23 127.52 41.35 Favored 'General case' 0 N--CA 1.505 2.323 1 O-C-N 129.36 4.162 . . . . 0.0 107.928 -178.092 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -99.54 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.35 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.8 mt -73.33 -7.02 49.84 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.049 0.843 . . . . 0.0 112.722 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.52 15.02 30.2 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.652 -2.419 . . . . 0.0 112.003 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.68 80.21 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.305 -1.497 . . . . 0.0 116.161 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.48 138.1 34.57 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.89 131.66 55.31 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 126.727 2.517 . . . . 0.0 105.943 176.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.54 141.92 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 127.615 3.072 . . . . 0.0 108.865 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.8 m -101.4 139.7 36.71 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 117.214 -1.794 . . . . 0.0 108.2 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.43 153.99 44.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 115.418 -2.229 . . . . 0.0 108.332 -179.144 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -111.82 120.97 43.79 Favored 'General case' 0 N--CA 1.499 2.012 1 O-C-N 129.179 4.05 . . . . 0.0 103.685 173.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.9 170.62 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.312 0 O-C-N 127.513 3.008 . . . . 0.0 111.201 -177.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.0 144.49 37.67 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 112.356 -2.202 . . . . 0.0 106.349 174.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -55.02 -24.36 39.54 Favored 'Trans proline' 0 C--N 1.322 -0.838 0 C-N-CA 122.497 2.131 . . . . 0.0 111.935 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -8.33 59.24 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.872 -177.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.0 148.37 47.7 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 117.474 -1.69 . . . . 0.0 109.808 -179.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -83.69 160.53 21.29 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 21.2 mm -61.43 -37.13 77.02 Favored 'Isoleucine or valine' 0 C--O 1.245 0.844 0 O-C-N 127.209 2.818 . . . . 0.0 110.263 175.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.61 -40.16 78.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.336 -0.852 . . . . 0.0 110.788 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.29 -41.9 80.29 Favored 'General case' 0 C--O 1.262 1.729 0 O-C-N 121.919 -0.488 . . . . 0.0 110.947 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -58.14 -46.45 88.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 178.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.856 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 22.5 mttm -60.88 -37.83 83.53 Favored 'General case' 0 C--O 1.26 1.611 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.689 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.503 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.19 -38.13 87.27 Favored 'General case' 0 C--O 1.277 2.542 0 CA-C-N 118.207 0.458 . . . . 0.0 111.091 176.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.12 -37.55 87.84 Favored 'General case' 0 C--O 1.254 1.31 0 O-C-N 120.486 -1.383 . . . . 0.0 110.599 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.96 -39.5 77.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.139 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.913 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 2.2 mm-40 -62.17 -48.81 78.43 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 125.574 2.606 . . . . 0.0 109.053 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.24 -41.69 65.69 Favored 'General case' 0 C--O 1.253 1.238 0 CA-C-N 113.463 -1.699 . . . . 0.0 111.915 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 14.3 tptp -93.65 -24.2 17.97 Favored 'General case' 0 C--O 1.281 2.75 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.47 -6.45 8.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 123.148 2.704 . . . . 0.0 114.19 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.77 89.93 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.94 2.336 . . . . 0.0 118.94 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.913 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 19.5 mm -79.86 124.8 83.11 Favored Pre-proline 0 C--O 1.243 0.759 0 C-N-CA 118.866 -1.134 . . . . 0.0 110.899 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.579 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 79.9 Cg_exo -56.95 136.77 78.59 Favored 'Trans proline' 0 C--O 1.259 1.552 0 C-N-CA 123.351 2.7 . . . . 0.0 110.862 178.218 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.834 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 32.5 Cg_exo -57.15 -31.83 91.62 Favored 'Trans proline' 0 C--O 1.262 1.712 0 O-C-N 122.951 0.974 . . . . 0.0 113.749 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.59 -15.36 63.51 Favored 'General case' 0 C--O 1.261 1.664 0 O-C-N 119.863 -1.773 . . . . 0.0 112.213 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -95.97 -10.22 29.18 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 120.714 -1.242 . . . . 0.0 112.043 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.84 129.61 34.79 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 124.36 2.028 . . . . 0.0 115.706 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -121.08 116.1 24.37 Favored 'General case' 0 C--O 1.298 3.615 0 N-CA-C 104.936 -2.246 . . . . 0.0 104.936 171.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -103.52 130.18 50.85 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 119.501 1.046 . . . . 0.0 109.867 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -121.93 131.89 72.12 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 O-C-N 125.139 1.525 . . . . 0.0 111.94 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 0.676 ' CZ ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -144.4 129.52 18.61 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 177.572 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 46.05 19.79 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.707 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' C' ' 74' ' ' ILE . . . 61.74 21.66 61.05 Favored Glycine 0 N--CA 1.432 -1.612 0 C-N-CA 128.723 3.059 . . . . 0.0 117.462 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.02 142.74 46.22 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 177.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -85.79 130.29 34.6 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 103.778 -2.675 . . . . 0.0 103.778 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -79.39 138.11 37.53 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 117.665 -1.159 . . . . 0.0 110.174 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.8 140.07 36.58 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 125.03 1.456 . . . . 0.0 110.014 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -47.99 -42.45 27.86 Favored 'General case' 0 C--O 1.264 1.85 0 N-CA-C 120.764 3.616 . . . . 0.0 120.764 -175.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.66 -8.99 85.29 Favored Glycine 0 CA--C 1.49 -1.494 0 N-CA-C 116.192 1.237 . . . . 0.0 116.192 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -85.44 165.23 17.35 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 119.801 -1.999 . . . . 0.0 108.027 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 20.4 p -104.32 164.87 11.43 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 176.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.54 -36.02 79.41 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -29.4 70.5 Favored 'General case' 0 C--O 1.268 2.05 0 C-N-CA 117.328 -1.749 . . . . 0.0 112.176 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.51 -39.55 70.63 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 122.501 1.143 . . . . 0.0 110.715 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -90.82 4.68 51.05 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.999 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 58.08 45.21 18.11 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 121.617 2.008 . . . . 0.0 111.187 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.1 mm -88.72 116.59 30.65 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 CA-C-O 115.143 -2.361 . . . . 0.0 106.187 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.465 ' O ' ' HB2' ' A' ' 65' ' ' SER . 0.0 OUTLIER -103.56 169.59 8.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 126.006 2.066 . . . . 0.0 109.376 -176.647 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.93 27.66 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 123.259 1.504 . . . . 0.0 109.101 -176.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 66.93 19.26 10.63 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -71.15 159.5 34.56 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.718 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.676 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . 6.4 t -119.15 126.75 52.33 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 118.168 -0.92 . . . . 0.0 108.865 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 1.005 HD11 ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -103.08 154.51 19.19 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 114.762 -2.542 . . . . 0.0 105.711 175.141 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.611 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -105.58 135.59 46.71 Favored 'General case' 0 C--N 1.287 -2.116 0 O-C-N 127.391 2.932 . . . . 0.0 105.892 177.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 tp -106.82 115.84 30.89 Favored 'General case' 0 C--O 1.285 2.922 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.446 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.2 t -108.07 139.9 28.53 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 N-CA-C 103.577 -2.749 . . . . 0.0 103.577 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -96.07 138.78 33.19 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.242 0.544 . . . . 0.0 109.806 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -55.17 -28.35 52.25 Favored 'General case' 0 C--N 1.279 -2.492 0 CA-C-O 113.153 -3.308 . . . . 0.0 105.629 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mt 62.3 172.45 0.13 Allowed 'General case' 0 C--N 1.29 -2.006 0 O-C-N 125.932 2.02 . . . . 0.0 109.582 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.83 69.3 0.76 Allowed 'General case' 0 C--O 1.245 0.835 0 CA-C-N 113.638 -1.619 . . . . 0.0 108.91 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.69 -175.64 23.52 Favored Glycine 0 C--O 1.247 0.909 0 CA-C-N 114.516 -1.22 . . . . 0.0 115.225 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.554 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 179.403 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mmm . . . . . 0 CA--C 1.549 0.911 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.9 138.51 31.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 127.143 2.777 . . . . 0.0 108.741 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.14 163.01 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 CA-C-O 115.813 -2.042 . . . . 0.0 105.885 173.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.91 140.19 49.48 Favored 'General case' 0 N--CA 1.514 2.747 1 O-C-N 130.619 4.949 . . . . 0.0 108.627 179.713 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.426 ' HB ' ' CD1' ' B' ' 69' ' ' LEU . 0.0 OUTLIER -117.93 114.11 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-O 113.376 -3.202 . . . . 0.0 105.793 175.504 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.14 127.62 41.34 Favored 'General case' 0 N--CA 1.502 2.138 1 O-C-N 129.203 4.064 . . . . 0.0 108.19 -178.12 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.55 170.83 8.32 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.769 -1.11 . . . . 0.0 109.259 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 5.6 mt -73.42 -6.93 49.42 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.096 0.872 . . . . 0.0 112.838 -178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -101.23 14.78 30.88 Favored 'General case' 0 N--CA 1.507 2.396 0 C-N-CA 115.663 -2.415 . . . . 0.0 111.997 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.75 80.05 Favored Glycine 0 C--N 1.296 -1.662 0 O-C-N 120.136 -1.603 . . . . 0.0 116.01 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.28 137.95 34.61 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 174.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.87 131.98 55.42 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 126.31 2.256 . . . . 0.0 106.203 176.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.55 141.82 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.825 3.203 . . . . 0.0 109.096 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -101.18 139.91 36.2 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 117.054 -1.858 . . . . 0.0 108.356 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.8 mt -126.59 154.11 44.36 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 115.538 -2.172 . . . . 0.0 108.348 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.86 121.22 44.47 Favored 'General case' 0 N--CA 1.496 1.874 1 O-C-N 129.271 4.107 . . . . 0.0 103.496 174.073 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.11 170.56 15.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.351 0 O-C-N 127.774 3.171 . . . . 0.0 111.271 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.415 ' HA ' ' HD3' ' B' ' 19' ' ' PRO . 8.4 pm0 -120.03 144.68 38.14 Favored Pre-proline 0 C--N 1.312 -1.052 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.288 174.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 18' ' ' GLU . 73.9 Cg_exo -55.0 -24.66 40.78 Favored 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 122.719 2.279 . . . . 0.0 111.498 177.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.6 t -79.89 -8.34 59.25 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.849 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.92 148.52 47.64 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.727 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.1 p -83.86 160.49 21.14 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 175.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.527 HG23 HD13 ' B' ' 50' ' ' LEU . 1.8 mp -61.44 -36.74 75.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 126.959 2.662 . . . . 0.0 110.336 175.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.763 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.2 -42.83 77.82 Favored 'General case' 0 C--O 1.252 1.22 0 O-C-N 120.408 -1.432 . . . . 0.0 111.009 176.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -64.47 -44.47 90.95 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 124.263 1.025 . . . . 0.0 111.44 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.66 -46.31 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 114.207 -1.36 . . . . 0.0 108.992 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.661 ' O ' HG22 ' B' ' 30' ' ' ILE . 10.5 mtmm -60.7 -38.07 83.79 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.812 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -37.94 86.76 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 123.359 0.412 . . . . 0.0 111.38 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -64.1 -37.47 87.56 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 120.429 -1.419 . . . . 0.0 110.791 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.661 HG22 ' O ' ' B' ' 27' ' ' LYS . 5.4 tp -69.66 -39.77 78.56 Favored 'Isoleucine or valine' 0 C--O 1.255 1.376 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.97 -48.82 78.65 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 125.572 2.606 . . . . 0.0 109.054 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.4 -41.8 66.34 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.852 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.4 OUTLIER -93.32 -24.36 18.15 Favored 'General case' 0 C--O 1.28 2.659 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 -175.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.72 -6.25 8.02 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 122.864 2.574 . . . . 0.0 113.688 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.63 90.01 Favored Glycine 0 CA--C 1.477 -2.318 0 N-CA-C 118.66 2.224 . . . . 0.0 118.66 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 4.2 pt -79.91 124.99 82.93 Favored Pre-proline 0 C--O 1.242 0.682 0 C-N-CA 118.719 -1.192 . . . . 0.0 111.033 179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.444 ' O ' ' HG3' ' B' ' 40' ' ' GLN . 82.9 Cg_exo -57.17 137.05 80.04 Favored 'Trans proline' 0 C--O 1.256 1.404 0 C-N-CA 122.913 2.409 . . . . 0.0 110.833 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -57.17 -32.19 92.72 Favored 'Trans proline' 0 C--O 1.261 1.666 0 O-C-N 123.023 1.012 . . . . 0.0 113.444 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -15.54 63.6 Favored 'General case' 0 C--O 1.265 1.912 0 O-C-N 120.056 -1.652 . . . . 0.0 112.189 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.739 ' HB2' ' CD1' ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.48 -10.73 28.98 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.504 -1.372 . . . . 0.0 112.177 178.432 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -84.76 129.6 34.8 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 124.274 1.988 . . . . 0.0 115.797 -177.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -121.1 116.08 24.32 Favored 'General case' 0 C--O 1.299 3.664 0 N-CA-C 104.83 -2.285 . . . . 0.0 104.83 172.19 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.567 ' CB ' ' HG ' ' B' ' 50' ' ' LEU . 0.2 OUTLIER -103.52 130.26 50.88 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.501 1.046 . . . . 0.0 110.02 -177.663 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 12.5 mm -122.01 131.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 125.136 1.522 . . . . 0.0 111.966 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.68 ' HD2' ' O ' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.23 129.78 19.05 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 177.449 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 46.01 19.66 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 112.011 -2.358 . . . . 0.0 110.661 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 20.29 59.44 Favored Glycine 0 C--N 1.298 -1.581 0 C-N-CA 128.349 2.88 . . . . 0.0 117.349 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -109.94 143.93 39.18 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 115.307 -2.282 . . . . 0.0 110.964 174.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.443 ' HB3' ' CB ' ' C' ' 99' ' ' LYS . 3.8 pp0? -87.29 130.33 34.64 Favored 'General case' 0 C--N 1.279 -2.473 0 N-CA-C 103.95 -2.611 . . . . 0.0 103.95 173.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.823 HD11 ' O ' ' B' ' 50' ' ' LEU . 0.1 OUTLIER -79.61 138.44 37.43 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.043 -175.757 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.98 140.01 36.85 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 125.201 1.563 . . . . 0.0 109.893 -177.627 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.763 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.6 OUTLIER -48.22 -42.1 29.2 Favored 'General case' 0 C--O 1.261 1.7 0 N-CA-C 120.741 3.608 . . . . 0.0 120.741 -175.774 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.28 -8.37 85.37 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 115.967 1.147 . . . . 0.0 115.967 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -85.62 165.3 17.14 Favored 'General case' 0 C--O 1.25 1.13 0 O-C-N 120.124 -1.809 . . . . 0.0 108.02 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 2.3 p -104.35 164.59 11.63 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.06 -36.39 79.48 Favored 'General case' 0 C--O 1.201 -1.49 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -29.79 70.98 Favored 'General case' 0 C--O 1.266 1.922 0 C-N-CA 117.294 -1.762 . . . . 0.0 112.184 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.68 -39.01 70.39 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 122.454 1.121 . . . . 0.0 110.729 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.507 ' CG ' ' CZ ' ' B' ' 45' ' ' PHE . 79.4 m-85 -91.2 4.54 51.99 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.865 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.92 45.35 18.39 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 121.713 2.051 . . . . 0.0 111.276 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.74 116.22 30.02 Favored 'Isoleucine or valine' 0 C--O 1.269 2.087 0 CA-C-O 115.098 -2.382 . . . . 0.0 106.239 175.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -103.32 169.53 8.49 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 126.08 2.113 . . . . 0.0 109.74 -176.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 142.97 27.11 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 123.228 1.49 . . . . 0.0 109.264 -176.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.403 0 N-CA-C 117.819 2.525 . . . . 0.0 117.819 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.4 t -71.07 159.56 34.5 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.06 126.63 52.13 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 118.153 -0.927 . . . . 0.0 108.801 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -103.18 154.57 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.667 -2.587 . . . . 0.0 105.699 175.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -105.58 135.73 46.46 Favored 'General case' 0 C--N 1.284 -2.28 0 O-C-N 127.581 3.051 . . . . 0.0 105.773 177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.542 HD22 ' HG ' ' B' ' 43' ' ' LEU . 6.6 mt -107.05 115.87 30.94 Favored 'General case' 0 C--O 1.283 2.847 0 CA-C-O 117.596 -1.193 . . . . 0.0 111.419 176.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 39.8 t -108.13 139.92 28.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 103.472 -2.788 . . . . 0.0 103.472 175.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.739 ' CD1' ' HB2' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -96.11 -83.43 0.37 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.057 0.456 . . . . 0.0 109.851 178.373 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.714 ' N ' ' HG ' ' B' ' 71' ' ' LEU . 4.3 ttp180 -135.31 -165.4 1.68 Allowed 'General case' 0 C--N 1.277 -2.586 0 CA-C-O 113.46 -3.162 . . . . 0.0 105.444 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -176.28 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.792 0 O-C-N 125.646 1.841 . . . . 0.0 109.687 -179.457 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? 64.25 117.74 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 113.843 -1.526 . . . . 0.0 108.764 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.52 -70.26 0.3 Allowed Glycine 0 C--O 1.244 0.758 0 CA-C-N 114.856 -1.065 . . . . 0.0 115.096 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.422 0 CA-C-O 116.44 -2.311 . . . . 0.0 108.29 179.153 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 121.964 0.888 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -72.83 -71.78 0.28 Allowed 'General case' 0 C--N 1.29 -2.008 0 O-C-N 119.053 -2.279 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 177.65 148.4 0.15 Allowed 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 126.886 2.074 . . . . 0.0 110.716 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.01 137.88 31.91 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.59 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.26 -39.57 74.88 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.653 0.739 . . . . 0.0 111.828 172.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.7 t -144.36 136.19 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.184 1.394 . . . . 0.0 107.449 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -144.47 148.03 34.04 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.528 165.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -160.98 155.21 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.32 1.013 . . . . 0.0 111.148 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -72.24 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.18 -1.373 . . . . 0.0 112.331 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.18 147.65 6.73 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.098 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.87 25.22 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -179.24 3.79 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' MET . . . . . 0.621 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.14 161.05 37.2 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' SER . . . . . 0.621 ' N ' ' HG2' ' C' ' 31' ' ' MET . 3.4 m -136.66 156.48 48.49 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.131 -1.428 . . . . 0.0 108.794 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.71 116.16 28.76 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -112.35 115.87 29.43 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.11 8.69 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.289 -1.925 . . . . 0.0 108.289 -169.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.93 14.55 18.51 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.37 -0.415 . . . . 0.0 109.99 178.061 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 4.4 p -112.03 122.47 47.86 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -172.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 35.4 m -76.09 120.04 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.18 119.37 26.43 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.161 -173.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.79 59.0 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.924 -0.917 . . . . 0.0 111.853 173.442 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.64 132.15 34.21 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 172.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -11.2 59.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.14 144.43 56.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -173.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 125.54 26.68 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 171.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.22 21.59 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.12 1.4 . . . . 0.0 115.404 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mt -128.32 124.4 36.38 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.4 t -90.96 137.62 21.34 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 164.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -152.01 157.77 42.16 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 122.043 0.925 . . . . 0.0 113.017 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.471 ' CD1' HD23 ' C' ' 128' ' ' LEU . 3.1 mm -118.77 131.09 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.325 174.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -134.04 137.61 44.81 Favored 'General case' 0 CA--C 1.492 -1.251 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -100.16 122.08 42.43 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -84.09 171.07 13.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.287 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -10.36 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.651 -0.819 . . . . 0.0 113.187 -170.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.71 7.36 15.13 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.316 -0.154 . . . . 0.0 110.948 170.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 29.4 t 73.86 -1.31 3.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.399 1.48 . . . . 0.0 114.695 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.91 149.94 39.29 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 119.24 -0.984 . . . . 0.0 113.11 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.21 129.1 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.418 ' O ' HD13 ' C' ' 49' ' ' ILE . 8.4 m-70 -117.65 125.36 50.59 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -176.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -98.88 119.02 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 171.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 93.1 m -127.7 156.78 41.83 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -130.43 128.35 41.14 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.523 -1.671 . . . . 0.0 108.728 169.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -120.69 134.33 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 113.993 -1.458 . . . . 0.0 109.801 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -74.26 115.32 13.63 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -32.38 73.9 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -176.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -46.17 55.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 32.5 t -91.36 -20.58 21.68 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.582 -176.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.67 2.65 61.11 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-O 119.711 -0.494 . . . . 0.0 113.722 -171.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.645 1.223 . . . . 0.0 113.195 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 34.5 t -84.17 109.1 17.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -94.55 -28.83 15.21 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.898 -171.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -121.97 135.57 54.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.808 0.813 . . . . 0.0 109.389 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -155.01 103.32 2.39 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.543 -2.391 . . . . 0.0 104.543 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.08 123.24 45.14 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.38 -1.282 . . . . 0.0 109.242 -174.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . 0.46 ' O ' ' O ' ' A' ' 47' ' ' GLY . 5.0 pt -75.84 124.35 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.374 1.083 . . . . 0.0 111.714 168.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 2.0 pp -122.99 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.415 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.645 -174.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.33 158.97 30.78 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.334 1.021 . . . . 0.0 110.826 173.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.31 133.88 58.13 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.91 2.407 . . . . 0.0 111.319 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.48 6.86 5.92 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 -175.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -33.66 71.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 119.061 0.846 . . . . 0.0 109.576 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 6.4 p -154.9 168.16 27.87 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.481 -1.288 . . . . 0.0 113.639 -173.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -133.41 139.38 46.73 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 113.441 -1.709 . . . . 0.0 107.026 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -106.74 124.16 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.55 156.41 42.41 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -67.69 142.83 56.21 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.416 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 35.8 t -94.31 98.33 2.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 171.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -61.05 -31.87 91.37 Favored 'Trans proline' 0 N--CA 1.476 0.478 0 N-CA-C 117.786 2.187 . . . . 0.0 117.786 -167.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -91.08 8.6 34.7 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.929 -1.509 . . . . 0.0 112.273 -164.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 5.9 m -85.08 119.69 72.76 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.89 -19.92 33.94 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.408 -173.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 14.6 p -65.56 -34.63 78.7 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.421 0.555 . . . . 0.0 110.062 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.49 13.02 64.82 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.528 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -120.97 17.03 11.74 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 52.7 t -96.91 133.46 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -125.0 151.81 45.05 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.517 1.761 . . . . 0.0 110.388 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.08 135.27 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 57.9 tp -95.36 108.1 20.26 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 169.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -109.1 125.17 51.86 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 -171.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -84.84 115.76 22.92 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.058 0.849 . . . . 0.0 109.148 176.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . 0.443 ' CB ' ' HB3' ' B' ' 49' ' ' GLN . 2.1 pttp -63.54 -25.1 68.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.344 -169.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.437 ' CB ' ' HE2' ' A' ' 68' ' ' HIS . . . -111.31 115.13 28.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 173.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.9 172.35 27.71 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -172.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.34 9.0 33.36 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.026 -0.69 . . . . 0.0 110.523 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -70.63 129.22 38.6 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.622 -165.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.15 141.74 46.0 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.854 175.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.4 mp -124.45 126.17 45.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -100.86 143.68 30.72 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.329 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -137.12 156.68 48.07 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.262 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -131.43 126.55 35.38 Favored 'General case' 0 N--CA 1.418 -2.035 0 C-N-CA 119.516 -0.874 . . . . 0.0 110.446 175.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -62.64 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.278 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.88 4.01 11.51 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.629 -1.168 . . . . 0.0 110.256 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.26 135.83 93.79 Favored Pre-proline 0 C--O 1.264 1.838 0 CA-C-O 123.154 1.454 . . . . 0.0 108.717 172.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.19 -41.34 43.47 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.568 -1.154 . . . . 0.0 112.482 -174.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.15 146.95 24.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 13.9 p -83.48 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.125 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -33.78 56.28 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.403 0.681 . . . . 0.0 112.767 -169.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.28 5.88 37.73 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -174.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.96 -1.096 . . . . 0.0 110.307 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.87 -32.2 70.45 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.543 -173.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.33 -44.04 80.1 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 175.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -55.61 -45.86 77.44 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.025 -1.047 . . . . 0.0 112.27 173.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 13.9 t -60.59 -43.07 97.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 121.695 0.76 . . . . 0.0 110.323 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -43.35 99.03 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.101 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -64.29 -42.29 96.48 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . 0.416 ' O ' ' HG ' ' C' ' 128' ' ' LEU . 55.4 t -52.36 -51.86 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.383 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.4 -39.49 87.53 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.27 -45.96 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.502 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -79.07 -24.44 43.52 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.38 -174.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.645 ' N ' HD21 ' C' ' 128' ' ' LEU . 0.3 OUTLIER -79.08 -36.06 41.4 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.751 -0.78 . . . . 0.0 112.273 174.515 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -110.8 -11.05 14.42 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -168.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -141.17 71.8 27.44 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 169.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -77.77 170.94 18.21 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 121.522 1.482 . . . . 0.0 111.642 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo . . . . . 0 C--N 1.29 -2.526 0 C-N-CA 122.372 2.048 . . . . 0.0 111.602 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.02 138.18 31.8 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 126.827 2.58 . . . . 0.0 108.943 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.3 pp -131.25 162.97 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.37 0 CA-C-O 115.916 -1.992 . . . . 0.0 105.633 173.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -115.91 140.16 49.52 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.563 4.914 . . . . 0.0 108.785 179.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 94.9 t -118.03 114.16 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.632 175.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -95.17 127.59 41.34 Favored 'General case' 0 N--CA 1.506 2.328 1 O-C-N 129.374 4.171 . . . . 0.0 107.839 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.62 170.8 8.33 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.375 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -7.01 49.85 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 124.105 0.878 . . . . 0.0 112.638 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.7 p -101.49 15.08 29.99 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.695 -2.402 . . . . 0.0 111.983 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 16.73 80.24 Favored Glycine 0 C--N 1.297 -1.603 0 O-C-N 120.235 -1.54 . . . . 0.0 116.162 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.5 138.09 34.6 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 175.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -119.96 131.64 55.25 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 126.652 2.47 . . . . 0.0 105.952 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.9 mm -109.57 141.9 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 127.623 3.077 . . . . 0.0 108.891 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -101.33 139.63 36.74 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 117.231 -1.788 . . . . 0.0 108.193 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.2 mt -126.43 154.04 44.2 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.336 -179.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -111.89 121.08 44.07 Favored 'General case' 0 N--CA 1.499 2.024 1 O-C-N 129.275 4.11 . . . . 0.0 103.627 173.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.8 m -138.95 170.6 15.99 Favored 'Isoleucine or valine' 0 C--O 1.255 1.365 0 O-C-N 127.565 3.041 . . . . 0.0 111.286 -177.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -119.95 144.31 37.2 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 112.373 -2.194 . . . . 0.0 106.41 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -54.9 -24.34 38.51 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.553 2.169 . . . . 0.0 111.949 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.02 -8.08 59.17 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.967 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.05 148.39 47.6 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 117.435 -1.706 . . . . 0.0 109.813 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.76 160.52 21.23 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 175.809 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 34.9 mm -61.49 -37.13 77.08 Favored 'Isoleucine or valine' 0 C--O 1.246 0.903 0 O-C-N 127.157 2.785 . . . . 0.0 110.241 175.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -40.17 77.85 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.312 -0.868 . . . . 0.0 110.825 176.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.32 -41.91 80.12 Favored 'General case' 0 C--O 1.261 1.702 0 O-C-N 121.896 -0.502 . . . . 0.0 110.949 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.24 -46.44 88.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 124.428 1.08 . . . . 0.0 109.17 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -60.77 -37.95 83.6 Favored 'General case' 0 C--O 1.259 1.557 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.764 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.03 86.94 Favored 'General case' 0 C--O 1.278 2.575 0 CA-C-N 118.043 0.383 . . . . 0.0 111.163 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -37.61 88.06 Favored 'General case' 0 C--O 1.254 1.342 0 CA-C-O 123.072 1.415 . . . . 0.0 110.699 176.02 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.6 mt -70.02 -39.35 77.24 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.32 -48.76 78.4 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 125.488 2.566 . . . . 0.0 109.039 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.17 -41.78 65.55 Favored 'General case' 0 C--O 1.253 1.243 0 CA-C-N 113.515 -1.675 . . . . 0.0 111.954 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 34.9 tttt -93.61 -24.27 17.98 Favored 'General case' 0 C--O 1.281 2.73 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 -175.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -123.4 -6.42 8.19 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.103 2.683 . . . . 0.0 114.243 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.7 89.97 Favored Glycine 0 CA--C 1.479 -2.208 0 N-CA-C 118.978 2.351 . . . . 0.0 118.978 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 53.3 mt -79.73 124.78 83.35 Favored Pre-proline 0 C--O 1.245 0.854 0 C-N-CA 118.842 -1.143 . . . . 0.0 110.947 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -56.97 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.561 0 C-N-CA 123.344 2.696 . . . . 0.0 110.774 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -57.2 -31.96 92.12 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 122.911 0.953 . . . . 0.0 113.645 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -15.26 63.47 Favored 'General case' 0 C--O 1.261 1.691 0 O-C-N 119.811 -1.806 . . . . 0.0 112.195 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -96.03 -10.23 29.0 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 120.68 -1.262 . . . . 0.0 112.004 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -84.86 129.6 34.79 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 124.389 2.042 . . . . 0.0 115.749 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 116.13 24.44 Favored 'General case' 0 C--O 1.299 3.672 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 171.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' HB2' HD13 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -103.6 130.18 50.99 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.515 1.052 . . . . 0.0 109.922 -177.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.02 131.88 72.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 O-C-N 125.154 1.534 . . . . 0.0 111.805 -177.471 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -144.47 129.49 18.52 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.16 19.6 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 112.198 -2.274 . . . . 0.0 110.765 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.63 21.71 60.86 Favored Glycine 0 N--CA 1.433 -1.536 0 C-N-CA 128.66 3.029 . . . . 0.0 117.465 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -115.04 142.73 46.24 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -85.87 130.31 34.59 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mp -79.55 138.12 37.39 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 117.708 -1.139 . . . . 0.0 110.146 -175.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -101.67 140.07 36.46 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 125.071 1.482 . . . . 0.0 109.965 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.94 -42.55 27.71 Favored 'General case' 0 C--O 1.264 1.847 0 N-CA-C 120.732 3.604 . . . . 0.0 120.732 -175.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.69 -8.8 85.52 Favored Glycine 0 CA--C 1.49 -1.525 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.48 165.27 17.29 Favored 'General case' 0 C--O 1.251 1.164 0 O-C-N 119.837 -1.978 . . . . 0.0 108.1 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.6 p -104.37 164.95 11.38 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 176.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.71 -35.92 79.42 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -29.39 70.49 Favored 'General case' 0 C--O 1.267 1.977 0 C-N-CA 117.322 -1.751 . . . . 0.0 112.219 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.61 -39.43 70.78 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 122.421 1.105 . . . . 0.0 110.753 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -90.85 4.69 51.09 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.721 -1.133 . . . . 0.0 113.028 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.09 45.16 18.16 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.607 2.003 . . . . 0.0 111.229 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.1 mt -88.74 116.5 30.5 Favored 'Isoleucine or valine' 0 C--O 1.265 1.89 0 CA-C-O 115.162 -2.351 . . . . 0.0 106.183 175.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -103.52 169.72 8.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 126.15 2.156 . . . . 0.0 109.363 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 pttp -54.92 142.87 28.04 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 123.262 1.506 . . . . 0.0 109.108 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 81.5 mm-40 67.01 19.29 10.57 Favored 'General case' 0 C--O 1.254 1.308 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.21 159.59 34.37 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.1 126.75 52.36 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 118.093 -0.955 . . . . 0.0 108.855 175.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.457 HD13 ' HB2' ' A' ' 43' ' ' LEU . 4.4 tt -103.11 154.56 19.15 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 114.755 -2.545 . . . . 0.0 105.647 175.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -105.68 135.71 46.61 Favored 'General case' 0 C--N 1.287 -2.132 0 O-C-N 127.382 2.926 . . . . 0.0 105.812 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -106.9 115.82 30.84 Favored 'General case' 0 C--O 1.285 2.967 0 CA-C-O 117.651 -1.166 . . . . 0.0 111.43 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -108.04 139.86 28.62 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 N-CA-C 103.59 -2.745 . . . . 0.0 103.59 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mp -96.06 138.91 33.01 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 121.302 0.572 . . . . 0.0 109.793 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -104.01 92.01 4.21 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-O 113.215 -3.279 . . . . 0.0 105.551 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mp -86.01 68.18 10.23 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 125.86 1.975 . . . . 0.0 109.631 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 52.37 35.33 17.02 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.894 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.39 113.77 1.68 Allowed Glycine 0 C--O 1.246 0.87 0 CA-C-N 114.53 -1.214 . . . . 0.0 115.161 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.522 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 179.448 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptt? . . . . . 0 CA--C 1.548 0.866 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -90.88 138.39 31.63 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 127.101 2.751 . . . . 0.0 108.898 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 pt -131.14 163.13 37.83 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-O 115.782 -2.056 . . . . 0.0 105.89 173.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -116.04 140.15 49.56 Favored 'General case' 0 N--CA 1.515 2.791 1 O-C-N 130.653 4.971 . . . . 0.0 108.585 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.515 ' HA ' HD23 ' B' ' 67' ' ' LEU . 0.1 OUTLIER -117.92 114.09 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-O 113.432 -3.175 . . . . 0.0 105.823 175.512 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -95.12 127.62 41.32 Favored 'General case' 0 N--CA 1.503 2.19 1 O-C-N 129.164 4.04 . . . . 0.0 108.107 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.9 p -99.6 170.84 8.3 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 117.846 -1.073 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.31 -7.09 50.11 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.976 0.797 . . . . 0.0 112.833 -178.26 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -101.23 14.83 30.72 Favored 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 115.642 -2.423 . . . . 0.0 112.034 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.58 16.52 80.14 Favored Glycine 0 C--N 1.298 -1.569 0 O-C-N 120.121 -1.612 . . . . 0.0 116.005 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -96.22 137.9 34.62 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 174.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 6.8 m -119.9 131.86 55.37 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 126.413 2.321 . . . . 0.0 106.263 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -109.46 141.77 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 127.702 3.127 . . . . 0.0 109.156 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.5 p -101.11 139.92 36.12 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 117.014 -1.874 . . . . 0.0 108.434 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.6 154.04 44.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 115.48 -2.2 . . . . 0.0 108.305 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.8 121.14 44.26 Favored 'General case' 0 N--CA 1.495 1.812 1 O-C-N 129.341 4.15 . . . . 0.0 103.52 174.086 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.06 170.57 15.92 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 O-C-N 127.841 3.213 . . . . 0.0 111.29 -177.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -119.98 144.65 38.0 Favored Pre-proline 0 C--N 1.313 -0.987 0 CA-C-N 112.14 -2.3 . . . . 0.0 106.349 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -54.93 -24.69 40.39 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 C-N-CA 122.72 2.28 . . . . 0.0 111.531 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -79.94 -8.15 59.17 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.943 -177.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.04 148.47 47.53 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.336 -1.745 . . . . 0.0 109.761 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.81 160.47 21.19 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 175.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.432 HD12 HD12 ' B' ' 50' ' ' LEU . 8.4 mm -61.38 -36.88 75.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 127.0 2.688 . . . . 0.0 110.367 175.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.07 -42.97 77.5 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 120.399 -1.438 . . . . 0.0 111.018 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -64.37 -44.58 90.94 Favored 'General case' 0 C--O 1.25 1.124 0 C-N-CA 124.246 1.018 . . . . 0.0 111.471 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 t -58.56 -46.35 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.314 -1.312 . . . . 0.0 108.956 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -60.66 -38.04 83.55 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.848 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.96 86.55 Favored 'General case' 0 C--O 1.277 2.515 0 O-C-N 123.451 0.47 . . . . 0.0 111.345 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -64.03 -37.4 87.3 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 120.51 -1.369 . . . . 0.0 110.888 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.5 mt -69.73 -39.76 78.39 Favored 'Isoleucine or valine' 0 C--O 1.254 1.3 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -61.94 -48.8 78.77 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 125.534 2.588 . . . . 0.0 109.045 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -41.84 66.3 Favored 'General case' 0 C--O 1.257 1.499 0 CA-C-N 113.651 -1.613 . . . . 0.0 111.887 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.326 1.8 tppp? -93.29 -24.45 18.14 Favored 'General case' 0 C--O 1.279 2.647 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.58 -6.31 8.09 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 122.886 2.585 . . . . 0.0 113.789 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.66 90.0 Favored Glycine 0 CA--C 1.477 -2.287 0 N-CA-C 118.762 2.265 . . . . 0.0 118.762 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.441 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 63.7 mt -79.96 124.97 82.84 Favored Pre-proline 0 C--O 1.243 0.727 0 C-N-CA 118.695 -1.202 . . . . 0.0 111.011 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.4 Cg_exo -57.08 136.9 79.36 Favored 'Trans proline' 0 C--O 1.256 1.407 0 C-N-CA 123.015 2.476 . . . . 0.0 110.924 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.19 -32.14 92.64 Favored 'Trans proline' 0 C--O 1.261 1.661 0 O-C-N 123.028 1.015 . . . . 0.0 113.453 -179.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -68.29 -15.63 63.64 Favored 'General case' 0 C--O 1.266 1.945 0 O-C-N 119.906 -1.746 . . . . 0.0 112.13 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.658 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 11.7 mm100 -95.42 -10.69 29.21 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 120.447 -1.408 . . . . 0.0 112.286 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -84.79 129.68 34.78 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 124.252 1.977 . . . . 0.0 115.728 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -121.21 116.09 24.26 Favored 'General case' 0 C--O 1.299 3.697 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 172.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.57 130.28 50.97 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 119.533 1.06 . . . . 0.0 110.003 -177.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.639 ' C ' ' CD1' ' B' ' 45' ' ' PHE . 2.3 mt -122.09 131.64 72.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 O-C-N 125.14 1.525 . . . . 0.0 112.003 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 1.003 ' O ' ' OH ' ' B' ' 59' ' ' TYR . 0.0 OUTLIER -144.24 129.82 19.07 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 177.504 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.95 19.56 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 111.967 -2.379 . . . . 0.0 110.649 177.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.9 20.25 59.71 Favored Glycine 0 C--N 1.3 -1.462 0 C-N-CA 128.207 2.813 . . . . 0.0 117.32 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.564 ' HB2' ' CE1' ' B' ' 59' ' ' TYR . 7.7 mtp180 -109.96 143.77 39.45 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 115.344 -2.265 . . . . 0.0 110.96 174.137 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.14 130.32 34.57 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 103.991 -2.596 . . . . 0.0 103.991 173.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.441 ' CD2' ' CD1' ' B' ' 45' ' ' PHE . 1.1 mm? -79.62 138.48 37.43 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 117.674 -1.155 . . . . 0.0 110.068 -175.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -101.91 139.99 36.8 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 125.18 1.55 . . . . 0.0 109.957 -177.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.412 ' HA ' HG22 ' B' ' 23' ' ' ILE . 0.5 OUTLIER -48.32 -41.97 29.82 Favored 'General case' 0 C--O 1.263 1.768 0 N-CA-C 120.738 3.607 . . . . 0.0 120.738 -175.704 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.24 -8.52 85.23 Favored Glycine 0 CA--C 1.492 -1.353 0 N-CA-C 116.025 1.17 . . . . 0.0 116.025 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -85.65 165.35 17.08 Favored 'General case' 0 C--O 1.25 1.089 0 O-C-N 120.12 -1.812 . . . . 0.0 107.95 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 34.8 p -104.44 164.57 11.65 Favored 'General case' 0 C--N 1.313 -1.022 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 177.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -36.3 79.53 Favored 'General case' 0 C--O 1.201 -1.471 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.3 m -63.68 -29.76 70.94 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.234 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.63 -39.08 70.35 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.518 1.151 . . . . 0.0 110.817 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 1.003 ' OH ' ' O ' ' B' ' 45' ' ' PHE . 14.5 t80 -91.06 4.51 51.93 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.876 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.92 45.38 18.34 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.759 2.072 . . . . 0.0 111.303 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.4 mt -88.78 116.24 30.07 Favored 'Isoleucine or valine' 0 C--O 1.271 2.196 0 CA-C-O 115.054 -2.403 . . . . 0.0 106.305 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.32 169.62 8.44 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 126.152 2.158 . . . . 0.0 109.759 -176.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 123.106 1.431 . . . . 0.0 109.217 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 66.94 19.17 10.63 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 174.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.4 t -118.94 126.62 52.19 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 118.189 -0.91 . . . . 0.0 108.829 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' B' ' 5' ' ' VAL . 0.0 OUTLIER -103.15 154.54 19.2 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 114.719 -2.562 . . . . 0.0 105.767 174.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -105.52 135.79 46.27 Favored 'General case' 0 C--N 1.283 -2.308 0 O-C-N 127.525 3.016 . . . . 0.0 105.734 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -107.18 115.78 30.77 Favored 'General case' 0 C--O 1.283 2.816 0 CA-C-O 117.639 -1.172 . . . . 0.0 111.42 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t -108.02 139.88 28.51 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 103.506 -2.776 . . . . 0.0 103.506 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.658 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.44 0.37 Allowed 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.079 0.466 . . . . 0.0 109.834 178.367 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.445 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.5 OUTLIER 159.81 158.66 0.01 OUTLIER 'General case' 0 C--N 1.277 -2.546 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.48 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.6 mt -155.01 88.38 1.17 Allowed 'General case' 0 C--N 1.293 -1.859 0 O-C-N 125.793 1.933 . . . . 0.0 109.667 179.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 47.35 34.14 3.08 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 113.835 -1.529 . . . . 0.0 108.726 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.24 84.67 0.04 OUTLIER Glycine 0 C--O 1.245 0.804 0 CA-C-N 114.852 -1.067 . . . . 0.0 115.18 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.507 0 CA-C-O 116.626 -2.208 . . . . 0.0 108.31 179.119 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 95.8 p . . . . . 0 CA--C 1.512 -0.505 0 CA-C-O 121.97 0.89 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -68.75 151.02 47.2 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 119.103 -2.248 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -172.25 106.47 0.19 Allowed 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.745 2.018 . . . . 0.0 110.639 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -89.09 137.88 31.92 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.535 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 75.3 mt -70.19 -39.59 75.12 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.646 0.736 . . . . 0.0 111.873 172.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 39.0 t -144.3 136.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 125.197 1.399 . . . . 0.0 107.464 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.37 148.06 34.22 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.59 165.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -161.06 155.18 22.74 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.248 0.968 . . . . 0.0 111.242 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.21 127.81 33.72 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.316 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.22 147.71 6.69 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.048 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.83 25.08 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.276 -1.929 . . . . 0.0 108.276 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.07 -179.25 3.8 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' MET . . . . . 0.761 ' HG2' ' HB3' ' C' ' 106' ' ' PHE . 0.0 OUTLIER -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' SER . . . . . 0.508 ' N ' ' SD ' ' C' ' 31' ' ' MET . 26.0 t -136.64 156.57 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.108 -1.437 . . . . 0.0 108.781 177.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.78 116.1 28.72 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -112.28 115.82 29.39 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 172.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.32 -116.05 8.61 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 11.6 t -113.97 14.52 18.46 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.378 -0.411 . . . . 0.0 109.958 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -112.01 122.51 47.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -172.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 35.2 m -76.14 119.97 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 174.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 54.5 m -124.14 119.37 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.161 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.86 134.79 59.21 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 117.959 -0.894 . . . . 0.0 111.855 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -85.81 132.21 34.16 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 172.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -11.3 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -172.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 144.39 56.16 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 171.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . 0.451 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.29 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.299 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -128.41 124.38 36.15 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 65.9 t -91.03 137.59 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 164.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -151.94 157.85 42.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.918 0.866 . . . . 0.0 113.041 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 55.3 mt -118.8 131.05 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 113.577 -1.647 . . . . 0.0 108.341 174.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -133.98 137.6 44.9 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.348 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -100.23 122.01 42.37 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 170.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 67.8 p -84.01 171.17 13.2 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.268 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -71.58 -10.44 59.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.677 -0.809 . . . . 0.0 113.165 -170.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.85 -1.35 3.09 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.419 1.487 . . . . 0.0 114.671 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mp -74.83 149.9 39.46 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.124 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 4.1 mm -102.21 129.02 54.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.6 m170 -117.56 125.34 50.64 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -176.578 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -98.75 118.96 36.67 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 171.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 29.8 m -127.71 156.92 41.63 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.55 128.21 40.65 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.554 -1.657 . . . . 0.0 108.715 169.371 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -120.59 134.27 55.3 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.805 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.18 115.3 13.52 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 173.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -64.03 -32.39 73.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 80.8 p -72.53 -46.1 56.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 1.3 p -91.49 -20.48 21.69 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.597 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.74 60.89 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.723 -171.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -72.48 129.99 39.62 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.17 109.16 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.51 -28.83 15.24 Favored 'General case' 0 C--O 1.206 -1.236 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.984 -171.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -122.02 135.53 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.838 0.828 . . . . 0.0 109.386 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.97 103.3 2.39 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.02 123.25 45.23 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.259 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mt -75.87 124.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.391 1.091 . . . . 0.0 111.661 168.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 47.5 mm -122.97 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.381 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.607 -174.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -101.29 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 124.36 1.038 . . . . 0.0 110.861 173.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.33 133.91 58.37 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.861 2.374 . . . . 0.0 111.371 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.57 6.72 5.85 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -175.684 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -70.29 -33.7 71.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 119.008 0.822 . . . . 0.0 109.617 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -154.87 168.14 27.9 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.477 -1.289 . . . . 0.0 113.601 -173.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -133.41 139.34 46.7 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.468 -1.696 . . . . 0.0 106.998 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -106.79 124.17 49.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.51 156.53 42.57 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -177.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -67.85 142.9 55.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.01 -0.995 . . . . 0.0 108.408 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . 0.658 ' HB ' HG21 ' C' ' 93' ' ' VAL . 2.6 t -94.33 98.39 2.93 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -61.0 -32.0 91.87 Favored 'Trans proline' 0 N--CA 1.476 0.45 0 N-CA-C 117.796 2.191 . . . . 0.0 117.796 -167.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -91.09 8.61 34.67 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.207 -164.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -85.07 119.6 72.66 Favored Pre-proline 0 CA--C 1.516 -0.351 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.92 -19.91 34.07 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.033 1.018 . . . . 0.0 114.425 -173.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -34.66 78.8 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.399 0.545 . . . . 0.0 110.06 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.51 13.0 64.84 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.529 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -121.0 17.11 11.71 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . 0.658 HG21 ' HB ' ' C' ' 85' ' ' VAL . 24.7 m -97.07 133.43 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 173.665 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -125.06 151.77 45.21 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 125.552 1.783 . . . . 0.0 110.43 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.93 135.4 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.52 108.08 20.29 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -109.21 125.11 51.88 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -171.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -84.74 115.7 22.84 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.066 0.854 . . . . 0.0 109.199 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 -25.16 68.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.353 -169.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.34 115.18 28.86 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 173.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.89 172.41 27.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 -172.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 102' ' ' SER . . . . . 0.416 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 0.1 OUTLIER -91.42 9.06 33.31 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.042 -0.681 . . . . 0.0 110.562 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 tppm? -70.7 129.17 38.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 117.928 -1.509 . . . . 0.0 110.496 -165.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.8 46.19 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.94 175.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 61.5 mt -124.51 126.12 45.33 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 171.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . 0.761 ' HB3' ' HG2' ' C' ' 31' ' ' MET . 0.1 OUTLIER -100.83 143.67 30.7 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 124.674 1.234 . . . . 0.0 110.289 -177.515 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . 0.49 ' N ' ' CD1' ' C' ' 106' ' ' PHE . 82.4 m-85 -137.09 156.68 48.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.262 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 17.4 t90 -131.43 126.55 35.41 Favored 'General case' 0 N--CA 1.419 -1.993 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.389 175.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 15.1 mmt -62.66 137.82 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.278 -174.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -118.91 3.96 11.5 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.216 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.31 135.86 93.87 Favored Pre-proline 0 C--O 1.265 1.913 0 CA-C-O 123.058 1.408 . . . . 0.0 108.665 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.21 -41.41 42.84 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.636 -1.109 . . . . 0.0 112.426 -174.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.6 p -83.4 -9.27 59.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.231 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -53.54 -33.84 56.05 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.389 0.676 . . . . 0.0 112.797 -169.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -103.26 5.97 37.84 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -56.95 -48.8 77.47 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 118.983 -1.087 . . . . 0.0 110.212 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.87 -32.16 70.38 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 119.396 -0.922 . . . . 0.0 110.511 -173.372 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -67.38 -44.0 79.99 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 175.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -55.6 -45.91 77.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.025 -1.047 . . . . 0.0 112.264 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . 0.726 ' O ' ' CG1' ' C' ' 124' ' ' VAL . 0.0 OUTLIER -60.61 -43.0 97.94 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.705 0.765 . . . . 0.0 110.336 179.035 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -61.98 -43.47 98.77 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.05 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -42.37 96.66 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . 0.726 ' CG1' ' O ' ' C' ' 121' ' ' CYS . 1.4 p -52.27 -51.92 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.42 175.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 5.0 t-20 -60.34 -39.47 87.21 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.29 -45.97 82.27 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.526 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -79.09 -24.42 43.47 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.35 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.497 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.04 -36.14 41.52 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.794 -0.763 . . . . 0.0 112.24 174.511 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . 0.497 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.74 -11.07 14.44 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -168.581 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -141.18 71.93 27.29 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 169.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.28 167.59 19.35 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 121.592 1.528 . . . . 0.0 111.58 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--N 1.29 -2.522 0 C-N-CA 122.497 2.131 . . . . 0.0 111.656 179.87 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mmm . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -91.12 138.21 31.77 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 126.824 2.577 . . . . 0.0 108.936 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -131.27 163.03 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.361 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.99 140.18 49.51 Favored 'General case' 0 N--CA 1.513 2.695 1 O-C-N 130.543 4.902 . . . . 0.0 108.725 179.694 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.536 ' HB ' HD22 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -118.01 114.21 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-O 113.357 -3.211 . . . . 0.0 105.591 175.745 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.707 ' O ' HD23 ' A' ' 69' ' ' LEU . 3.7 tptt -95.22 127.58 41.38 Favored 'General case' 0 N--CA 1.505 2.3 1 O-C-N 129.422 4.201 . . . . 0.0 107.932 -178.174 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -99.64 170.84 8.3 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.314 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.38 -6.99 49.78 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.057 0.848 . . . . 0.0 112.65 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -101.58 15.1 29.95 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 115.711 -2.395 . . . . 0.0 111.965 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.31 16.83 80.09 Favored Glycine 0 C--N 1.296 -1.644 0 O-C-N 120.222 -1.549 . . . . 0.0 116.033 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 138.18 34.49 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 174.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.08 131.65 55.16 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.624 2.453 . . . . 0.0 105.913 176.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.7 mm -109.57 141.91 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 127.678 3.111 . . . . 0.0 108.884 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.3 p -101.39 139.68 36.71 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 117.162 -1.815 . . . . 0.0 108.151 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mt -126.41 154.08 44.11 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 115.434 -2.222 . . . . 0.0 108.371 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -111.88 121.03 43.92 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.293 4.12 . . . . 0.0 103.63 174.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 m -138.92 170.69 15.89 Favored 'Isoleucine or valine' 0 C--O 1.255 1.382 0 O-C-N 127.529 3.018 . . . . 0.0 111.222 -177.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -119.97 144.44 37.51 Favored Pre-proline 0 C--N 1.315 -0.929 0 CA-C-N 112.35 -2.204 . . . . 0.0 106.3 174.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -54.96 -24.28 38.69 Favored 'Trans proline' 0 C--N 1.322 -0.862 0 C-N-CA 122.445 2.096 . . . . 0.0 112.008 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 p -80.09 -8.07 59.2 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.905 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.05 148.44 47.55 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 117.457 -1.697 . . . . 0.0 109.835 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -83.81 160.49 21.19 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.559 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -61.45 -37.04 76.83 Favored 'Isoleucine or valine' 0 C--O 1.245 0.832 0 O-C-N 127.155 2.784 . . . . 0.0 110.253 175.871 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.61 -40.23 78.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.384 -0.823 . . . . 0.0 110.7 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.23 -41.98 80.44 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 121.828 -0.545 . . . . 0.0 110.96 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.18 -46.42 88.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -60.91 -37.83 83.62 Favored 'General case' 0 C--O 1.259 1.585 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.678 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.15 87.39 Favored 'General case' 0 C--O 1.277 2.502 0 CA-C-N 118.116 0.417 . . . . 0.0 111.142 176.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -64.05 -37.49 87.63 Favored 'General case' 0 C--O 1.253 1.287 0 CA-C-O 123.087 1.423 . . . . 0.0 110.721 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -39.52 77.51 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.26 -48.71 78.7 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 125.539 2.59 . . . . 0.0 109.078 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.23 -41.77 65.72 Favored 'General case' 0 C--O 1.253 1.239 0 CA-C-N 113.415 -1.72 . . . . 0.0 111.925 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 0.0 OUTLIER -93.63 -24.16 18.0 Favored 'General case' 0 C--O 1.281 2.756 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -175.854 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.44 -6.47 8.17 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 123.132 2.696 . . . . 0.0 114.252 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.76 89.93 Favored Glycine 0 CA--C 1.478 -2.254 0 N-CA-C 118.916 2.327 . . . . 0.0 118.916 176.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 39.0 mt -79.77 124.71 83.3 Favored Pre-proline 0 C--O 1.244 0.813 0 C-N-CA 118.908 -1.117 . . . . 0.0 110.936 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -56.88 136.84 78.83 Favored 'Trans proline' 0 C--O 1.257 1.468 0 C-N-CA 123.317 2.678 . . . . 0.0 110.877 178.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -57.17 -31.97 92.1 Favored 'Trans proline' 0 C--O 1.263 1.765 0 O-C-N 123.031 1.016 . . . . 0.0 113.665 -179.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -15.4 63.53 Favored 'General case' 0 C--O 1.262 1.717 0 O-C-N 119.787 -1.821 . . . . 0.0 112.235 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.89 -10.33 29.08 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 120.639 -1.288 . . . . 0.0 112.026 178.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.85 129.61 34.79 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 124.305 2.002 . . . . 0.0 115.754 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.06 116.02 24.23 Favored 'General case' 0 C--O 1.299 3.686 0 N-CA-C 104.983 -2.229 . . . . 0.0 104.983 171.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.404 ' O ' ' HG ' ' A' ' 50' ' ' LEU . 1.4 mp -103.48 130.21 50.79 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 119.504 1.047 . . . . 0.0 109.962 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.11 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.844 0 O-C-N 125.183 1.552 . . . . 0.0 111.846 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -144.36 129.52 18.66 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.18 19.42 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.283 -2.235 . . . . 0.0 110.704 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 21.8 60.83 Favored Glycine 0 N--CA 1.432 -1.578 0 C-N-CA 128.674 3.035 . . . . 0.0 117.459 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.09 142.84 46.1 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -85.9 130.22 34.61 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 103.764 -2.68 . . . . 0.0 103.764 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 23' ' ' ILE . 4.9 mt -79.5 138.15 37.45 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 117.705 -1.14 . . . . 0.0 110.139 -175.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.68 140.08 36.46 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.087 1.492 . . . . 0.0 109.974 -177.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.559 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 40.2 m-20 -47.97 -42.56 27.99 Favored 'General case' 0 C--O 1.264 1.819 0 N-CA-C 120.8 3.63 . . . . 0.0 120.8 -175.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.58 -8.87 85.52 Favored Glycine 0 CA--C 1.489 -1.549 0 N-CA-C 116.274 1.27 . . . . 0.0 116.274 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.458 ' O ' HG13 ' A' ' 23' ' ' ILE . 5.7 mmt-85 -85.46 165.4 17.19 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 119.735 -2.038 . . . . 0.0 107.993 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.1 p -104.5 164.86 11.45 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.64 -36.04 79.65 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.0 p -64.17 -29.38 70.5 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 117.284 -1.766 . . . . 0.0 112.182 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.57 -39.6 70.88 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 122.314 1.054 . . . . 0.0 110.59 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -90.78 4.7 50.93 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 117.704 -1.141 . . . . 0.0 112.977 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.0 45.22 18.34 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.643 2.019 . . . . 0.0 111.243 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.7 mt -88.62 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.266 1.973 0 CA-C-O 115.087 -2.387 . . . . 0.0 106.246 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.51 169.7 8.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 126.159 2.162 . . . . 0.0 109.348 -176.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -54.93 142.89 27.97 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 123.24 1.495 . . . . 0.0 109.117 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 67.18 19.06 10.4 Favored 'General case' 0 C--O 1.254 1.298 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 179.315 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -71.12 159.63 34.35 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.25 126.74 52.21 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 118.239 -0.886 . . . . 0.0 108.76 175.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.13 154.51 19.22 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 114.776 -2.535 . . . . 0.0 105.649 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.408 ' C ' HD13 ' A' ' 69' ' ' LEU . 1.8 m-70 -105.59 135.6 46.71 Favored 'General case' 0 C--N 1.286 -2.153 0 O-C-N 127.387 2.93 . . . . 0.0 105.918 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.707 HD23 ' O ' ' A' ' 6' ' ' LYS . 0.5 OUTLIER -106.87 115.78 30.79 Favored 'General case' 0 C--O 1.285 2.969 0 CA-C-O 117.617 -1.183 . . . . 0.0 111.445 176.701 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.1 t -108.0 139.88 28.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 103.62 -2.733 . . . . 0.0 103.62 174.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.01 138.95 32.91 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.283 0.564 . . . . 0.0 109.856 178.242 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 141.52 30.87 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-O 113.12 -3.324 . . . . 0.0 105.611 178.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.11 154.4 1.59 Allowed 'General case' 0 C--N 1.29 -2.01 0 O-C-N 125.867 1.98 . . . . 0.0 109.553 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -131.45 -66.35 0.73 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-N 113.691 -1.595 . . . . 0.0 108.862 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.42 -137.35 3.78 Favored Glycine 0 C--O 1.246 0.867 0 CA-C-N 114.537 -1.21 . . . . 0.0 115.113 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.478 0 N-CA-C 108.253 -1.939 . . . . 0.0 108.253 179.395 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.98 138.51 31.55 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 127.194 2.809 . . . . 0.0 108.818 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.0 pt -131.2 163.04 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 CA-C-O 115.793 -2.051 . . . . 0.0 105.886 173.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.92 140.16 49.52 Favored 'General case' 0 N--CA 1.514 2.757 1 O-C-N 130.585 4.928 . . . . 0.0 108.611 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.453 ' HA ' ' HG ' ' B' ' 67' ' ' LEU . 0.2 OUTLIER -117.97 114.13 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-O 113.482 -3.151 . . . . 0.0 105.71 175.537 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -95.12 127.72 41.39 Favored 'General case' 0 N--CA 1.501 2.106 1 O-C-N 129.133 4.021 . . . . 0.0 108.194 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.69 170.81 8.31 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.249 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -7.05 49.98 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 124.128 0.893 . . . . 0.0 112.852 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.14 14.82 30.74 Favored 'General case' 0 N--CA 1.506 2.364 0 C-N-CA 115.685 -2.406 . . . . 0.0 112.027 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.56 80.18 Favored Glycine 0 C--N 1.295 -1.713 0 O-C-N 120.271 -1.518 . . . . 0.0 116.103 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -96.21 137.9 34.6 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.5 t -119.86 131.89 55.4 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 126.419 2.324 . . . . 0.0 106.209 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.48 141.76 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 127.777 3.173 . . . . 0.0 109.13 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -101.21 139.91 36.24 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 116.958 -1.897 . . . . 0.0 108.343 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mp -126.53 154.05 44.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 115.401 -2.238 . . . . 0.0 108.45 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -111.82 121.24 44.51 Favored 'General case' 0 N--CA 1.496 1.831 1 O-C-N 129.261 4.101 . . . . 0.0 103.542 174.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.05 170.64 15.83 Favored 'Isoleucine or valine' 0 C--O 1.253 1.267 0 O-C-N 127.79 3.181 . . . . 0.0 111.157 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -120.1 144.62 38.13 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 112.079 -2.328 . . . . 0.0 106.306 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -54.81 -24.88 40.3 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 122.742 2.295 . . . . 0.0 111.532 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -8.2 59.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.913 -177.251 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.09 148.5 47.41 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 117.279 -1.769 . . . . 0.0 109.758 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.8 p -83.8 160.47 21.2 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.47 -36.7 74.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 126.906 2.629 . . . . 0.0 110.398 175.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.768 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.14 -42.94 77.72 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 120.355 -1.466 . . . . 0.0 111.008 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -64.46 -44.47 90.98 Favored 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.215 1.006 . . . . 0.0 111.415 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.68 -46.28 90.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.894 1.371 . . . . 0.0 108.948 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -60.65 -38.05 83.56 Favored 'General case' 0 C--O 1.255 1.377 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.864 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.97 86.62 Favored 'General case' 0 C--O 1.277 2.504 0 O-C-N 123.414 0.446 . . . . 0.0 111.35 176.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -37.39 87.24 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 120.505 -1.372 . . . . 0.0 110.892 175.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 15.7 mt -69.83 -39.75 78.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.319 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -48.91 78.35 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 125.502 2.572 . . . . 0.0 108.923 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -53.38 -41.77 66.24 Favored 'General case' 0 C--O 1.256 1.428 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.853 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 0.0 OUTLIER -93.44 -24.37 18.06 Favored 'General case' 0 C--O 1.28 2.697 0 N-CA-C 117.182 2.29 . . . . 0.0 117.182 -175.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.6 -6.3 8.08 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 122.906 2.594 . . . . 0.0 113.792 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.63 90.02 Favored Glycine 0 CA--C 1.476 -2.402 0 N-CA-C 118.767 2.267 . . . . 0.0 118.767 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.444 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 26.6 mt -79.85 125.01 83.01 Favored Pre-proline 0 C--O 1.243 0.712 0 C-N-CA 118.673 -1.211 . . . . 0.0 111.04 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 79.7 Cg_exo -57.1 137.03 80.07 Favored 'Trans proline' 0 C--O 1.257 1.429 0 C-N-CA 122.952 2.435 . . . . 0.0 110.91 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -57.25 -32.17 92.86 Favored 'Trans proline' 0 C--O 1.26 1.618 0 O-C-N 123.09 1.047 . . . . 0.0 113.366 -179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -68.36 -15.49 63.58 Favored 'General case' 0 C--O 1.265 1.874 0 O-C-N 120.035 -1.665 . . . . 0.0 112.155 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -10.63 29.12 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.497 -1.377 . . . . 0.0 112.201 178.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -84.88 129.65 34.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 124.246 1.974 . . . . 0.0 115.717 -177.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -121.1 116.11 24.37 Favored 'General case' 0 C--O 1.298 3.639 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 172.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.7 mt -103.58 130.2 50.97 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 119.474 1.034 . . . . 0.0 110.025 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.575 ' C ' ' CD1' ' B' ' 45' ' ' PHE . 0.1 OUTLIER -121.84 131.55 72.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.68 0 O-C-N 125.159 1.537 . . . . 0.0 112.109 -177.578 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.722 ' N ' ' CD1' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.17 129.78 19.11 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.426 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 45.93 19.78 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 112.068 -2.333 . . . . 0.0 110.719 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 20.26 59.55 Favored Glycine 0 C--N 1.297 -1.591 0 C-N-CA 128.352 2.882 . . . . 0.0 117.346 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -109.88 143.79 39.28 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 115.391 -2.243 . . . . 0.0 110.921 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.1 130.3 34.56 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 104.068 -2.568 . . . . 0.0 104.068 173.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.415 ' HB2' ' CE1' ' B' ' 45' ' ' PHE . 0.8 OUTLIER -79.59 138.48 37.47 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 117.54 -1.219 . . . . 0.0 110.049 -175.797 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -101.94 140.04 36.76 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 125.302 1.626 . . . . 0.0 109.958 -177.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.768 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.4 OUTLIER -48.31 -42.01 29.82 Favored 'General case' 0 C--O 1.261 1.708 0 N-CA-C 120.756 3.613 . . . . 0.0 120.756 -175.744 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.58 85.1 Favored Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.61 165.26 17.17 Favored 'General case' 0 C--O 1.249 1.061 0 O-C-N 120.14 -1.8 . . . . 0.0 108.006 176.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 22.1 p -104.26 164.53 11.66 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.05 -36.52 79.79 Favored 'General case' 0 C--O 1.2 -1.51 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 72.5 p -63.57 -29.78 70.98 Favored 'General case' 0 C--O 1.266 1.96 0 C-N-CA 117.257 -1.777 . . . . 0.0 112.227 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -38.91 70.24 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 122.582 1.182 . . . . 0.0 110.899 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -91.17 4.5 52.08 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.631 -1.176 . . . . 0.0 112.912 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.92 45.43 18.27 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 121.687 2.04 . . . . 0.0 111.241 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.5 mm -88.71 116.29 30.12 Favored 'Isoleucine or valine' 0 C--O 1.27 2.171 0 CA-C-O 114.979 -2.439 . . . . 0.0 106.25 175.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 126.183 2.177 . . . . 0.0 109.706 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -54.86 142.93 27.49 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 123.178 1.465 . . . . 0.0 109.315 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.07 19.03 10.54 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.871 2.545 . . . . 0.0 117.871 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 6.1 t -71.04 159.63 34.39 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.04 126.62 52.12 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 118.165 -0.921 . . . . 0.0 108.776 175.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.497 ' CB ' ' CE2' ' B' ' 45' ' ' PHE . 1.5 pp -103.24 154.54 19.24 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 114.795 -2.526 . . . . 0.0 105.715 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.401 ' O ' HG22 ' B' ' 44' ' ' ILE . 0.9 OUTLIER -105.53 135.75 46.37 Favored 'General case' 0 C--N 1.284 -2.246 0 O-C-N 127.522 3.014 . . . . 0.0 105.742 178.011 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.04 115.8 30.82 Favored 'General case' 0 C--O 1.283 2.868 0 CA-C-O 117.696 -1.145 . . . . 0.0 111.462 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 46.3 t -108.05 139.97 28.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 103.449 -2.797 . . . . 0.0 103.449 175.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.443 ' C ' ' CD2' ' B' ' 71' ' ' LEU . 3.3 tt -96.2 -83.49 0.37 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.404 ' HA ' ' HA2' ' C' ' 101' ' ' GLY . 9.0 ttp85 173.78 -89.23 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.577 0 CA-C-O 113.4 -3.19 . . . . 0.0 105.405 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 mt 57.45 36.47 27.06 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 125.699 1.874 . . . . 0.0 109.665 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.35 -171.13 1.9 Allowed 'General case' 0 C--O 1.242 0.669 0 CA-C-N 113.826 -1.534 . . . . 0.0 108.705 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.59 59.16 0.03 OUTLIER Glycine 0 C--O 1.245 0.782 0 CA-C-N 114.851 -1.068 . . . . 0.0 115.185 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.481 0 CA-C-O 116.504 -2.275 . . . . 0.0 108.347 178.883 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 121.838 0.827 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 58.03 66.43 1.11 Allowed 'General case' 0 C--N 1.289 -2.064 0 O-C-N 119.119 -2.238 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.34 -64.11 1.26 Allowed 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 126.833 2.053 . . . . 0.0 110.628 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.06 137.95 31.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.536 -178.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.25 -39.57 74.95 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.662 0.744 . . . . 0.0 111.885 172.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 t -144.39 136.1 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 125.164 1.386 . . . . 0.0 107.413 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -144.29 148.12 34.41 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.574 165.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -161.05 155.19 22.79 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 124.222 0.951 . . . . 0.0 111.181 173.126 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.23 127.8 33.69 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.336 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.17 147.77 6.78 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.07 0.938 . . . . 0.0 110.057 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.92 25.14 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -179.27 3.79 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' MET . . . . . 0.551 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.13 161.04 37.22 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' SER . . . . . 0.551 ' N ' ' HG2' ' C' ' 31' ' ' MET . 12.5 p -136.66 156.56 48.37 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.042 -1.463 . . . . 0.0 108.75 177.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 mp -92.74 116.16 28.77 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -112.37 115.8 29.31 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -113.99 14.49 18.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.903 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -111.99 122.55 48.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 35.2 m -76.14 120.03 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 174.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 59.4 m -124.05 119.31 26.6 Favored Pre-proline 0 C--O 1.245 0.846 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.216 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.89 134.9 59.76 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 CA-C-O 122.38 0.908 . . . . 0.0 111.828 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.77 132.15 34.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -11.24 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -172.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -67.12 144.44 56.08 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -173.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -68.15 125.55 26.73 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.3 171.35 21.52 Favored Glycine 0 C--N 1.317 -0.519 0 CA-C-O 123.2 1.445 . . . . 0.0 115.377 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 15.0 tp -128.44 124.37 36.06 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 175.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 45.4 t -91.03 137.52 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 164.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -151.84 157.8 42.38 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.991 0.9 . . . . 0.0 113.055 175.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 9.3 mt -118.86 131.07 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.572 -1.649 . . . . 0.0 108.327 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -134.05 137.6 44.78 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.38 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -100.18 122.06 42.42 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 170.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 14.7 p -83.97 171.08 13.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.321 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -10.37 59.66 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -170.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.71 7.43 14.95 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.283 -0.167 . . . . 0.0 111.003 170.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t 73.91 -1.35 3.09 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.387 1.475 . . . . 0.0 114.724 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.87 149.93 39.37 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 122.226 1.013 . . . . 0.0 113.082 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -102.24 129.15 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.116 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 12.3 m-70 -117.65 125.35 50.57 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -176.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -98.84 118.94 36.73 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 171.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 93.4 m -127.62 156.9 41.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -171.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -130.55 128.19 40.62 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.715 169.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -120.63 134.34 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.753 -176.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.21 115.31 13.57 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 173.337 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -64.01 -32.45 74.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 73.9 p -72.45 -46.17 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -175.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.46 -20.47 21.73 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.512 -176.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 2.72 60.53 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 39.5 t -84.19 109.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -94.52 -28.87 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.947 -171.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -121.94 135.6 54.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.808 0.813 . . . . 0.0 109.413 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -155.06 103.32 2.38 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 104.471 -2.418 . . . . 0.0 104.471 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.08 123.23 45.12 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.236 -174.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 23.7 pt -75.82 124.34 33.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.399 1.095 . . . . 0.0 111.661 168.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 16.1 mm -123.0 130.32 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.36 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.569 -174.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.26 159.05 30.58 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.498 1.124 . . . . 0.0 110.866 173.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.37 133.89 58.41 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.932 2.421 . . . . 0.0 111.282 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.54 6.79 5.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -175.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.36 -33.67 71.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.975 0.807 . . . . 0.0 109.543 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 26.6 p -154.9 168.22 27.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.481 -1.288 . . . . 0.0 113.639 -173.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -133.52 139.21 46.5 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.002 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -106.68 124.21 49.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -148.58 156.48 42.47 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -67.83 142.82 56.04 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.966 -1.015 . . . . 0.0 108.344 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 45.5 t -94.19 98.34 2.84 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 171.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -61.08 -31.95 91.21 Favored 'Trans proline' 0 C--N 1.328 -0.527 0 N-CA-C 117.745 2.171 . . . . 0.0 117.745 -167.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -91.05 8.6 34.65 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 117.868 -1.533 . . . . 0.0 112.236 -164.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 24.8 p -85.06 119.67 72.75 Favored Pre-proline 0 CA--C 1.515 -0.404 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.94 -19.92 34.22 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.425 -173.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 5.0 m -65.51 -34.61 78.68 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.406 0.548 . . . . 0.0 110.062 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.45 13.03 64.76 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.57 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -120.98 17.14 11.73 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . 0.42 HG22 ' CE3' ' C' ' 108' ' ' TRP . 16.3 t -97.14 133.53 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -125.1 151.77 45.26 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.514 1.759 . . . . 0.0 110.36 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 8.2 p -127.01 135.36 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -95.49 108.15 20.36 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.28 125.2 52.04 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -171.097 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -84.79 115.64 22.83 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 124.154 0.909 . . . . 0.0 109.222 176.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -63.41 -25.18 68.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.412 -169.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.22 115.1 28.78 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' B' ' 72' ' ' ARG . . . 102.0 172.44 27.6 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -172.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 6.8 m -91.4 9.01 33.49 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 122.042 -0.681 . . . . 0.0 110.497 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -70.56 129.22 38.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.614 -165.033 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 141.81 46.05 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.869 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.58 126.18 45.37 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 171.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . 0.425 ' HB2' ' SD ' ' C' ' 31' ' ' MET . 30.8 m-85 -100.87 143.73 30.66 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.68 1.237 . . . . 0.0 110.339 -177.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' C' ' 108' ' ' TRP . 92.6 m-85 -137.17 156.61 48.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.233 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . 0.478 ' CD1' ' C ' ' C' ' 107' ' ' PHE . 1.7 m0 -131.4 126.67 35.76 Favored 'General case' 0 N--CA 1.419 -1.979 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.45 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 109' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' C' ' 109' ' ' MET . 4.8 tmm? -62.7 137.78 58.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.272 -174.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -118.86 3.93 11.54 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.274 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . 0.431 ' O ' ' SD ' ' C' ' 109' ' ' MET . 8.8 tp10 -61.33 135.89 93.91 Favored Pre-proline 0 C--O 1.264 1.838 0 CA-C-O 123.165 1.46 . . . . 0.0 108.628 173.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.32 -41.27 42.99 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.559 -1.161 . . . . 0.0 112.447 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.12 146.96 24.22 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.513 173.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 11.9 t -83.53 -9.18 59.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.137 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -53.64 -33.75 56.24 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 123.37 0.668 . . . . 0.0 112.786 -169.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.23 5.81 37.83 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -174.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.307 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -69.84 -32.28 70.6 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.505 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -44.02 80.35 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-O 120.836 0.35 . . . . 0.0 110.949 175.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -55.59 -45.91 77.34 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.029 -1.044 . . . . 0.0 112.322 173.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 27.0 t -60.58 -43.08 97.73 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.712 0.768 . . . . 0.0 110.333 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -43.43 98.86 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.079 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -64.2 -42.32 96.7 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 15.8 t -52.23 -51.94 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.406 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -60.35 -39.53 87.48 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.773 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -45.94 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.477 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -79.07 -24.49 43.48 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.482 -0.887 . . . . 0.0 112.325 -174.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.485 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.07 -36.1 41.4 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.791 -0.764 . . . . 0.0 112.19 174.562 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . 0.485 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.78 -11.13 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -168.507 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -141.13 71.76 27.69 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 169.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -46.95 167.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.616 1.544 . . . . 0.0 111.59 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 0 C--N 1.291 -2.497 0 C-N-CA 122.517 2.145 . . . . 0.0 111.607 179.786 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -91.04 138.21 31.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 126.8 2.562 . . . . 0.0 108.92 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.4 pt -131.2 163.06 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.364 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 1.222 ' CZ ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -116.02 140.19 49.51 Favored 'General case' 0 N--CA 1.513 2.709 1 O-C-N 130.527 4.892 . . . . 0.0 108.8 179.627 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.04 114.29 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-O 113.42 -3.181 . . . . 0.0 105.545 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 1.222 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -95.24 127.63 41.44 Favored 'General case' 0 N--CA 1.505 2.325 1 O-C-N 129.297 4.123 . . . . 0.0 107.926 -178.22 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.4 t -99.63 170.7 8.4 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.407 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -6.92 49.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.221 0.95 . . . . 0.0 112.716 -178.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.59 14.92 30.52 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.69 -2.404 . . . . 0.0 111.897 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.76 80.11 Favored Glycine 0 C--N 1.298 -1.544 0 O-C-N 120.181 -1.574 . . . . 0.0 116.107 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.47 138.15 34.49 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 174.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.583 ' HB ' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -119.98 131.72 55.26 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.606 2.441 . . . . 0.0 105.948 176.321 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.54 141.87 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 127.698 3.124 . . . . 0.0 108.936 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 t -101.42 139.68 36.75 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 117.169 -1.813 . . . . 0.0 108.169 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -126.39 153.99 44.2 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 115.432 -2.223 . . . . 0.0 108.345 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -111.79 121.05 44.02 Favored 'General case' 0 N--CA 1.499 2.006 1 O-C-N 129.26 4.1 . . . . 0.0 103.719 173.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.99 170.57 15.99 Favored 'Isoleucine or valine' 0 C--O 1.255 1.353 0 O-C-N 127.537 3.023 . . . . 0.0 111.165 -177.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' ' OD2' ' A' ' 21' ' ' ASP . 2.1 pt-20 -119.9 144.49 37.52 Favored Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 112.353 -2.203 . . . . 0.0 106.381 174.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -55.09 -24.2 39.4 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.502 2.135 . . . . 0.0 111.94 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 p -80.12 -8.02 59.2 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.881 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' OD2' ' O ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -71.11 148.5 47.39 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 117.423 -1.711 . . . . 0.0 109.762 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.45 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.5 p -83.74 160.58 21.24 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 175.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.548 ' HA ' HG13 ' A' ' 26' ' ' VAL . 14.1 mm -61.6 -37.01 76.91 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 O-C-N 127.065 2.728 . . . . 0.0 110.25 175.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.57 -40.18 78.37 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.221 -0.924 . . . . 0.0 110.779 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.26 -41.99 80.29 Favored 'General case' 0 C--O 1.263 1.805 0 O-C-N 121.816 -0.553 . . . . 0.0 110.978 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.548 HG13 ' HA ' ' A' ' 23' ' ' ILE . 0.8 OUTLIER -58.2 -46.4 88.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 O-C-N 124.492 1.12 . . . . 0.0 109.192 178.146 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.805 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 6.7 mtpp -60.83 -37.93 83.71 Favored 'General case' 0 C--O 1.259 1.566 0 CA-C-O 118.866 -0.588 . . . . 0.0 110.682 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.61 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.13 -38.14 87.42 Favored 'General case' 0 C--O 1.277 2.534 0 CA-C-N 118.094 0.406 . . . . 0.0 111.156 176.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -64.11 -37.44 87.44 Favored 'General case' 0 C--O 1.255 1.351 0 CA-C-O 123.087 1.422 . . . . 0.0 110.786 176.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 mt -69.92 -39.6 77.77 Favored 'Isoleucine or valine' 0 C--O 1.251 1.158 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 1.166 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -62.25 -48.72 78.71 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.578 2.609 . . . . 0.0 109.09 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.14 -41.85 65.49 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.544 -1.662 . . . . 0.0 111.962 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 1.9 tptm -93.54 -24.25 18.03 Favored 'General case' 0 C--O 1.28 2.696 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -123.4 -6.51 8.18 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 123.156 2.707 . . . . 0.0 114.229 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.62 89.97 Favored Glycine 0 CA--C 1.479 -2.2 0 N-CA-C 118.849 2.3 . . . . 0.0 118.849 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 1.166 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 7.9 mt -79.73 124.82 83.34 Favored Pre-proline 0 C--O 1.245 0.834 0 C-N-CA 118.805 -1.158 . . . . 0.0 110.943 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -56.87 136.76 78.36 Favored 'Trans proline' 0 C--O 1.26 1.609 0 C-N-CA 123.337 2.692 . . . . 0.0 110.833 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.795 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 27.3 Cg_exo -57.16 -31.91 91.9 Favored 'Trans proline' 0 C--O 1.263 1.755 0 O-C-N 122.967 0.983 . . . . 0.0 113.616 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.48 -15.39 63.53 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 119.777 -1.827 . . . . 0.0 112.163 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -96.01 -10.22 29.09 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 120.749 -1.22 . . . . 0.0 111.985 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 6.4 mt-30 -84.84 129.58 34.79 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.326 2.012 . . . . 0.0 115.724 -177.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -121.1 116.14 24.44 Favored 'General case' 0 C--O 1.3 3.743 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 171.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 mp -103.51 130.1 50.83 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 119.481 1.037 . . . . 0.0 109.904 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.565 HG23 ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -122.03 131.89 72.14 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 O-C-N 125.192 1.558 . . . . 0.0 111.89 -177.581 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -144.36 129.59 18.72 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.434 -2.062 . . . . 0.0 105.434 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 46.06 19.79 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 112.278 -2.237 . . . . 0.0 110.719 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' HA3' ' CD2' ' C' ' 98' ' ' PHE . . . 61.69 21.72 61.0 Favored Glycine 0 N--CA 1.432 -1.567 0 C-N-CA 128.715 3.055 . . . . 0.0 117.357 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -115.01 142.78 46.17 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -85.82 130.26 34.6 Favored 'General case' 0 C--O 1.257 1.482 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 174.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.48 138.11 37.45 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 117.66 -1.162 . . . . 0.0 110.202 -175.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -101.73 140.07 36.51 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.092 1.495 . . . . 0.0 109.954 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -47.91 -42.51 27.32 Favored 'General case' 0 C--O 1.264 1.837 0 N-CA-C 120.831 3.641 . . . . 0.0 120.831 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.59 -8.98 85.36 Favored Glycine 0 CA--C 1.489 -1.545 0 N-CA-C 116.222 1.249 . . . . 0.0 116.222 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -85.39 165.39 17.26 Favored 'General case' 0 C--O 1.25 1.132 0 O-C-N 119.863 -1.963 . . . . 0.0 107.971 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 11.3 p -104.51 164.87 11.45 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 177.029 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mt -61.61 -35.94 79.3 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 p -64.32 -29.37 70.45 Favored 'General case' 0 C--O 1.266 1.969 0 C-N-CA 117.252 -1.779 . . . . 0.0 112.153 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.55 -39.51 70.7 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.467 1.127 . . . . 0.0 110.706 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -90.82 4.6 51.28 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.973 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 58.12 45.17 18.04 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 121.596 1.998 . . . . 0.0 111.189 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.0 mt -88.68 116.49 30.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.988 0 CA-C-O 115.175 -2.345 . . . . 0.0 106.263 175.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.44 169.62 8.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 126.025 2.078 . . . . 0.0 109.43 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.81 28.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 123.182 1.468 . . . . 0.0 109.178 -176.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 67.11 19.17 10.47 Favored 'General case' 0 C--O 1.254 1.34 0 N-CA-C 118.001 2.593 . . . . 0.0 118.001 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p -71.08 159.59 34.44 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.755 ' HB ' ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -119.16 126.75 52.33 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 118.192 -0.909 . . . . 0.0 108.806 175.79 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -103.2 154.61 19.15 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 114.876 -2.488 . . . . 0.0 105.629 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.565 ' O ' HG23 ' A' ' 44' ' ' ILE . 13.2 t-160 -105.65 135.63 46.71 Favored 'General case' 0 C--N 1.287 -2.125 0 O-C-N 127.296 2.872 . . . . 0.0 105.861 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.6 tp -106.85 115.78 30.78 Favored 'General case' 0 C--O 1.284 2.92 0 CA-C-O 117.607 -1.187 . . . . 0.0 111.442 176.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.5 t -108.1 139.83 28.83 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 175.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.95 138.84 33.01 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.203 0.525 . . . . 0.0 109.887 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -173.28 132.25 0.48 Allowed 'General case' 0 C--N 1.278 -2.506 0 CA-C-O 113.114 -3.327 . . . . 0.0 105.532 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.7 tp -75.76 -81.7 0.08 Allowed 'General case' 0 C--N 1.289 -2.033 0 O-C-N 125.866 1.978 . . . . 0.0 109.569 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.18 171.81 19.77 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.856 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.08 98.53 0.01 OUTLIER Glycine 0 C--O 1.246 0.881 0 CA-C-N 114.605 -1.18 . . . . 0.0 115.094 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.519 0 N-CA-C 108.303 -1.919 . . . . 0.0 108.303 179.367 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 mtt . . . . . 0 CA--C 1.549 0.919 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -90.9 138.43 31.6 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 127.144 2.778 . . . . 0.0 108.86 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.16 163.05 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.299 0 CA-C-O 115.732 -2.08 . . . . 0.0 105.938 173.227 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -115.93 140.09 49.59 Favored 'General case' 0 N--CA 1.513 2.699 1 O-C-N 130.614 4.946 . . . . 0.0 108.652 179.797 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.91 114.11 44.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 113.496 -3.145 . . . . 0.0 105.836 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.07 127.55 41.21 Favored 'General case' 0 N--CA 1.502 2.147 1 O-C-N 129.112 4.007 . . . . 0.0 108.236 -178.188 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 52.1 p -99.57 170.87 8.29 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.787 -1.102 . . . . 0.0 109.266 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.412 HD22 ' N ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.37 -7.0 49.8 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 124.144 0.902 . . . . 0.0 112.875 -178.266 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.0 t -101.23 14.84 30.71 Favored 'General case' 0 N--CA 1.506 2.328 0 C-N-CA 115.705 -2.398 . . . . 0.0 111.947 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.7 80.09 Favored Glycine 0 C--N 1.295 -1.715 0 O-C-N 120.192 -1.568 . . . . 0.0 116.066 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.25 137.87 34.69 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 174.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.89 132.01 55.42 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 126.358 2.286 . . . . 0.0 106.223 176.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 tp -109.58 141.84 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.693 3.121 . . . . 0.0 109.022 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.29 139.85 36.39 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 116.985 -1.886 . . . . 0.0 108.344 177.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.46 154.11 44.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 115.564 -2.16 . . . . 0.0 108.374 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -111.81 121.26 44.59 Favored 'General case' 0 N--CA 1.495 1.819 1 O-C-N 129.145 4.028 . . . . 0.0 103.511 173.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.21 170.61 15.7 Favored 'Isoleucine or valine' 0 C--O 1.253 1.266 0 O-C-N 127.796 3.185 . . . . 0.0 111.199 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.93 144.6 37.79 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.09 -2.323 . . . . 0.0 106.353 174.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -54.94 -24.73 40.63 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 122.713 2.275 . . . . 0.0 111.531 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -79.85 -8.22 59.16 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.923 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.01 148.49 47.56 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.746 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -83.81 160.56 21.17 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 19.4 mm -61.49 -36.78 75.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 127.042 2.714 . . . . 0.0 110.353 175.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.771 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.12 -42.93 77.66 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 120.398 -1.439 . . . . 0.0 111.014 176.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -64.47 -44.55 90.7 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 124.245 1.018 . . . . 0.0 111.351 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.6 -46.33 90.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.933 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -60.7 -37.95 83.4 Favored 'General case' 0 C--O 1.254 1.342 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.858 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.07 86.89 Favored 'General case' 0 C--O 1.279 2.626 0 O-C-N 123.384 0.427 . . . . 0.0 111.334 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -63.96 -37.37 87.15 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 120.41 -1.431 . . . . 0.0 110.917 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.0 mt -69.76 -39.73 78.29 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -48.86 78.52 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.514 2.578 . . . . 0.0 109.009 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -41.79 66.13 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.89 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.322 6.1 tptm -93.43 -24.26 18.11 Favored 'General case' 0 C--O 1.281 2.744 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 -175.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.66 -6.3 8.05 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 122.935 2.607 . . . . 0.0 113.858 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.92 5.66 89.96 Favored Glycine 0 CA--C 1.477 -2.305 0 N-CA-C 118.836 2.294 . . . . 0.0 118.836 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.439 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.8 mt -80.0 125.07 82.61 Favored Pre-proline 0 C--O 1.241 0.647 0 C-N-CA 118.682 -1.207 . . . . 0.0 110.989 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 91.6 Cg_exo -57.14 137.03 80.0 Favored 'Trans proline' 0 C--O 1.257 1.431 0 C-N-CA 122.971 2.447 . . . . 0.0 110.865 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -57.25 -32.15 92.81 Favored 'Trans proline' 0 C--O 1.261 1.647 0 O-C-N 122.98 0.989 . . . . 0.0 113.351 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -68.26 -15.71 63.68 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 119.948 -1.72 . . . . 0.0 112.242 -177.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.641 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 74.4 mm-40 -95.47 -10.6 29.37 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 120.524 -1.36 . . . . 0.0 112.252 178.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -84.84 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.264 1.983 . . . . 0.0 115.753 -177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 0.0 OUTLIER -121.17 116.09 24.28 Favored 'General case' 0 C--O 1.298 3.606 0 N-CA-C 104.812 -2.292 . . . . 0.0 104.812 172.181 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -103.62 130.22 51.03 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 119.46 1.027 . . . . 0.0 109.914 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -121.91 131.62 72.71 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 O-C-N 125.117 1.51 . . . . 0.0 112.048 -177.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.21 129.85 19.13 Favored 'General case' 0 C--N 1.359 0.98 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 45.89 19.73 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 111.988 -2.369 . . . . 0.0 110.705 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.19 59.63 Favored Glycine 0 C--N 1.298 -1.544 0 C-N-CA 128.284 2.849 . . . . 0.0 117.397 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -109.83 143.81 39.17 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 115.335 -2.269 . . . . 0.0 110.996 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -87.17 130.35 34.58 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.5 mt -79.67 138.41 37.36 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 117.626 -1.178 . . . . 0.0 110.091 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -101.88 139.9 36.89 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 125.28 1.613 . . . . 0.0 110.009 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.771 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 1.1 p30 -48.17 -42.11 28.79 Favored 'General case' 0 C--O 1.263 1.795 0 N-CA-C 120.78 3.622 . . . . 0.0 120.78 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.15 -8.61 85.25 Favored Glycine 0 CA--C 1.494 -1.268 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.53 165.24 17.26 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.189 -1.771 . . . . 0.0 108.006 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 21.1 p -104.41 164.4 11.77 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 33.3 mt -61.0 -36.31 79.13 Favored 'General case' 0 C--O 1.201 -1.457 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.7 m -63.75 -29.61 70.8 Favored 'General case' 0 C--O 1.267 2.016 0 C-N-CA 117.291 -1.764 . . . . 0.0 112.245 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -55.76 -39.0 70.6 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.567 1.175 . . . . 0.0 110.731 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -91.16 4.5 52.07 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 117.625 -1.179 . . . . 0.0 112.866 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.95 45.39 18.25 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 121.607 2.003 . . . . 0.0 111.301 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 20.8 mt -88.75 116.31 30.18 Favored 'Isoleucine or valine' 0 C--O 1.27 2.176 0 CA-C-O 115.029 -2.415 . . . . 0.0 106.234 175.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -103.39 169.52 8.49 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 126.163 2.164 . . . . 0.0 109.743 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.82 142.92 27.34 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 123.115 1.436 . . . . 0.0 109.305 -176.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 66.96 19.23 10.62 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 117.744 2.498 . . . . 0.0 117.744 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.12 159.6 34.4 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 174.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.07 126.62 52.1 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 118.228 -0.891 . . . . 0.0 108.784 175.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.22 154.59 19.18 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 114.727 -2.558 . . . . 0.0 105.696 175.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -105.57 135.8 46.31 Favored 'General case' 0 C--N 1.284 -2.272 0 O-C-N 127.574 3.046 . . . . 0.0 105.701 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 tt -107.19 115.87 30.93 Favored 'General case' 0 C--O 1.282 2.784 0 CA-C-O 117.731 -1.128 . . . . 0.0 111.399 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 33.8 m -108.21 139.97 28.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 103.4 -2.815 . . . . 0.0 103.4 175.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.641 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.11 -83.39 0.37 Allowed 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.051 0.453 . . . . 0.0 109.857 178.394 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.448 ' N ' HD13 ' B' ' 71' ' ' LEU . 1.2 tmt_? 63.94 99.71 0.04 OUTLIER 'General case' 0 C--N 1.277 -2.554 0 CA-C-O 113.489 -3.148 . . . . 0.0 105.453 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.24 -72.86 0.3 Allowed 'General case' 0 C--N 1.294 -1.837 0 O-C-N 125.606 1.817 . . . . 0.0 109.691 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.22 167.14 30.32 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.82 -1.536 . . . . 0.0 108.688 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.68 -113.64 0.51 Allowed Glycine 0 C--O 1.245 0.786 0 CA-C-N 114.788 -1.096 . . . . 0.0 115.19 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.443 0 CA-C-O 116.526 -2.264 . . . . 0.0 108.285 179.12 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 CA--C 1.511 -0.548 0 CA-C-O 121.9 0.857 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 57.79 88.94 0.05 Allowed 'General case' 0 C--N 1.289 -2.024 0 O-C-N 119.09 -2.256 . . . . 0.0 111.045 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.41 163.65 27.45 Favored 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.76 2.024 . . . . 0.0 110.675 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -89.06 137.95 31.85 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.536 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.604 ' HB2' HG22 ' C' ' 49' ' ' ILE . 0.4 OUTLIER -70.28 -39.6 74.82 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.699 0.761 . . . . 0.0 111.844 172.476 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.634 ' HB ' HG23 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.31 136.1 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 107.426 -178.222 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.38 148.04 34.18 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.572 165.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -161.01 155.18 22.85 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.241 0.963 . . . . 0.0 111.21 173.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -72.26 127.87 33.9 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.181 -1.372 . . . . 0.0 112.307 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.098 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.99 164.89 25.17 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 108.247 -1.941 . . . . 0.0 108.247 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 -179.2 3.77 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' MET . . . . . 0.724 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.3 mpt? -137.07 161.09 37.04 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 174.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 87.8 p -136.67 156.54 48.4 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.067 -1.453 . . . . 0.0 108.734 177.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mp -92.73 116.17 28.77 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 115.81 29.33 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 172.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 10.4 t -113.92 14.52 18.52 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.37 -0.415 . . . . 0.0 109.958 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -112.06 122.48 47.87 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 85.0 t -76.09 120.06 25.35 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 50.4 m -124.14 119.28 26.49 Favored Pre-proline 0 C--O 1.245 0.856 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.222 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . 0.724 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 32.3 Cg_exo -59.91 134.79 59.01 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.956 -0.896 . . . . 0.0 111.846 173.455 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -85.68 132.16 34.2 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.95 -11.17 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.28 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -67.08 144.37 56.15 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -68.04 125.55 26.68 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 171.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.34 171.25 21.57 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.316 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -128.43 124.37 36.06 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 15.9 t -90.91 137.63 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 164.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -151.95 157.76 42.22 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.973 0.892 . . . . 0.0 113.015 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.778 HG13 ' CE1' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -118.81 131.07 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.591 -1.641 . . . . 0.0 108.321 174.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -134.02 137.68 44.89 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -100.25 122.06 42.45 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 170.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 68.4 p -83.99 171.16 13.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.33 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.54 -10.51 59.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -170.321 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -82.7 7.48 14.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.014 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.87 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.458 1.503 . . . . 0.0 114.684 -177.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.89 149.86 39.36 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 122.165 0.983 . . . . 0.0 113.034 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -102.15 129.08 54.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.138 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.61 125.3 50.52 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -176.579 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.74 119.0 36.74 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.196 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 91.4 m -127.63 156.88 41.61 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -130.5 128.26 40.83 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.738 169.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -120.65 134.25 55.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.773 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.22 115.36 13.63 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -64.0 -32.44 73.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -176.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 5.5 t -72.51 -46.14 56.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -175.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.44 -20.53 21.68 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.516 -176.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.53 2.76 60.79 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -72.52 130.0 39.61 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.679 1.24 . . . . 0.0 113.159 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.2 109.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.49 -28.89 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.942 -171.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.02 135.6 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.838 0.828 . . . . 0.0 109.386 177.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -155.04 103.31 2.38 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.06 123.21 45.1 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.253 -174.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 pt -75.83 124.36 33.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.384 1.087 . . . . 0.0 111.721 168.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 46.9 mm -123.02 130.29 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.381 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.597 -174.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -101.24 158.98 30.76 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.403 1.064 . . . . 0.0 110.885 173.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -54.37 133.88 58.37 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.915 2.41 . . . . 0.0 111.264 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.59 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -70.45 -33.61 71.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.038 0.835 . . . . 0.0 109.563 176.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 29.1 p -154.87 168.12 27.97 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.536 -1.266 . . . . 0.0 113.635 -173.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -133.45 139.31 46.63 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.468 -1.696 . . . . 0.0 106.992 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . 0.513 ' CD2' ' HB ' ' C' ' 124' ' ' VAL . 2.7 m-85 -106.76 124.19 49.25 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -148.54 156.43 42.43 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -177.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -67.75 142.79 56.15 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.486 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.18 98.33 2.82 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 171.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -61.02 -31.96 91.75 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 N-CA-C 117.814 2.198 . . . . 0.0 117.814 -167.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.09 8.59 34.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.207 -164.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.05 119.64 72.72 Favored Pre-proline 0 CA--C 1.516 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.96 -19.86 34.06 Favored 'Trans proline' 0 C--N 1.346 0.421 0 O-C-N 123.054 1.028 . . . . 0.0 114.422 -173.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 83.2 p -65.5 -34.63 78.71 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.437 0.562 . . . . 0.0 110.083 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.03 64.87 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.529 -172.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -121.09 17.18 11.64 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 45.2 t -97.06 133.42 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 173.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . 0.734 ' CD1' ' HB2' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -125.05 151.74 45.22 Favored 'General case' 0 CA--C 1.499 -0.988 0 O-C-N 125.509 1.756 . . . . 0.0 110.448 178.588 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . 0.568 ' N ' ' CD2' ' C' ' 94' ' ' TYR . 1.3 m -126.94 135.33 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . 0.547 ' O ' ' HG ' ' C' ' 96' ' ' LEU . 0.2 OUTLIER -95.43 108.1 20.29 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 169.151 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -109.17 125.15 51.9 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -171.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.4 ' CD2' ' HA3' ' A' ' 47' ' ' GLY . 77.8 m-85 -84.77 115.72 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.052 0.845 . . . . 0.0 109.195 176.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -63.5 -25.09 68.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.429 -169.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.31 115.21 28.93 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 173.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . 0.554 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.91 172.39 27.71 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -172.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.38 9.08 33.12 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.099 -0.648 . . . . 0.0 110.588 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -70.63 129.17 38.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 117.882 -1.527 . . . . 0.0 110.573 -165.068 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 141.75 46.28 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.943 175.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.53 126.2 45.45 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 171.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' C' ' 106' ' ' PHE . 1.4 m-85 -100.94 143.68 30.79 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 124.698 1.249 . . . . 0.0 110.281 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . 0.734 ' HB2' ' CD1' ' C' ' 94' ' ' TYR . 54.3 m-85 -137.1 156.68 48.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.234 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -131.43 126.54 35.35 Favored 'General case' 0 N--CA 1.42 -1.968 0 C-N-CA 119.581 -0.848 . . . . 0.0 110.388 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.66 137.74 58.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.278 -174.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.87 3.99 11.52 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.213 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 135.84 93.86 Favored Pre-proline 0 C--O 1.265 1.913 0 CA-C-O 123.028 1.394 . . . . 0.0 108.705 172.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.21 -41.32 43.51 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.609 -1.127 . . . . 0.0 112.444 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -96.17 146.9 24.29 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.482 173.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 27.9 p -83.48 -9.19 59.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.166 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -33.81 56.29 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.403 0.681 . . . . 0.0 112.77 -169.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.19 5.8 37.93 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -174.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -48.82 77.35 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.97 -1.092 . . . . 0.0 110.252 -177.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.3 70.73 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.576 -173.474 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -44.02 80.24 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.856 0.36 . . . . 0.0 110.91 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -55.61 -45.84 77.44 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.026 -1.046 . . . . 0.0 112.301 173.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . 0.923 ' O ' HG22 ' C' ' 124' ' ' VAL . 1.3 m -60.7 -43.06 98.26 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.681 0.753 . . . . 0.0 110.287 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -43.52 98.67 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.074 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -64.19 -42.34 96.7 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . 1.077 ' HA ' ' CE2' ' C' ' 127' ' ' TYR . 16.8 m -52.33 -51.94 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.336 175.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . 0.418 ' N ' HG21 ' C' ' 124' ' ' VAL . 1.4 m-20 -60.28 -39.52 87.15 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -45.96 82.35 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.51 -178.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . 1.077 ' CE2' ' HA ' ' C' ' 124' ' ' VAL . 0.6 OUTLIER -79.07 -24.49 43.49 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.38 -174.597 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.645 ' HG ' ' CE1' ' C' ' 127' ' ' TYR . 5.9 mt -78.97 -36.08 42.03 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.771 -0.771 . . . . 0.0 112.322 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -110.79 -11.13 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -168.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -141.15 71.83 27.5 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -46.17 108.8 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.592 1.528 . . . . 0.0 111.634 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo . . . . . 0 C--N 1.29 -2.538 0 C-N-CA 122.422 2.081 . . . . 0.0 111.573 179.804 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptt? . . . . . 0 CA--C 1.549 0.927 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -91.12 138.19 31.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 126.856 2.597 . . . . 0.0 108.884 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 pp -131.22 162.97 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.372 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.0 140.22 49.47 Favored 'General case' 0 N--CA 1.512 2.663 1 O-C-N 130.496 4.873 . . . . 0.0 108.787 179.582 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.7 t -118.06 114.2 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 113.4 -3.191 . . . . 0.0 105.602 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -95.13 127.58 41.29 Favored 'General case' 0 N--CA 1.506 2.363 1 O-C-N 129.354 4.159 . . . . 0.0 107.95 -178.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -99.61 170.81 8.33 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.294 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -6.85 48.97 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.046 0.841 . . . . 0.0 112.697 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -101.55 14.97 30.36 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 115.754 -2.379 . . . . 0.0 111.936 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.79 80.21 Favored Glycine 0 C--N 1.297 -1.588 0 O-C-N 120.205 -1.56 . . . . 0.0 116.154 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 138.13 34.57 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 p -119.95 131.67 55.27 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 126.675 2.484 . . . . 0.0 105.928 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.53 141.98 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 127.738 3.149 . . . . 0.0 108.956 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -101.37 139.78 36.56 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.17 -1.812 . . . . 0.0 108.083 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -126.47 154.06 44.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 115.458 -2.211 . . . . 0.0 108.311 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -111.86 121.0 43.85 Favored 'General case' 0 N--CA 1.499 1.99 1 O-C-N 129.204 4.065 . . . . 0.0 103.639 173.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.92 170.6 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.335 0 O-C-N 127.477 2.986 . . . . 0.0 111.175 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -119.96 144.52 37.68 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 112.395 -2.184 . . . . 0.0 106.256 174.643 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -55.03 -24.26 39.17 Favored 'Trans proline' 0 C--N 1.321 -0.894 0 C-N-CA 122.481 2.121 . . . . 0.0 111.993 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 p -80.08 -8.1 59.22 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.857 -177.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 21' ' ' ASP . 30.2 p-10 -71.15 148.38 47.44 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 117.505 -1.678 . . . . 0.0 109.81 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.67 160.5 21.32 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 29.9 mm -61.44 -37.14 77.06 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 O-C-N 127.137 2.773 . . . . 0.0 110.212 175.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -57.5 -40.27 78.29 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.303 -0.873 . . . . 0.0 110.793 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.13 -42.01 80.8 Favored 'General case' 0 C--O 1.262 1.716 0 O-C-N 121.872 -0.517 . . . . 0.0 110.998 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -58.22 -46.36 88.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 O-C-N 124.461 1.1 . . . . 0.0 109.173 178.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -60.93 -37.92 83.98 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-O 118.803 -0.617 . . . . 0.0 110.683 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.17 87.56 Favored 'General case' 0 C--O 1.277 2.523 0 CA-C-N 118.107 0.412 . . . . 0.0 111.117 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -37.49 87.64 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-O 123.082 1.42 . . . . 0.0 110.678 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 mm -69.95 -39.58 77.66 Favored 'Isoleucine or valine' 0 C--O 1.251 1.155 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -48.72 78.82 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 125.556 2.598 . . . . 0.0 109.136 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -41.71 65.73 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.39 -1.732 . . . . 0.0 111.991 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -93.67 -24.14 17.98 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 -175.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -123.46 -6.48 8.15 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 123.129 2.695 . . . . 0.0 114.23 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.6 90.0 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.948 2.339 . . . . 0.0 118.948 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 66.2 mt -79.73 124.83 83.33 Favored Pre-proline 0 C--O 1.244 0.803 0 C-N-CA 118.761 -1.176 . . . . 0.0 110.945 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_exo -57.02 136.85 79.15 Favored 'Trans proline' 0 C--O 1.259 1.537 0 C-N-CA 123.361 2.707 . . . . 0.0 110.715 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -57.18 -31.94 92.01 Favored 'Trans proline' 0 C--O 1.263 1.761 0 O-C-N 122.925 0.96 . . . . 0.0 113.647 -179.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.47 -15.33 63.51 Favored 'General case' 0 C--O 1.262 1.748 0 O-C-N 119.872 -1.767 . . . . 0.0 112.306 -177.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.95 -10.27 29.09 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 120.64 -1.287 . . . . 0.0 112.079 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 -84.92 129.59 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.453 2.073 . . . . 0.0 115.792 -177.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 116.09 24.41 Favored 'General case' 0 C--O 1.299 3.703 0 N-CA-C 105.037 -2.209 . . . . 0.0 105.037 171.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.7 mt -103.5 130.19 50.83 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 119.566 1.075 . . . . 0.0 109.998 -177.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mp -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 O-C-N 125.088 1.493 . . . . 0.0 111.852 -177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . 1.012 ' O ' ' OH ' ' A' ' 59' ' ' TYR . 28.1 t80 -144.32 129.5 18.68 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.22 46.1 19.92 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 112.277 -2.238 . . . . 0.0 110.76 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.53 21.8 60.74 Favored Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 128.668 3.033 . . . . 0.0 117.549 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.484 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 17.7 mmtp -115.1 142.85 46.09 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 177.634 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.86 130.31 34.59 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 174.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.8 mp -79.44 138.08 37.47 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 117.622 -1.18 . . . . 0.0 110.196 -176.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.73 140.17 36.37 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 125.099 1.499 . . . . 0.0 109.983 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -48.07 -42.44 28.64 Favored 'General case' 0 C--O 1.263 1.801 0 N-CA-C 120.752 3.612 . . . . 0.0 120.752 -175.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.72 -8.88 85.38 Favored Glycine 0 CA--C 1.49 -1.488 0 N-CA-C 116.139 1.216 . . . . 0.0 116.139 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -85.42 165.37 17.25 Favored 'General case' 0 C--O 1.251 1.151 0 O-C-N 119.822 -1.987 . . . . 0.0 107.986 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 17.5 p -104.54 164.85 11.46 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 176.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mp -61.58 -35.97 79.33 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 177.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -29.56 70.66 Favored 'General case' 0 C--O 1.267 2.004 0 C-N-CA 117.264 -1.774 . . . . 0.0 112.198 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -55.41 -39.54 70.33 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 122.451 1.12 . . . . 0.0 110.741 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 1.012 ' OH ' ' O ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.88 4.81 50.84 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 117.79 -1.1 . . . . 0.0 113.088 179.107 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.95 45.29 18.4 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 121.537 1.972 . . . . 0.0 111.266 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 mt -88.78 116.57 30.64 Favored 'Isoleucine or valine' 0 C--O 1.266 1.962 0 CA-C-O 115.238 -2.315 . . . . 0.0 106.15 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.48 169.67 8.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 126.018 2.074 . . . . 0.0 109.441 -176.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -54.95 142.94 27.91 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.169 1.461 . . . . 0.0 109.119 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 67.02 19.21 10.57 Favored 'General case' 0 C--O 1.254 1.305 0 N-CA-C 118.002 2.593 . . . . 0.0 118.002 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -71.22 159.58 34.38 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.14 126.74 52.31 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 118.121 -0.942 . . . . 0.0 108.805 175.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -103.14 154.54 19.19 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 114.718 -2.563 . . . . 0.0 105.63 175.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -105.69 135.62 46.77 Favored 'General case' 0 C--N 1.286 -2.156 0 O-C-N 127.436 2.96 . . . . 0.0 105.817 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.0 tp -106.88 115.87 30.93 Favored 'General case' 0 C--O 1.284 2.912 0 CA-C-O 117.656 -1.164 . . . . 0.0 111.423 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 t -108.16 139.91 28.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -96.08 138.88 33.06 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.207 0.527 . . . . 0.0 109.868 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -73.31 122.46 22.04 Favored 'General case' 0 C--N 1.278 -2.531 0 CA-C-O 113.212 -3.28 . . . . 0.0 105.552 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 mt -77.36 108.07 10.24 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 125.926 2.016 . . . . 0.0 109.523 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.47 109.69 7.8 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 113.62 -1.627 . . . . 0.0 108.865 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.96 -39.89 0.03 OUTLIER Glycine 0 C--O 1.247 0.946 0 CA-C-N 114.591 -1.186 . . . . 0.0 115.097 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.485 0 N-CA-C 108.293 -1.923 . . . . 0.0 108.293 179.57 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.4 mtp . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.96 138.42 31.61 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 127.085 2.741 . . . . 0.0 108.807 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 pp -131.05 163.09 37.92 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 CA-C-O 115.739 -2.077 . . . . 0.0 105.896 173.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -116.02 140.11 49.59 Favored 'General case' 0 N--CA 1.514 2.745 1 O-C-N 130.638 4.961 . . . . 0.0 108.604 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.86 114.06 44.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.796 175.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -95.06 127.48 41.16 Favored 'General case' 0 N--CA 1.502 2.147 1 O-C-N 129.227 4.079 . . . . 0.0 108.165 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.1 p -99.52 170.87 8.3 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.233 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.459 HD12 ' N ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.43 -7.0 49.92 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 124.078 0.861 . . . . 0.0 112.891 -178.3 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -101.22 14.88 30.57 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 115.627 -2.429 . . . . 0.0 112.041 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.72 80.09 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 120.144 -1.598 . . . . 0.0 116.037 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -96.23 137.86 34.69 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.91 131.93 55.38 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 126.367 2.292 . . . . 0.0 106.216 176.093 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.47 141.79 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 127.77 3.169 . . . . 0.0 109.131 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.09 139.88 36.16 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 117.05 -1.86 . . . . 0.0 108.386 177.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.65 154.04 44.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 115.553 -2.165 . . . . 0.0 108.354 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.79 121.09 44.15 Favored 'General case' 0 N--CA 1.495 1.808 1 O-C-N 129.234 4.084 . . . . 0.0 103.547 174.153 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.01 170.6 15.94 Favored 'Isoleucine or valine' 0 C--O 1.255 1.352 0 O-C-N 127.721 3.138 . . . . 0.0 111.246 -177.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 144.6 37.99 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 112.12 -2.309 . . . . 0.0 106.391 174.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.86 -24.76 40.18 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 C-N-CA 122.778 2.318 . . . . 0.0 111.559 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -8.3 59.2 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 121.107 -0.995 . . . . 0.0 110.923 -177.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.87 148.46 47.76 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 117.432 -1.707 . . . . 0.0 109.772 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -83.94 160.52 21.06 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 1.31 HG23 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.42 -36.71 74.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 126.964 2.665 . . . . 0.0 110.419 175.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.774 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.13 -42.99 77.77 Favored 'General case' 0 C--O 1.251 1.165 0 O-C-N 120.352 -1.467 . . . . 0.0 110.98 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -64.31 -44.59 91.11 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.183 0.993 . . . . 0.0 111.487 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.57 -46.33 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.194 -1.366 . . . . 0.0 108.935 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -60.73 -37.99 83.63 Favored 'General case' 0 C--O 1.256 1.437 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.821 -179.611 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.95 86.57 Favored 'General case' 0 C--O 1.278 2.563 0 O-C-N 123.356 0.41 . . . . 0.0 111.341 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -64.14 -37.31 86.99 Favored 'General case' 0 C--O 1.252 1.22 0 CA-C-O 123.03 1.395 . . . . 0.0 110.861 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mt -69.83 -39.76 78.16 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.97 -48.79 78.78 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.641 2.638 . . . . 0.0 109.047 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.39 -41.74 66.22 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-N 113.716 -1.584 . . . . 0.0 111.886 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 7.3 mttp -93.42 -24.35 18.08 Favored 'General case' 0 C--O 1.28 2.664 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -123.65 -6.45 8.04 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 122.918 2.599 . . . . 0.0 113.835 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.06 5.55 90.05 Favored Glycine 0 CA--C 1.476 -2.403 0 N-CA-C 118.813 2.285 . . . . 0.0 118.813 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.441 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 46.8 mt -79.85 125.03 82.98 Favored Pre-proline 0 C--O 1.241 0.637 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.111 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 83.5 Cg_exo -57.15 137.04 80.05 Favored 'Trans proline' 0 C--O 1.256 1.415 0 C-N-CA 122.893 2.395 . . . . 0.0 110.905 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -57.29 -32.1 92.76 Favored 'Trans proline' 0 C--O 1.262 1.706 0 O-C-N 123.028 1.015 . . . . 0.0 113.313 -179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.34 -15.53 63.59 Favored 'General case' 0 C--O 1.263 1.776 0 O-C-N 120.022 -1.674 . . . . 0.0 112.246 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.664 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 29.2 mm-40 -95.61 -10.57 29.12 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.487 -1.383 . . . . 0.0 112.181 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -84.87 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 124.176 1.941 . . . . 0.0 115.75 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -121.21 116.09 24.25 Favored 'General case' 0 C--O 1.297 3.603 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 172.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.8 tp -103.51 130.24 50.85 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 119.451 1.023 . . . . 0.0 110.001 -177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.97 131.53 72.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 O-C-N 125.136 1.523 . . . . 0.0 112.069 -177.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.21 129.86 19.14 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 45.97 19.37 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 112.011 -2.359 . . . . 0.0 110.686 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.22 59.68 Favored Glycine 0 C--N 1.298 -1.556 0 C-N-CA 128.341 2.876 . . . . 0.0 117.287 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.84 143.87 39.1 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 115.377 -2.249 . . . . 0.0 110.953 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -87.09 130.28 34.57 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 104.12 -2.548 . . . . 0.0 104.12 173.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -79.57 138.44 37.47 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.08 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 1.31 ' O ' HG23 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -101.86 140.06 36.65 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 125.206 1.567 . . . . 0.0 110.025 -177.738 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.774 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.4 OUTLIER -48.35 -41.94 30.05 Favored 'General case' 0 C--O 1.263 1.78 0 N-CA-C 120.745 3.609 . . . . 0.0 120.745 -175.731 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.34 -8.48 85.11 Favored Glycine 0 CA--C 1.492 -1.373 0 N-CA-C 115.966 1.146 . . . . 0.0 115.966 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.453 ' O ' HG22 ' B' ' 23' ' ' ILE . 4.2 mmt85 -85.74 165.3 17.03 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 120.099 -1.824 . . . . 0.0 107.957 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 12.4 p -104.27 164.59 11.62 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 mt -61.2 -36.36 79.66 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.0 p -63.62 -29.82 71.01 Favored 'General case' 0 C--O 1.267 1.979 0 C-N-CA 117.334 -1.746 . . . . 0.0 112.187 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.7 -38.95 70.38 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 122.554 1.169 . . . . 0.0 110.785 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -91.16 4.52 52.01 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.857 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.96 45.26 18.42 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 121.679 2.036 . . . . 0.0 111.308 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -88.64 116.25 30.01 Favored 'Isoleucine or valine' 0 C--O 1.27 2.166 0 CA-C-O 115.115 -2.374 . . . . 0.0 106.277 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.37 169.56 8.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 126.066 2.104 . . . . 0.0 109.696 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -54.85 142.94 27.4 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 123.042 1.401 . . . . 0.0 109.387 -176.694 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.94 19.15 10.63 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.8 t -71.17 159.63 34.31 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 174.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -119.02 126.6 52.1 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 118.214 -0.898 . . . . 0.0 108.868 175.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -103.15 154.58 19.15 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 114.65 -2.595 . . . . 0.0 105.71 175.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -105.63 135.79 46.4 Favored 'General case' 0 C--N 1.283 -2.293 0 O-C-N 127.62 3.075 . . . . 0.0 105.744 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . 0.4 ' O ' HD22 ' B' ' 8' ' ' LEU . 6.0 tt -107.14 115.76 30.74 Favored 'General case' 0 C--O 1.284 2.875 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.514 176.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.2 t -108.09 139.9 28.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 103.43 -2.804 . . . . 0.0 103.43 175.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.664 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.12 -83.38 0.37 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.065 0.459 . . . . 0.0 109.824 178.409 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.631 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 13.7 tpt180 144.72 150.8 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.554 0 CA-C-O 113.504 -3.141 . . . . 0.0 105.39 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -121.94 -51.56 2.01 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 125.566 1.791 . . . . 0.0 109.741 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 169.15 141.12 0.02 OUTLIER 'General case' 0 C--O 1.243 0.717 0 CA-C-N 113.841 -1.527 . . . . 0.0 108.748 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.97 169.94 29.26 Favored Glycine 0 C--O 1.245 0.782 0 CA-C-N 114.829 -1.078 . . . . 0.0 115.171 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.485 0 CA-C-O 116.566 -2.241 . . . . 0.0 108.249 179.054 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.512 -0.497 0 CA-C-O 121.951 0.882 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 t30 58.36 30.51 19.69 Favored 'General case' 0 C--N 1.289 -2.06 0 O-C-N 119.05 -2.281 . . . . 0.0 110.959 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -162.4 113.59 1.57 Allowed 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 126.783 2.033 . . . . 0.0 110.673 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.0 137.88 31.91 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.589 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.589 ' HB2' HG22 ' C' ' 49' ' ' ILE . 0.3 OUTLIER -70.25 -39.54 74.97 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.885 172.439 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.479 ' HB ' ' CE1' ' C' ' 127' ' ' TYR . 1.0 OUTLIER -144.43 136.06 21.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 125.178 1.391 . . . . 0.0 107.496 -178.205 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.37 148.01 34.16 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.572 165.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.99 155.17 22.89 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.264 0.978 . . . . 0.0 111.181 173.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 127.76 33.55 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.375 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.16 147.66 6.75 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.102 179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.9 164.79 25.23 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 108.267 -1.933 . . . . 0.0 108.267 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -179.2 3.79 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.3 mtt -137.18 161.01 37.34 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' SER . . . . . 0.407 ' O ' ' CG2' ' C' ' 39' ' ' THR . 7.5 m -136.6 156.5 48.48 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.827 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 116.12 28.73 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 105.939 -1.874 . . . . 0.0 105.939 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.37 115.85 29.39 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.05 8.62 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -113.9 14.48 18.54 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.412 -0.394 . . . . 0.0 110.028 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -111.97 122.46 47.82 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 t -76.09 120.03 25.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' C' ' 32' ' ' SER . 1.2 t -124.11 119.41 26.51 Favored Pre-proline 0 C--O 1.246 0.872 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.141 -173.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.85 134.77 59.08 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 CA-C-O 122.302 0.876 . . . . 0.0 111.909 173.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -85.74 132.14 34.19 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.13 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.06 144.36 56.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -173.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 125.58 26.81 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.34 171.25 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.134 1.408 . . . . 0.0 115.37 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . 0.672 ' HB2' ' OH ' ' C' ' 48' ' ' TYR . 17.8 mt -128.4 124.44 36.33 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 175.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.98 137.57 21.45 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 164.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 1.293 ' OH ' ' HB3' ' C' ' 62' ' ' LYS . 0.0 OUTLIER -151.98 157.74 42.15 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 122.049 0.928 . . . . 0.0 112.911 175.597 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.842 HG13 ' CE2' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -118.73 131.09 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 113.507 -1.679 . . . . 0.0 108.418 174.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.05 137.64 44.81 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.374 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.19 122.05 42.41 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 170.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 7.5 t -84.08 171.19 13.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.238 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -71.65 -10.34 59.62 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.593 -0.843 . . . . 0.0 113.201 -170.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.68 7.41 14.92 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.021 170.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 4.0 t 73.83 -1.25 3.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.507 1.523 . . . . 0.0 114.749 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.18 129.12 54.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.147 -177.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 1.4 m-70 -117.61 125.25 50.44 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.79 118.98 36.77 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.73 156.9 41.68 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -171.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . 0.446 ' HZ2' ' CZ ' ' C' ' 107' ' ' PHE . 4.0 m-90 -130.46 128.29 40.96 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.466 -1.697 . . . . 0.0 108.718 169.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . 1.293 ' HB3' ' OH ' ' C' ' 48' ' ' TYR . 0.6 OUTLIER -120.75 134.35 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.742 -176.313 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -74.29 115.36 13.71 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 173.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -64.1 -32.29 73.8 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -176.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p -72.49 -46.23 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -91.43 -20.51 21.7 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.559 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.75 60.84 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.53 130.03 39.68 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.624 1.212 . . . . 0.0 113.18 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.19 109.11 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.47 -28.77 15.29 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.062 -171.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -122.07 135.53 54.83 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.861 0.839 . . . . 0.0 109.386 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.94 103.35 2.4 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.569 -2.382 . . . . 0.0 104.569 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 16.5 mt -118.09 123.27 45.22 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.275 -174.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 mp -75.89 124.28 33.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.377 1.084 . . . . 0.0 111.715 168.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.96 130.33 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.632 -174.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -101.27 158.98 30.75 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.463 1.102 . . . . 0.0 110.861 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.32 133.87 58.15 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.931 2.421 . . . . 0.0 111.289 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.6 6.7 5.85 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -175.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -70.36 -33.67 71.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.003 0.819 . . . . 0.0 109.543 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 18.7 p -154.9 168.26 27.53 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.442 -1.303 . . . . 0.0 113.605 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -133.48 139.26 46.57 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.501 -1.681 . . . . 0.0 107.065 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . 0.508 ' CZ ' ' CB ' ' C' ' 94' ' ' TYR . 17.8 t80 -106.72 124.21 49.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 156.45 42.44 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -67.78 142.83 56.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.357 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . 0.461 ' HB ' HG11 ' C' ' 93' ' ' VAL . 2.5 t -94.23 98.3 2.83 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 171.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -61.07 -31.87 91.23 Favored 'Trans proline' 0 C--N 1.329 -0.479 0 N-CA-C 117.837 2.207 . . . . 0.0 117.837 -167.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -91.09 8.64 34.54 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.236 -164.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . 0.545 ' HB3' HG12 ' C' ' 93' ' ' VAL . 12.7 t -85.12 119.66 72.69 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -56.97 -19.91 34.39 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.97 0.984 . . . . 0.0 114.39 -173.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 6.6 m -65.48 -34.61 78.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.419 0.554 . . . . 0.0 110.131 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.43 13.12 64.84 Favored Glycine 0 CA--C 1.506 -0.529 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.534 -172.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -120.99 16.98 11.72 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . 0.545 HG12 ' HB3' ' C' ' 88' ' ' CYS . 2.7 p -96.92 133.39 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . 0.508 ' CB ' ' CZ ' ' C' ' 82' ' ' PHE . 1.9 m-85 -125.06 151.76 45.22 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 125.572 1.795 . . . . 0.0 110.43 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -126.93 135.4 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.42 108.12 20.3 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 104.906 -2.257 . . . . 0.0 104.906 169.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -109.22 125.14 51.94 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -84.73 115.68 22.82 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.135 0.897 . . . . 0.0 109.214 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -25.17 68.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.412 -169.646 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.29 115.12 28.79 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 173.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.97 172.43 27.64 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -172.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.47 9.12 33.23 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 122.099 -0.648 . . . . 0.0 110.484 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -70.65 129.23 38.61 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.593 -165.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.07 141.73 46.15 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.948 175.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 25.4 mt -124.51 126.24 45.53 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -100.88 143.64 30.79 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.68 1.237 . . . . 0.0 110.316 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . 0.446 ' CZ ' ' HZ2' ' C' ' 61' ' ' TRP . 0.5 OUTLIER -137.07 156.67 48.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.26 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -131.36 126.66 35.83 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.394 175.029 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.75 137.79 58.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.272 -174.729 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -118.84 3.98 11.54 Favored 'General case' 0 N--CA 1.428 -1.534 0 CA-C-N 114.627 -1.169 . . . . 0.0 110.31 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.37 135.88 93.97 Favored Pre-proline 0 C--O 1.265 1.906 0 CA-C-O 123.164 1.459 . . . . 0.0 108.63 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.24 -41.35 43.05 Favored 'Trans proline' 0 C--O 1.246 0.915 0 C-N-CA 117.603 -1.132 . . . . 0.0 112.466 -174.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.12 146.96 24.22 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.513 173.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 84.9 m -83.49 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.158 178.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -53.61 -33.84 56.38 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -103.08 5.77 38.2 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 22.9 p-10 -56.91 -48.8 77.37 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 118.986 -1.086 . . . . 0.0 110.276 -177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -32.18 70.41 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.492 -173.422 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -44.04 79.9 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 175.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . 0.404 ' O ' HG13 ' C' ' 124' ' ' VAL . 3.8 t60 -55.49 -45.89 76.99 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.021 -1.05 . . . . 0.0 112.37 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . 0.705 ' O ' ' CG1' ' C' ' 124' ' ' VAL . 0.8 OUTLIER -60.64 -43.1 97.94 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.677 0.751 . . . . 0.0 110.326 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -61.83 -43.51 98.71 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.117 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -64.26 -42.29 96.55 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . 1.0 ' HA ' ' CE1' ' C' ' 127' ' ' TYR . 0.6 OUTLIER -52.28 -51.96 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.421 175.496 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -60.25 -39.62 87.4 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.27 -45.97 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.461 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . 1.0 ' CE1' ' HA ' ' C' ' 124' ' ' VAL . 0.4 OUTLIER -79.09 -24.42 43.47 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.35 -174.606 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.575 ' N ' ' CD2' ' C' ' 127' ' ' TYR . 0.4 OUTLIER -79.1 -36.05 41.33 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.745 -0.782 . . . . 0.0 112.282 174.506 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . 0.49 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 8.8 t-20 -110.74 -11.08 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -168.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -141.21 71.84 27.21 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 169.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -47.05 170.11 0.05 OUTLIER 'Trans proline' 0 C--N 1.315 -1.191 0 C-N-CA 121.58 1.52 . . . . 0.0 111.667 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo . . . . . 0 C--N 1.29 -2.543 0 C-N-CA 122.462 2.108 . . . . 0.0 111.624 -179.88 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 mmm . . . . . 0 CA--C 1.549 0.942 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -91.02 138.22 31.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 126.881 2.613 . . . . 0.0 108.957 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.9 pt -131.23 162.98 38.29 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.03 140.2 49.5 Favored 'General case' 0 N--CA 1.513 2.683 1 O-C-N 130.566 4.916 . . . . 0.0 108.771 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -118.07 114.24 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.576 175.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.23 127.53 41.36 Favored 'General case' 0 N--CA 1.505 2.285 1 O-C-N 129.297 4.123 . . . . 0.0 107.874 -178.073 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.6 170.78 8.35 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.861 -1.066 . . . . 0.0 109.345 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.31 -7.08 50.04 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 124.133 0.895 . . . . 0.0 112.663 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 t -101.54 15.0 30.27 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 115.627 -2.429 . . . . 0.0 112.017 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.81 80.02 Favored Glycine 0 C--N 1.297 -1.585 0 O-C-N 120.181 -1.575 . . . . 0.0 116.047 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.54 138.08 34.66 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 174.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.7 p -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.582 2.426 . . . . 0.0 105.885 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.4 mp -109.62 141.98 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 127.68 3.112 . . . . 0.0 108.851 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.6 t -101.43 139.66 36.79 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.177 -1.809 . . . . 0.0 108.207 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.36 154.16 43.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 115.452 -2.213 . . . . 0.0 108.322 -179.23 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.84 121.0 43.87 Favored 'General case' 0 N--CA 1.498 1.942 1 O-C-N 129.173 4.046 . . . . 0.0 103.664 173.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.96 170.56 16.03 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 O-C-N 127.511 3.007 . . . . 0.0 111.227 -177.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -119.96 144.55 37.74 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 112.318 -2.219 . . . . 0.0 106.382 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -55.04 -24.21 39.07 Favored 'Trans proline' 0 C--N 1.319 -0.987 0 C-N-CA 122.448 2.098 . . . . 0.0 112.007 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 p -80.19 -8.01 59.23 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.886 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -71.04 148.4 47.61 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 117.409 -1.717 . . . . 0.0 109.782 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.834 HG21 ' H ' ' A' ' 25' ' ' ASN . 0.5 OUTLIER -83.79 160.49 21.21 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.795 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.44 -37.01 76.77 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 O-C-N 127.139 2.774 . . . . 0.0 110.263 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' H ' HG23 ' A' ' 22' ' ' THR . 0.7 OUTLIER -57.66 -40.18 78.74 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.252 -0.905 . . . . 0.0 110.698 177.038 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.834 ' H ' HG21 ' A' ' 22' ' ' THR . 99.2 m-20 -68.31 -41.85 80.25 Favored 'General case' 0 C--O 1.263 1.804 0 O-C-N 121.959 -0.463 . . . . 0.0 110.982 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -46.46 88.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 O-C-N 124.379 1.049 . . . . 0.0 109.237 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' HG2' ' CD ' ' A' ' 41' ' ' GLN . 17.7 mtpt -60.78 -37.93 83.57 Favored 'General case' 0 C--O 1.259 1.591 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.806 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.12 87.26 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 118.14 0.427 . . . . 0.0 111.065 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -64.19 -37.37 87.23 Favored 'General case' 0 C--O 1.255 1.363 0 O-C-N 120.484 -1.385 . . . . 0.0 110.703 176.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -70.03 -39.51 77.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -62.23 -48.73 78.69 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 125.492 2.567 . . . . 0.0 109.086 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.24 -41.76 65.74 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-N 113.534 -1.667 . . . . 0.0 111.98 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 7.0 tttt -93.57 -24.23 18.02 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -175.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -123.4 -6.41 8.19 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 123.08 2.673 . . . . 0.0 114.314 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.53 90.05 Favored Glycine 0 CA--C 1.476 -2.36 0 N-CA-C 119.004 2.362 . . . . 0.0 119.004 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 57.0 mt -79.78 124.71 83.3 Favored Pre-proline 0 C--O 1.244 0.799 0 C-N-CA 118.914 -1.114 . . . . 0.0 110.968 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 83.1 Cg_exo -56.97 136.94 79.62 Favored 'Trans proline' 0 C--O 1.257 1.462 0 C-N-CA 123.284 2.656 . . . . 0.0 110.778 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -57.26 -31.89 92.08 Favored 'Trans proline' 0 C--O 1.262 1.705 0 O-C-N 122.963 0.981 . . . . 0.0 113.645 -179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.5 -15.3 63.49 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.839 -1.788 . . . . 0.0 112.219 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -96.06 -10.22 28.96 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.77 -1.206 . . . . 0.0 111.999 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.412 ' CD ' ' HG2' ' A' ' 27' ' ' LYS . 4.9 tm0? -84.84 129.57 34.79 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 124.379 2.038 . . . . 0.0 115.767 -177.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 116.06 24.33 Favored 'General case' 0 C--O 1.298 3.653 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 171.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.2 mt -103.46 130.17 50.76 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 119.495 1.043 . . . . 0.0 109.95 -177.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mp -122.01 131.82 72.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 125.05 1.469 . . . . 0.0 111.987 -177.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -144.33 129.56 18.73 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 46.03 19.82 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 112.25 -2.25 . . . . 0.0 110.743 177.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.72 21.67 61.0 Favored Glycine 0 N--CA 1.431 -1.659 0 C-N-CA 128.598 2.999 . . . . 0.0 117.538 -179.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -115.11 142.83 46.12 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.82 130.25 34.6 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 103.769 -2.678 . . . . 0.0 103.769 174.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.41 138.08 37.5 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 117.605 -1.188 . . . . 0.0 110.272 -176.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.78 140.08 36.55 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 125.103 1.502 . . . . 0.0 109.934 -177.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -47.96 -42.53 27.8 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.783 3.623 . . . . 0.0 120.783 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.79 85.57 Favored Glycine 0 CA--C 1.49 -1.508 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mtt-85 -85.54 165.44 17.09 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 119.811 -1.994 . . . . 0.0 107.952 176.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.437 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.4 p -104.52 164.88 11.43 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -35.93 79.56 Favored 'General case' 0 C--O 1.203 -1.358 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -64.19 -29.46 70.57 Favored 'General case' 0 C--O 1.267 1.996 0 C-N-CA 117.247 -1.781 . . . . 0.0 112.216 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.48 -39.64 70.66 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 122.476 1.131 . . . . 0.0 110.683 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -90.76 4.72 50.84 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 117.701 -1.142 . . . . 0.0 113.064 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t30 58.12 45.16 18.07 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 121.583 1.992 . . . . 0.0 111.184 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.9 mt -88.75 116.51 30.53 Favored 'Isoleucine or valine' 0 C--O 1.267 2.017 0 CA-C-O 115.152 -2.356 . . . . 0.0 106.202 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -103.52 169.76 8.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 126.093 2.121 . . . . 0.0 109.289 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -54.92 142.89 27.95 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.274 1.511 . . . . 0.0 109.076 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.09 19.22 10.49 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -71.19 159.58 34.4 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 t -119.2 126.8 52.4 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 118.12 -0.943 . . . . 0.0 108.834 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mt -103.21 154.54 19.22 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 114.82 -2.514 . . . . 0.0 105.62 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -105.58 135.61 46.68 Favored 'General case' 0 C--N 1.288 -2.106 0 O-C-N 127.323 2.889 . . . . 0.0 105.888 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.84 115.84 30.88 Favored 'General case' 0 C--O 1.284 2.896 0 CA-C-O 117.636 -1.174 . . . . 0.0 111.454 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.7 t -108.12 139.91 28.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 103.574 -2.75 . . . . 0.0 103.574 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mp -96.14 138.95 33.0 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.302 0.572 . . . . 0.0 109.816 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -68.77 141.85 55.1 Favored 'General case' 0 C--N 1.279 -2.491 0 CA-C-O 113.141 -3.314 . . . . 0.0 105.533 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 tp 59.64 61.79 1.88 Allowed 'General case' 0 C--N 1.291 -1.975 0 O-C-N 125.946 2.029 . . . . 0.0 109.568 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.83 80.45 5.25 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 113.705 -1.589 . . . . 0.0 108.844 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 126.07 -124.82 5.3 Favored Glycine 0 C--O 1.245 0.826 0 CA-C-N 114.541 -1.208 . . . . 0.0 115.21 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 N-CA-C 108.285 -1.926 . . . . 0.0 108.285 179.504 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.01 138.47 31.58 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 127.194 2.809 . . . . 0.0 108.83 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.11 163.02 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 CA-C-O 115.788 -2.053 . . . . 0.0 105.907 173.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 47.3 m-85 -115.97 140.19 49.5 Favored 'General case' 0 N--CA 1.513 2.715 1 O-C-N 130.568 4.918 . . . . 0.0 108.57 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -117.96 114.1 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.794 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 127.57 41.22 Favored 'General case' 0 N--CA 1.502 2.148 1 O-C-N 129.171 4.044 . . . . 0.0 108.245 -178.15 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.2 p -99.51 170.83 8.33 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 117.795 -1.098 . . . . 0.0 109.238 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.4 -7.05 50.07 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.085 0.865 . . . . 0.0 112.806 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.1 14.72 31.06 Favored 'General case' 0 N--CA 1.506 2.326 0 C-N-CA 115.74 -2.384 . . . . 0.0 112.028 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.48 16.7 80.05 Favored Glycine 0 C--N 1.295 -1.699 0 O-C-N 120.202 -1.561 . . . . 0.0 116.069 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.16 137.87 34.6 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -119.91 131.85 55.35 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 126.409 2.318 . . . . 0.0 106.199 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.1 mm -109.42 141.77 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 127.794 3.184 . . . . 0.0 109.104 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.4 m -101.15 139.86 36.25 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 117.01 -1.876 . . . . 0.0 108.377 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.51 154.06 44.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 115.6 -2.143 . . . . 0.0 108.352 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.77 121.16 44.33 Favored 'General case' 0 N--CA 1.495 1.821 1 O-C-N 129.16 4.038 . . . . 0.0 103.543 174.049 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.05 170.57 15.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 O-C-N 127.841 3.213 . . . . 0.0 111.246 -177.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -120.01 144.62 37.99 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-N 112.158 -2.292 . . . . 0.0 106.328 174.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.95 -24.69 40.53 Favored 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 122.702 2.268 . . . . 0.0 111.523 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -8.34 59.19 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 121.154 -0.967 . . . . 0.0 110.99 -177.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.89 148.56 47.65 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 117.302 -1.759 . . . . 0.0 109.803 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.1 p -84.0 160.52 21.0 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 175.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.41 -36.77 75.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 126.899 2.624 . . . . 0.0 110.385 175.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -42.93 77.76 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 120.405 -1.434 . . . . 0.0 110.966 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -44.64 90.86 Favored 'General case' 0 C--O 1.25 1.107 0 C-N-CA 124.305 1.042 . . . . 0.0 111.442 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.53 -46.33 89.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.997 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.448 ' O ' HG22 ' B' ' 30' ' ' ILE . 74.8 mttt -60.77 -37.96 83.65 Favored 'General case' 0 C--O 1.254 1.335 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.845 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.07 87.13 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 123.495 0.497 . . . . 0.0 111.379 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -64.03 -37.41 87.33 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-O 122.959 1.361 . . . . 0.0 110.81 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.448 HG22 ' O ' ' B' ' 27' ' ' LYS . 1.8 tp -69.75 -39.73 78.31 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.9 -48.87 78.54 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-O 125.597 2.618 . . . . 0.0 109.038 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -41.84 66.38 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-N 113.687 -1.597 . . . . 0.0 111.821 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 10.7 tttt -93.37 -24.35 18.12 Favored 'General case' 0 C--O 1.28 2.683 0 N-CA-C 117.184 2.29 . . . . 0.0 117.184 -175.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -123.64 -6.33 8.06 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 122.959 2.618 . . . . 0.0 113.855 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.91 5.7 89.93 Favored Glycine 0 CA--C 1.476 -2.363 0 N-CA-C 118.708 2.243 . . . . 0.0 118.708 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 0.9 OUTLIER -79.88 125.07 82.84 Favored Pre-proline 0 C--O 1.241 0.641 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.075 179.593 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 86.6 Cg_exo -57.27 137.14 80.32 Favored 'Trans proline' 0 C--O 1.255 1.333 0 C-N-CA 122.829 2.352 . . . . 0.0 110.844 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -57.25 -32.31 93.27 Favored 'Trans proline' 0 C--O 1.261 1.65 0 O-C-N 123.046 1.024 . . . . 0.0 113.287 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -68.21 -15.58 63.63 Favored 'General case' 0 C--O 1.264 1.843 0 O-C-N 119.981 -1.699 . . . . 0.0 112.236 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.825 ' O ' HD22 ' B' ' 71' ' ' LEU . 0.2 OUTLIER -95.47 -10.54 29.52 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 120.557 -1.34 . . . . 0.0 112.324 178.367 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -84.87 129.74 34.76 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.23 1.967 . . . . 0.0 115.791 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.6 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 0.9 OUTLIER -121.24 115.99 24.04 Favored 'General case' 0 C--O 1.298 3.656 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.28 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 tp -103.51 130.27 50.86 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 119.563 1.074 . . . . 0.0 110.048 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.55 HG23 ' O ' ' B' ' 68' ' ' HIS . 0.1 OUTLIER -122.02 131.65 72.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 O-C-N 125.112 1.507 . . . . 0.0 111.987 -177.509 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -144.23 129.69 18.96 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.25 45.99 20.0 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 112.053 -2.339 . . . . 0.0 110.618 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 20.23 59.47 Favored Glycine 0 C--N 1.298 -1.554 0 C-N-CA 128.229 2.823 . . . . 0.0 117.379 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -109.89 143.78 39.31 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 115.344 -2.265 . . . . 0.0 111.0 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -87.12 130.31 34.57 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 104.026 -2.583 . . . . 0.0 104.026 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.64 138.43 37.4 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.151 -175.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.97 140.06 36.77 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 125.209 1.568 . . . . 0.0 109.911 -177.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -48.37 -41.95 30.21 Favored 'General case' 0 C--O 1.263 1.812 0 N-CA-C 120.748 3.61 . . . . 0.0 120.748 -175.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.21 -8.58 85.18 Favored Glycine 0 N--CA 1.477 1.385 0 N-CA-C 115.976 1.151 . . . . 0.0 115.976 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -85.57 165.31 17.17 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 120.132 -1.805 . . . . 0.0 108.019 176.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 8.1 p -104.22 164.48 11.69 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 176.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -36.28 79.38 Favored 'General case' 0 C--O 1.201 -1.478 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.8 p -63.68 -29.81 70.99 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 117.301 -1.76 . . . . 0.0 112.226 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -39.01 70.21 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 122.568 1.175 . . . . 0.0 110.843 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -91.18 4.58 51.88 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.611 -1.185 . . . . 0.0 112.878 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.88 45.43 18.41 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-N 121.672 2.033 . . . . 0.0 111.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 6.9 mt -88.78 116.29 30.16 Favored 'Isoleucine or valine' 0 C--O 1.271 2.19 0 CA-C-O 115.019 -2.419 . . . . 0.0 106.273 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.31 169.56 8.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 126.128 2.143 . . . . 0.0 109.677 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 142.98 28.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.093 1.425 . . . . 0.0 109.272 -176.638 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 67.05 19.04 10.56 Favored 'General case' 0 C--O 1.257 1.461 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 3.5 m -71.1 159.52 34.55 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 174.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.1 m -118.98 126.59 52.1 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 118.236 -0.888 . . . . 0.0 108.809 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.1 154.62 19.1 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.666 -2.588 . . . . 0.0 105.794 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.55 ' O ' HG23 ' B' ' 44' ' ' ILE . 10.3 t60 -105.62 135.8 46.37 Favored 'General case' 0 C--N 1.283 -2.323 0 O-C-N 127.597 3.061 . . . . 0.0 105.643 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 tt -107.1 115.68 30.6 Favored 'General case' 0 C--O 1.284 2.884 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.433 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -108.04 139.9 28.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 103.483 -2.784 . . . . 0.0 103.483 175.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.981 ' C ' HD23 ' B' ' 71' ' ' LEU . 0.1 OUTLIER -96.14 -83.41 0.37 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.053 0.454 . . . . 0.0 109.849 178.382 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.578 ' N ' HD23 ' B' ' 71' ' ' LEU . 0.0 OUTLIER 67.7 -136.56 0.11 Allowed 'General case' 0 C--N 1.278 -2.534 0 CA-C-O 113.418 -3.182 . . . . 0.0 105.395 177.327 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.5 -164.02 0.07 Allowed 'General case' 0 C--N 1.295 -1.804 0 O-C-N 125.75 1.907 . . . . 0.0 109.675 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.6 110.01 22.14 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 113.771 -1.559 . . . . 0.0 108.766 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.42 -117.76 0.89 Allowed Glycine 0 C--O 1.245 0.81 0 CA-C-N 114.807 -1.088 . . . . 0.0 115.16 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.572 0 CA-C-O 116.53 -2.261 . . . . 0.0 108.289 179.025 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 121.964 0.888 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.32 85.89 0.09 Allowed 'General case' 0 C--N 1.29 -2.005 0 O-C-N 119.056 -2.278 . . . . 0.0 111.007 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.16 90.49 0.82 Allowed 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.805 2.042 . . . . 0.0 110.711 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -89.0 137.87 31.92 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.583 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.18 -39.65 75.12 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.66 0.743 . . . . 0.0 111.8 172.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -144.36 136.13 21.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.154 1.382 . . . . 0.0 107.375 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.35 148.09 34.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 119.674 -0.81 . . . . 0.0 110.477 165.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -161.02 155.2 22.85 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.182 0.926 . . . . 0.0 111.238 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -72.3 127.88 33.91 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.181 -1.372 . . . . 0.0 112.309 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.23 147.65 6.66 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.111 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.85 25.2 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -109.17 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 20.0 mtt -137.16 161.0 37.34 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 3.0 m -136.6 156.57 48.39 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.804 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.32 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.324 -1.911 . . . . 0.0 108.324 -169.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.56 18.45 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.374 -0.413 . . . . 0.0 109.969 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.96 122.62 48.27 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.2 120.06 25.5 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -124.09 119.37 26.53 Favored Pre-proline 0 C--O 1.244 0.815 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.141 -173.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.9 134.75 58.79 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-O 122.348 0.895 . . . . 0.0 111.855 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.7 132.2 34.19 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 172.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.03 -11.18 59.58 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -172.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 144.33 56.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -173.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -68.08 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 171.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . 0.451 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.31 171.29 21.55 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.266 1.481 . . . . 0.0 115.311 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.46 124.4 36.09 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 175.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 77.3 t -90.97 137.54 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 164.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -151.88 157.8 42.35 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.973 0.892 . . . . 0.0 112.999 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 5.9 mt -118.83 131.03 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.559 -1.655 . . . . 0.0 108.351 174.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -133.97 137.66 44.95 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -100.2 122.08 42.46 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.246 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.04 171.15 13.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.296 177.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -71.66 -10.37 59.67 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -170.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.64 7.35 14.99 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.264 -0.174 . . . . 0.0 110.994 170.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 14.7 t 73.84 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.45 1.5 . . . . 0.0 114.713 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 73.6 mt -74.89 149.96 39.32 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.21 -0.996 . . . . 0.0 113.087 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 3.6 mp -102.25 129.03 54.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.145 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 28.0 m80 -117.54 125.29 50.57 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -98.74 118.99 36.72 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -127.71 156.86 41.72 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.48 128.26 40.88 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 113.505 -1.679 . . . . 0.0 108.723 169.314 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.63 134.32 55.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.782 -176.272 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -74.26 115.32 13.63 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 173.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -64.06 -32.35 73.87 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 72.5 p -72.56 -46.15 55.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 48.4 t -91.45 -20.5 21.7 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.535 -176.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.67 2.6 60.97 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 119.685 -0.508 . . . . 0.0 113.671 -171.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.51 130.01 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.685 1.242 . . . . 0.0 113.173 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -94.54 -28.84 15.21 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.913 -171.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.0 135.57 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.903 0.859 . . . . 0.0 109.386 177.633 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.02 103.37 2.39 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.06 123.24 45.15 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.253 -174.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 3.4 mp -75.87 124.3 33.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.434 1.112 . . . . 0.0 111.661 168.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -123.04 130.28 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.372 0 CA-C-N 114.581 -1.19 . . . . 0.0 109.613 -174.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -101.2 158.91 30.89 Favored Pre-proline 0 C--O 1.241 0.652 0 O-C-N 124.45 1.093 . . . . 0.0 110.905 173.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.24 133.85 57.78 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.949 2.432 . . . . 0.0 111.327 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.81 5.89 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -70.37 -33.66 71.69 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.986 0.812 . . . . 0.0 109.56 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 168.12 27.98 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.441 -1.304 . . . . 0.0 113.601 -173.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.42 139.32 46.68 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.434 -1.712 . . . . 0.0 106.973 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -106.71 124.26 49.35 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.58 156.49 42.49 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.82 142.84 56.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.35 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . 0.409 ' HB ' HG22 ' C' ' 93' ' ' VAL . 4.4 t -94.32 98.33 2.89 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 171.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -60.92 -31.99 92.09 Favored 'Trans proline' 0 C--N 1.329 -0.451 0 N-CA-C 117.816 2.199 . . . . 0.0 117.816 -167.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -91.0 8.53 34.83 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.972 -1.491 . . . . 0.0 112.306 -164.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . 0.488 ' HB3' HG23 ' C' ' 93' ' ' VAL . 8.8 t -85.04 119.66 72.76 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.0 -19.85 34.29 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.403 -173.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -65.48 -34.64 78.76 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.501 0.591 . . . . 0.0 110.092 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.41 13.07 64.7 Favored Glycine 0 CA--C 1.505 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.569 -172.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -120.92 17.0 11.78 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . 0.488 HG23 ' HB3' ' C' ' 88' ' ' CYS . 3.1 m -97.08 133.48 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . 0.479 ' CE2' ' HB2' ' C' ' 109' ' ' MET . 1.0 OUTLIER -125.05 151.76 45.2 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 125.551 1.782 . . . . 0.0 110.402 178.647 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.04 135.43 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 tp -95.48 108.07 20.28 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -109.19 125.26 52.03 Favored 'General case' 0 CA--C 1.485 -1.525 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -171.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -84.79 115.65 22.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.122 0.888 . . . . 0.0 109.262 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -63.39 -25.12 68.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.447 -169.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.29 115.19 28.9 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . 0.6 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.93 172.38 27.69 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -172.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.45 9.15 33.02 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 122.04 -0.682 . . . . 0.0 110.562 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.76 129.21 38.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.876 -1.53 . . . . 0.0 110.593 -165.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.02 141.79 46.25 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.908 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.8 mt -124.54 126.21 45.46 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.91 143.62 30.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.306 -177.5 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -137.04 156.75 48.03 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.297 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -131.5 126.63 35.45 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.372 175.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 109' ' ' MET . . . . . 0.479 ' HB2' ' CE2' ' C' ' 94' ' ' TYR . 54.3 tpp -62.73 137.75 58.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.257 -174.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -118.86 4.05 11.52 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.256 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.33 135.92 93.92 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.099 1.428 . . . . 0.0 108.623 172.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.25 -41.43 42.37 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 146.93 24.22 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 121.115 0.484 . . . . 0.0 110.532 173.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 12.3 t -83.47 -9.26 59.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.187 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.18 5.73 37.91 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -174.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -56.85 -48.78 77.28 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.352 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -32.21 70.55 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.313 -0.955 . . . . 0.0 110.593 -173.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -67.35 -43.99 80.13 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -55.62 -45.87 77.45 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.985 -1.072 . . . . 0.0 112.322 173.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 36.3 t -60.58 -43.08 97.73 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.676 0.751 . . . . 0.0 110.333 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.9 -43.48 98.75 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.128 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -42.27 96.6 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 29.6 t -52.37 -51.87 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.408 175.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -60.31 -39.51 87.27 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -178.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -46.01 81.92 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.429 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -78.97 -24.49 43.8 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 119.502 -0.879 . . . . 0.0 112.412 -174.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.504 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.03 -36.13 41.56 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.78 -0.768 . . . . 0.0 112.245 174.519 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . 0.504 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 19.7 t-20 -110.74 -11.04 14.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -168.542 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -141.26 71.88 26.96 Favored Pre-proline 0 N--CA 1.467 0.413 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 169.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -79.34 171.48 15.99 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.63 1.553 . . . . 0.0 111.577 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 C--N 1.292 -2.446 0 C-N-CA 122.51 2.14 . . . . 0.0 111.576 179.709 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.17 138.21 31.77 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 126.823 2.577 . . . . 0.0 108.882 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.4 pp -131.27 163.08 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.362 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.93 140.26 49.42 Favored 'General case' 0 N--CA 1.513 2.721 1 O-C-N 130.514 4.883 . . . . 0.0 108.774 179.672 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.8 t -118.09 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-O 113.397 -3.192 . . . . 0.0 105.634 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.23 127.53 41.35 Favored 'General case' 0 N--CA 1.505 2.306 1 O-C-N 129.304 4.128 . . . . 0.0 107.892 -178.081 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -99.66 170.79 8.33 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.896 -1.049 . . . . 0.0 109.324 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.31 -7.04 49.89 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 124.104 0.878 . . . . 0.0 112.697 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.51 14.95 30.4 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.686 -2.406 . . . . 0.0 112.04 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.8 80.03 Favored Glycine 0 C--N 1.298 -1.56 0 O-C-N 120.158 -1.588 . . . . 0.0 115.972 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.5 138.1 34.58 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 p -119.95 131.69 55.27 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 126.683 2.489 . . . . 0.0 105.916 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.59 142.01 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 127.639 3.087 . . . . 0.0 108.831 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 t -101.47 139.67 36.8 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 117.142 -1.823 . . . . 0.0 108.098 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -126.38 154.08 44.06 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.327 -179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -111.83 121.0 43.87 Favored 'General case' 0 N--CA 1.5 2.059 1 O-C-N 129.287 4.117 . . . . 0.0 103.627 173.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.92 170.64 15.96 Favored 'Isoleucine or valine' 0 C--O 1.254 1.33 0 O-C-N 127.558 3.036 . . . . 0.0 111.22 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 144.49 37.75 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 112.338 -2.21 . . . . 0.0 106.335 174.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -54.83 -24.51 38.81 Favored 'Trans proline' 0 C--N 1.322 -0.848 0 C-N-CA 122.537 2.158 . . . . 0.0 111.987 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -79.91 -8.17 59.17 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.962 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.99 148.42 47.67 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 117.497 -1.681 . . . . 0.0 109.814 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.76 160.5 21.24 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 175.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 mm -61.47 -37.05 76.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 O-C-N 127.168 2.792 . . . . 0.0 110.235 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -57.57 -40.16 78.36 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.344 -0.847 . . . . 0.0 110.753 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.28 -41.98 80.22 Favored 'General case' 0 C--O 1.262 1.724 0 O-C-N 121.857 -0.527 . . . . 0.0 110.948 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.15 -46.46 88.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 O-C-N 124.453 1.096 . . . . 0.0 109.167 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -60.92 -37.81 83.6 Favored 'General case' 0 C--O 1.258 1.543 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.717 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.01 86.65 Favored 'General case' 0 C--O 1.276 2.485 0 CA-C-N 118.132 0.424 . . . . 0.0 111.099 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.11 -37.52 87.74 Favored 'General case' 0 C--O 1.254 1.333 0 CA-C-O 123.074 1.416 . . . . 0.0 110.712 176.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.94 -39.53 77.63 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -62.22 -48.71 78.79 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 125.574 2.607 . . . . 0.0 109.118 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -53.26 -41.72 65.78 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.378 -1.737 . . . . 0.0 111.949 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 3.4 tptm -93.59 -24.22 18.01 Favored 'General case' 0 C--O 1.281 2.755 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.48 -6.44 8.14 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.132 2.696 . . . . 0.0 114.173 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.66 89.99 Favored Glycine 0 CA--C 1.478 -2.254 0 N-CA-C 118.855 2.302 . . . . 0.0 118.855 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.1 mt -79.79 124.77 83.24 Favored Pre-proline 0 C--O 1.244 0.786 0 C-N-CA 118.841 -1.144 . . . . 0.0 110.972 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 84.0 Cg_exo -56.91 136.81 78.73 Favored 'Trans proline' 0 C--O 1.259 1.541 0 C-N-CA 123.305 2.67 . . . . 0.0 110.825 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.1 -32.04 92.12 Favored 'Trans proline' 0 C--O 1.264 1.795 0 O-C-N 122.984 0.992 . . . . 0.0 113.568 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -68.49 -15.37 63.52 Favored 'General case' 0 C--O 1.261 1.669 0 O-C-N 119.87 -1.769 . . . . 0.0 112.169 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.95 -10.25 29.15 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.596 -1.315 . . . . 0.0 112.054 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -84.99 129.69 34.75 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 124.425 2.059 . . . . 0.0 115.669 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 116.04 24.28 Favored 'General case' 0 C--O 1.299 3.683 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 171.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.1 mt -103.59 130.22 50.98 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 119.597 1.09 . . . . 0.0 109.889 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.424 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -122.03 131.86 72.22 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 O-C-N 125.066 1.479 . . . . 0.0 111.923 -177.558 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -144.41 129.57 18.65 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.21 46.06 19.88 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 112.257 -2.247 . . . . 0.0 110.735 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.71 21.65 60.95 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.564 2.983 . . . . 0.0 117.481 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -114.96 142.82 46.09 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -85.93 130.25 34.6 Favored 'General case' 0 C--O 1.257 1.479 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.44 137.99 37.44 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.206 -176.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.7 140.03 36.54 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.058 1.474 . . . . 0.0 110.02 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -47.9 -42.42 26.91 Favored 'General case' 0 C--O 1.264 1.831 0 N-CA-C 120.779 3.622 . . . . 0.0 120.779 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.78 -8.91 85.29 Favored Glycine 0 CA--C 1.49 -1.481 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -85.46 165.34 17.24 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 119.775 -2.015 . . . . 0.0 107.96 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 2.1 p -104.45 164.81 11.48 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mp -61.54 -36.04 79.46 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -29.4 70.52 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 117.253 -1.779 . . . . 0.0 112.231 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -39.57 70.68 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.46 1.124 . . . . 0.0 110.716 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -90.78 4.59 51.23 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 117.619 -1.182 . . . . 0.0 112.969 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 58.1 45.23 18.02 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 121.559 1.981 . . . . 0.0 111.188 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -88.69 116.57 30.59 Favored 'Isoleucine or valine' 0 C--O 1.266 1.944 0 CA-C-O 115.115 -2.374 . . . . 0.0 106.192 175.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.63 169.71 8.37 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 126.151 2.157 . . . . 0.0 109.326 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.86 142.95 27.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.262 1.506 . . . . 0.0 109.045 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 67.01 19.13 10.59 Favored 'General case' 0 C--O 1.255 1.379 0 N-CA-C 117.976 2.584 . . . . 0.0 117.976 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.15 159.5 34.57 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.1 126.79 52.47 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 118.19 -0.91 . . . . 0.0 108.814 175.77 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.18 154.56 19.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 114.685 -2.579 . . . . 0.0 105.583 175.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -105.63 135.66 46.62 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 127.474 2.984 . . . . 0.0 105.817 177.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tt -106.89 115.81 30.83 Favored 'General case' 0 C--O 1.286 2.978 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.478 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.0 t -107.99 139.96 28.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 174.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.2 138.93 33.09 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.342 0.591 . . . . 0.0 109.735 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -76.14 155.83 34.29 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-O 113.171 -3.299 . . . . 0.0 105.601 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.3 mt -102.98 144.59 31.07 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 125.87 1.981 . . . . 0.0 109.551 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 123.91 51.16 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 113.582 -1.645 . . . . 0.0 108.882 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.88 126.54 0.01 OUTLIER Glycine 0 C--O 1.246 0.854 0 CA-C-N 114.579 -1.191 . . . . 0.0 115.097 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.549 0 N-CA-C 108.286 -1.926 . . . . 0.0 108.286 179.522 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -90.9 138.43 31.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 127.154 2.784 . . . . 0.0 108.837 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.13 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-O 115.85 -2.024 . . . . 0.0 105.907 173.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 1.347 ' HD1' ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -115.99 140.17 49.53 Favored 'General case' 0 N--CA 1.515 2.788 1 O-C-N 130.521 4.888 . . . . 0.0 108.593 179.75 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.476 ' N ' ' CD1' ' B' ' 4' ' ' PHE . 38.4 t -117.96 114.05 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.755 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.859 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.06 127.62 41.26 Favored 'General case' 0 N--CA 1.502 2.161 1 O-C-N 129.193 4.058 . . . . 0.0 108.164 -178.135 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.54 170.73 8.39 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.708 -1.139 . . . . 0.0 109.372 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.29 -6.99 49.61 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 124.101 0.876 . . . . 0.0 112.937 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.19 14.8 30.83 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 115.637 -2.425 . . . . 0.0 111.988 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.6 80.17 Favored Glycine 0 C--N 1.296 -1.687 0 O-C-N 120.351 -1.468 . . . . 0.0 116.074 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.14 137.93 34.49 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 174.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.9 131.9 55.38 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 126.39 2.306 . . . . 0.0 106.206 176.118 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -109.53 141.82 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 127.771 3.17 . . . . 0.0 109.05 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.0 p -101.17 139.94 36.16 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 116.939 -1.904 . . . . 0.0 108.392 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.58 154.02 44.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 115.515 -2.183 . . . . 0.0 108.356 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.78 121.12 44.22 Favored 'General case' 0 N--CA 1.496 1.825 1 O-C-N 129.212 4.07 . . . . 0.0 103.536 174.064 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.07 170.55 15.94 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 O-C-N 127.769 3.168 . . . . 0.0 111.219 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -119.99 144.58 37.87 Favored Pre-proline 0 C--N 1.312 -1.049 0 CA-C-N 112.093 -2.321 . . . . 0.0 106.315 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -54.93 -24.67 40.24 Favored 'Trans proline' 0 C--N 1.318 -1.059 0 C-N-CA 122.563 2.175 . . . . 0.0 111.505 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.6 t -79.87 -8.24 59.18 Favored 'General case' 0 C--O 1.242 0.711 0 O-C-N 121.139 -0.975 . . . . 0.0 110.935 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.98 148.49 47.61 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.409 -1.716 . . . . 0.0 109.737 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.491 ' O ' HG13 ' B' ' 26' ' ' VAL . 2.6 p -83.92 160.5 21.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.592 ' O ' HG21 ' B' ' 26' ' ' VAL . 1.4 mp -61.43 -36.73 75.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 126.853 2.596 . . . . 0.0 110.41 175.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.78 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.22 -42.89 77.96 Favored 'General case' 0 C--O 1.253 1.268 0 O-C-N 120.481 -1.387 . . . . 0.0 110.952 176.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -64.38 -44.64 90.73 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 124.237 1.015 . . . . 0.0 111.433 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.592 HG21 ' O ' ' B' ' 23' ' ' ILE . 0.9 OUTLIER -58.51 -46.39 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.282 -1.326 . . . . 0.0 108.893 179.004 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 31.4 mtmt -60.66 -38.12 83.83 Favored 'General case' 0 C--O 1.255 1.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.816 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.21 -37.98 86.86 Favored 'General case' 0 C--O 1.278 2.568 0 O-C-N 123.471 0.482 . . . . 0.0 111.391 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -63.93 -37.54 87.78 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 120.45 -1.407 . . . . 0.0 110.816 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -69.69 -39.74 78.46 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.95 -48.85 78.52 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 125.572 2.605 . . . . 0.0 108.995 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -41.81 66.07 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 113.566 -1.652 . . . . 0.0 111.906 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.327 1.7 mttt -93.31 -24.46 18.12 Favored 'General case' 0 C--O 1.28 2.709 0 N-CA-C 117.213 2.301 . . . . 0.0 117.213 -175.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -123.68 -6.33 8.04 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 122.933 2.606 . . . . 0.0 113.767 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.67 89.99 Favored Glycine 0 CA--C 1.475 -2.409 0 N-CA-C 118.782 2.273 . . . . 0.0 118.782 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.432 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 62.7 mt -79.95 125.03 82.79 Favored Pre-proline 0 C--O 1.241 0.632 0 C-N-CA 118.759 -1.176 . . . . 0.0 111.022 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 84.6 Cg_exo -57.17 137.03 79.97 Favored 'Trans proline' 0 C--O 1.256 1.402 0 C-N-CA 122.93 2.42 . . . . 0.0 110.876 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -57.22 -32.27 93.06 Favored 'Trans proline' 0 C--O 1.26 1.609 0 O-C-N 123.044 1.023 . . . . 0.0 113.342 -179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.24 -15.57 63.63 Favored 'General case' 0 C--O 1.264 1.855 0 O-C-N 120.089 -1.632 . . . . 0.0 112.281 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.662 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 16.2 mm100 -95.44 -10.62 29.38 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.505 -1.372 . . . . 0.0 112.252 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -84.91 129.61 34.78 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 124.287 1.994 . . . . 0.0 115.7 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -121.14 116.09 24.31 Favored 'General case' 0 C--O 1.298 3.634 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 172.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.5 130.32 50.85 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.487 1.039 . . . . 0.0 109.975 -177.609 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mt -121.99 131.62 72.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 O-C-N 125.075 1.484 . . . . 0.0 112.07 -177.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -144.27 129.88 19.1 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.9 19.6 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 111.889 -2.414 . . . . 0.0 110.71 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.93 20.24 59.78 Favored Glycine 0 C--N 1.298 -1.533 0 C-N-CA 128.159 2.79 . . . . 0.0 117.274 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -109.93 143.76 39.4 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 115.329 -2.272 . . . . 0.0 110.953 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.424 ' O ' ' HG2' ' B' ' 49' ' ' GLN . 3.3 pm0 -87.07 130.46 34.48 Favored 'General case' 0 C--N 1.28 -2.451 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 173.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 15.6 mt -79.7 138.4 37.33 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 117.631 -1.176 . . . . 0.0 110.055 -175.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -101.9 139.93 36.87 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 125.211 1.569 . . . . 0.0 109.976 -177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.78 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.7 OUTLIER -48.19 -42.01 28.69 Favored 'General case' 0 C--O 1.262 1.711 0 N-CA-C 120.813 3.634 . . . . 0.0 120.813 -175.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.32 -8.42 85.23 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 115.989 1.155 . . . . 0.0 115.989 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mmt85 -85.64 165.38 17.05 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.13 -1.806 . . . . 0.0 107.998 176.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 10.2 p -104.42 164.49 11.7 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.061 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.06 -36.35 79.37 Favored 'General case' 0 C--O 1.199 -1.554 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 177.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.5 p -63.61 -29.89 71.07 Favored 'General case' 0 C--O 1.266 1.95 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.243 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.64 -39.07 70.38 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 122.506 1.146 . . . . 0.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -91.04 4.4 52.2 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.553 -1.213 . . . . 0.0 112.887 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.02 45.4 18.0 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 121.695 2.043 . . . . 0.0 111.242 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 74.3 mt -88.79 116.22 30.05 Favored 'Isoleucine or valine' 0 C--O 1.27 2.15 0 CA-C-O 115.045 -2.407 . . . . 0.0 106.273 175.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -103.33 169.57 8.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 126.088 2.117 . . . . 0.0 109.703 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.81 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 123.236 1.493 . . . . 0.0 109.26 -176.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.1 18.96 10.5 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 117.857 2.54 . . . . 0.0 117.857 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -71.06 159.55 34.52 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.615 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 0.6 OUTLIER -119.03 126.62 52.13 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 118.263 -0.875 . . . . 0.0 108.833 175.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.477 ' O ' ' HE1' ' B' ' 4' ' ' PHE . 10.1 mp -103.17 154.63 19.11 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 114.654 -2.593 . . . . 0.0 105.732 175.052 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -105.67 135.76 46.5 Favored 'General case' 0 C--N 1.282 -2.347 0 O-C-N 127.608 3.068 . . . . 0.0 105.71 177.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.07 115.81 30.83 Favored 'General case' 0 C--O 1.283 2.828 0 CA-C-O 117.617 -1.183 . . . . 0.0 111.491 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 91.2 t -108.15 139.91 28.59 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 103.495 -2.779 . . . . 0.0 103.495 175.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.662 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.37 0.37 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.119 0.485 . . . . 0.0 109.836 178.499 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.631 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER 144.53 155.39 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.574 0 CA-C-O 113.324 -3.227 . . . . 0.0 105.555 -179.682 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -129.62 -37.84 1.55 Allowed 'General case' 0 C--N 1.293 -1.878 0 O-C-N 125.797 1.935 . . . . 0.0 109.71 179.473 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 172.65 179.31 0.08 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 113.82 -1.536 . . . . 0.0 108.673 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.31 121.32 0.93 Allowed Glycine 0 C--O 1.246 0.888 0 CA-C-N 114.759 -1.11 . . . . 0.0 115.161 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.461 0 CA-C-O 116.557 -2.246 . . . . 0.0 108.284 179.188 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 121.915 0.864 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -165.46 49.12 0.09 Allowed 'General case' 0 C--N 1.29 -2.002 0 O-C-N 119.06 -2.275 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -113.04 58.63 0.65 Allowed 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 126.828 2.051 . . . . 0.0 110.648 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -89.09 137.86 31.94 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.552 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -70.2 -39.56 75.1 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.614 0.721 . . . . 0.0 111.881 172.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.4 136.14 21.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.423 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.31 148.07 34.32 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.512 165.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -161.08 155.22 22.77 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.245 0.966 . . . . 0.0 111.213 173.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.2 127.8 33.68 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.33 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.2 147.69 6.71 Favored 'General case' 0 C--O 1.251 1.135 0 CA-C-O 122.067 0.936 . . . . 0.0 110.045 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.95 164.83 25.19 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.13 -179.17 3.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 14.0 mtt -137.17 161.03 37.28 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -136.59 156.53 48.44 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.146 -1.422 . . . . 0.0 108.765 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.75 116.14 28.75 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.28 -116.09 8.67 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -113.91 14.46 18.52 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.332 -0.434 . . . . 0.0 109.944 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p -111.96 122.49 47.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.13 120.02 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 17.9 m -124.05 119.38 26.58 Favored Pre-proline 0 C--O 1.244 0.815 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.141 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.99 134.85 59.05 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 117.879 -0.948 . . . . 0.0 111.872 173.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -85.62 132.13 34.22 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 172.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.91 -11.29 59.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.339 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.0 144.37 56.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -173.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 125.57 26.77 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 171.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.17 21.6 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.338 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -128.34 124.35 36.23 Favored 'General case' 0 N--CA 1.422 -1.841 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -90.94 137.52 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 164.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -151.97 157.78 42.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 122.067 0.937 . . . . 0.0 112.951 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 82.2 mt -118.79 131.06 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 113.455 -1.702 . . . . 0.0 108.417 174.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -134.02 137.69 44.89 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -100.21 122.13 42.53 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 170.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -84.09 171.18 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.204 0.526 . . . . 0.0 111.276 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.56 -10.46 59.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.7 7.4 15.0 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.255 -0.178 . . . . 0.0 110.99 171.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 73.91 -1.32 3.1 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.419 1.488 . . . . 0.0 114.647 -177.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 35.0 mt -74.95 149.97 39.2 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 119.197 -1.001 . . . . 0.0 113.007 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 mp -102.18 129.09 54.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.147 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 19.1 m80 -117.61 125.26 50.44 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -98.72 119.0 36.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 60.3 m -127.74 156.83 41.81 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -171.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . 0.435 ' CH2' ' CZ ' ' C' ' 107' ' ' PHE . 1.9 m-90 -130.36 128.25 41.05 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.778 169.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -120.66 134.42 55.28 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.749 -176.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.32 115.35 13.74 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -32.47 74.02 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 76.6 p -72.51 -46.11 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -175.011 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.41 -20.58 21.64 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.54 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.65 2.66 61.03 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.63 -0.539 . . . . 0.0 113.686 -171.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.44 130.0 39.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.718 1.259 . . . . 0.0 113.195 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -94.54 -28.83 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.931 -171.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -121.99 135.55 54.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.838 0.828 . . . . 0.0 109.415 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -155.01 103.32 2.39 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 104.445 -2.428 . . . . 0.0 104.445 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.03 123.25 45.22 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.347 -174.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 6.7 mt -75.83 124.23 33.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.456 1.122 . . . . 0.0 111.684 168.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 46.0 mm -122.98 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.43 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.613 -174.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -101.24 158.95 30.81 Favored Pre-proline 0 C--O 1.242 0.671 0 O-C-N 124.338 1.024 . . . . 0.0 110.888 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.35 133.86 58.22 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.9 2.4 . . . . 0.0 111.353 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.6 6.79 5.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 116.639 2.089 . . . . 0.0 116.639 -175.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . 0.7 ' O ' ' HD2' ' C' ' 98' ' ' PHE . 3.4 m-20 -70.34 -33.67 71.76 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.032 0.833 . . . . 0.0 109.58 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 18.0 p -154.94 168.16 27.9 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 118.424 -1.31 . . . . 0.0 113.612 -173.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -133.37 139.34 46.75 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.494 -1.684 . . . . 0.0 106.998 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . 0.442 ' CE2' ' HB3' ' C' ' 94' ' ' TYR . 4.9 t80 -106.8 124.25 49.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -148.54 156.47 42.48 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -67.83 142.81 56.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.392 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.15 98.3 2.79 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 171.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.06 -31.92 91.34 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 N-CA-C 117.717 2.16 . . . . 0.0 117.717 -167.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -91.05 8.51 35.08 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.968 -1.493 . . . . 0.0 112.217 -164.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.08 119.73 72.79 Favored Pre-proline 0 CA--C 1.514 -0.413 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -57.0 -19.86 34.36 Favored 'Trans proline' 0 C--N 1.347 0.484 0 O-C-N 122.929 0.963 . . . . 0.0 114.43 -173.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.51 -34.66 78.78 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.437 0.562 . . . . 0.0 110.069 177.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.52 13.04 64.94 Favored Glycine 0 CA--C 1.506 -0.491 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.546 -172.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -120.97 17.1 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.296 1.962 . . . . 0.0 116.296 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 73.3 t -96.98 133.39 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . 0.442 ' HB3' ' CE2' ' C' ' 82' ' ' PHE . 32.4 m-85 -125.02 151.74 45.19 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.479 1.737 . . . . 0.0 110.449 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -126.99 135.37 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.44 108.18 20.38 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 169.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -109.31 125.12 51.98 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -171.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.704 ' CD1' ' O ' ' C' ' 100' ' ' ALA . 9.1 t80 -84.71 115.64 22.8 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.141 0.9 . . . . 0.0 109.276 176.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.36 -25.17 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.371 -169.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.704 ' O ' ' CD1' ' C' ' 98' ' ' PHE . . . -111.32 115.15 28.83 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.91 172.33 27.7 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 -172.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.32 8.98 33.4 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.058 -0.672 . . . . 0.0 110.497 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.69 129.21 38.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.897 -1.521 . . . . 0.0 110.593 -165.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.02 141.81 46.25 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.919 175.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.53 126.16 45.38 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 171.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -100.87 143.63 30.79 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 124.701 1.251 . . . . 0.0 110.259 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . 0.435 ' CZ ' ' CH2' ' C' ' 61' ' ' TRP . 9.1 m-85 -137.0 156.71 48.09 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.314 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.54 126.56 35.2 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.387 175.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.66 137.74 58.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.224 -174.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -118.83 3.96 11.55 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.574 -1.193 . . . . 0.0 110.268 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.25 135.86 93.78 Favored Pre-proline 0 C--O 1.266 1.947 0 CA-C-O 123.163 1.458 . . . . 0.0 108.622 172.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.29 -41.37 42.48 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.61 -1.127 . . . . 0.0 112.419 -174.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -96.03 146.92 24.23 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.159 0.504 . . . . 0.0 110.501 173.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.5 m -83.42 -9.36 59.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.136 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.5 -33.83 55.82 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.483 0.713 . . . . 0.0 112.799 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -103.18 5.79 37.95 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -56.8 -48.87 76.96 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.309 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -32.3 70.76 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.582 -173.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -44.13 80.28 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.901 0.381 . . . . 0.0 110.881 175.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -55.64 -45.78 77.57 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.02 -1.05 . . . . 0.0 112.288 173.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.67 -43.07 98.09 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.619 0.723 . . . . 0.0 110.291 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.89 -43.46 98.81 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.096 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -64.33 -42.27 96.37 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 3.6 t -52.23 -51.9 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.452 175.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 30.7 t30 -60.34 -39.54 87.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -65.25 -46.1 81.91 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.381 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -78.92 -24.56 43.97 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.537 -0.865 . . . . 0.0 112.386 -174.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.502 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.05 -36.07 41.58 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.769 -0.773 . . . . 0.0 112.284 174.559 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . 0.502 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 56.5 t30 -110.77 -11.04 14.43 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -168.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -141.2 71.79 27.3 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 169.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.89 171.8 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.578 1.518 . . . . 0.0 111.589 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo . . . . . 0 C--N 1.29 -2.514 0 C-N-CA 122.469 2.112 . . . . 0.0 111.641 179.749 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 mmm . . . . . 0 CA--C 1.549 0.939 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.19 138.15 31.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 126.834 2.584 . . . . 0.0 108.912 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pt -131.21 163.01 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 173.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.98 140.23 49.47 Favored 'General case' 0 N--CA 1.513 2.693 1 O-C-N 130.459 4.849 . . . . 0.0 108.748 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.09 114.22 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.583 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 127.51 41.27 Favored 'General case' 0 N--CA 1.506 2.345 1 O-C-N 129.322 4.139 . . . . 0.0 107.968 -178.141 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.3 p -99.56 170.83 8.32 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.352 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -6.92 49.42 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 124.132 0.895 . . . . 0.0 112.647 -177.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.48 14.88 30.6 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 115.773 -2.371 . . . . 0.0 111.995 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.8 80.09 Favored Glycine 0 C--N 1.297 -1.607 0 O-C-N 120.262 -1.524 . . . . 0.0 116.071 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.55 138.08 34.67 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 175.027 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.8 p -119.98 131.68 55.25 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 126.543 2.402 . . . . 0.0 105.986 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mm -109.56 141.93 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 127.626 3.079 . . . . 0.0 108.871 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 t -101.36 139.71 36.65 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.104 -1.839 . . . . 0.0 108.199 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.39 154.12 44.03 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 115.332 -2.271 . . . . 0.0 108.323 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -111.95 121.04 43.91 Favored 'General case' 0 N--CA 1.499 1.982 1 O-C-N 129.339 4.15 . . . . 0.0 103.672 173.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -139.0 170.65 15.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.38 0 O-C-N 127.493 2.996 . . . . 0.0 111.152 -177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -119.98 144.59 37.85 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 112.309 -2.223 . . . . 0.0 106.309 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -24.4 40.12 Favored 'Trans proline' 0 C--N 1.321 -0.897 0 C-N-CA 122.489 2.126 . . . . 0.0 111.942 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -8.11 59.15 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.924 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.04 148.5 47.5 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 117.402 -1.719 . . . . 0.0 109.802 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.74 160.49 21.26 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 175.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 1.252 HG21 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.48 -37.05 76.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 O-C-N 127.184 2.803 . . . . 0.0 110.291 175.796 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -40.08 78.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.288 -0.883 . . . . 0.0 110.824 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.35 -41.85 80.07 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 121.86 -0.525 . . . . 0.0 110.982 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.2 t -58.24 -46.43 88.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 124.462 1.101 . . . . 0.0 109.15 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -60.81 -38.08 84.16 Favored 'General case' 0 C--O 1.259 1.553 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.689 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.0 87.16 Favored 'General case' 0 C--O 1.277 2.53 0 CA-C-N 118.129 0.422 . . . . 0.0 111.183 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -37.59 87.99 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-O 123.088 1.423 . . . . 0.0 110.669 176.036 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.03 -39.48 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -48.72 78.74 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 125.551 2.596 . . . . 0.0 109.081 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.18 -41.69 65.48 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 113.405 -1.725 . . . . 0.0 111.989 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.319 19.2 tttm -93.61 -24.31 17.97 Favored 'General case' 0 C--O 1.28 2.708 0 N-CA-C 117.188 2.292 . . . . 0.0 117.188 -175.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.34 -6.58 8.21 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 123.064 2.666 . . . . 0.0 114.194 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.65 89.97 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.882 2.313 . . . . 0.0 118.882 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.412 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 27.2 mm -79.73 124.81 83.33 Favored Pre-proline 0 C--O 1.244 0.793 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.978 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.2 Cg_exo -57.02 136.78 78.71 Favored 'Trans proline' 0 C--O 1.258 1.495 0 C-N-CA 123.369 2.713 . . . . 0.0 110.779 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -57.08 -32.05 92.12 Favored 'Trans proline' 0 C--O 1.262 1.702 0 O-C-N 123.05 1.026 . . . . 0.0 113.568 -179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.47 -15.28 63.49 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.9 -1.75 . . . . 0.0 112.163 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.0 -10.3 28.92 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.615 -1.303 . . . . 0.0 112.001 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -84.85 129.47 34.81 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 124.398 2.047 . . . . 0.0 115.777 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.92 116.08 24.45 Favored 'General case' 0 C--O 1.299 3.659 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 171.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mp -103.48 130.24 50.8 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 119.506 1.048 . . . . 0.0 109.974 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.1 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 125.145 1.528 . . . . 0.0 111.868 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -144.39 129.47 18.58 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.19 19.69 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.324 -2.216 . . . . 0.0 110.675 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.408 ' HA2' ' OD2' ' C' ' 79' ' ' ASP . . . 61.59 21.82 60.88 Favored Glycine 0 N--CA 1.431 -1.662 0 C-N-CA 128.608 3.004 . . . . 0.0 117.497 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -115.14 142.81 46.14 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.9 130.36 34.57 Favored 'General case' 0 C--O 1.257 1.497 0 N-CA-C 103.73 -2.693 . . . . 0.0 103.73 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 tp -79.6 138.15 37.35 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.153 -175.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 1.252 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -101.81 140.15 36.49 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 125.042 1.464 . . . . 0.0 109.977 -177.753 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.709 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . 72.8 m-20 -47.98 -42.59 28.19 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 120.72 3.6 . . . . 0.0 120.72 -175.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.56 -8.85 85.57 Favored Glycine 0 CA--C 1.489 -1.561 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 23' ' ' ILE . 6.4 mmm-85 -85.36 165.44 17.25 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 119.792 -2.004 . . . . 0.0 108.0 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 0.6 OUTLIER -104.64 164.83 11.48 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 177.035 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.56 -36.1 79.67 Favored 'General case' 0 C--O 1.203 -1.349 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -29.43 70.55 Favored 'General case' 0 C--O 1.269 2.086 0 C-N-CA 117.313 -1.755 . . . . 0.0 112.157 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -39.7 70.7 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 122.448 1.118 . . . . 0.0 110.694 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -90.73 4.69 50.84 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.032 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.12 45.14 18.11 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 121.589 1.995 . . . . 0.0 111.182 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -88.68 116.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.266 1.954 0 CA-C-O 115.227 -2.321 . . . . 0.0 106.282 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.49 169.74 8.35 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 125.999 2.062 . . . . 0.0 109.37 -176.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.01 142.88 28.42 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 123.239 1.495 . . . . 0.0 109.096 -176.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 67.14 19.16 10.44 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 117.916 2.561 . . . . 0.0 117.916 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -71.18 159.51 34.52 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.16 126.72 52.27 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-O 118.173 -0.918 . . . . 0.0 108.805 175.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mt -103.07 154.52 19.18 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 114.839 -2.505 . . . . 0.0 105.657 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -105.63 135.75 46.48 Favored 'General case' 0 C--N 1.288 -2.067 0 O-C-N 127.352 2.907 . . . . 0.0 105.826 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -106.96 115.78 30.78 Favored 'General case' 0 C--O 1.285 2.966 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.405 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.01 139.84 28.65 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.921 0 N-CA-C 103.612 -2.736 . . . . 0.0 103.612 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.0 138.9 32.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.291 0.567 . . . . 0.0 109.898 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 56.88 -151.21 0.42 Allowed 'General case' 0 C--N 1.278 -2.516 0 CA-C-O 113.176 -3.297 . . . . 0.0 105.531 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.05 -54.69 1.71 Allowed 'General case' 0 C--N 1.29 -1.979 0 O-C-N 125.892 1.995 . . . . 0.0 109.637 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.04 166.93 10.96 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 113.589 -1.641 . . . . 0.0 108.926 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.41 -175.99 53.61 Favored Glycine 0 C--O 1.245 0.803 0 CA-C-N 114.639 -1.164 . . . . 0.0 115.126 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.506 0 N-CA-C 108.267 -1.933 . . . . 0.0 108.267 179.412 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.92 138.48 31.57 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 127.066 2.729 . . . . 0.0 108.776 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.16 163.02 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 CA-C-O 115.734 -2.079 . . . . 0.0 105.985 173.122 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -115.85 140.17 49.49 Favored 'General case' 0 N--CA 1.514 2.766 1 O-C-N 130.644 4.965 . . . . 0.0 108.615 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.99 114.05 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 113.446 -3.168 . . . . 0.0 105.786 175.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.05 127.61 41.24 Favored 'General case' 0 N--CA 1.503 2.192 1 O-C-N 129.184 4.053 . . . . 0.0 108.153 -178.134 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 9.8 t -99.63 170.86 8.28 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.313 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.32 -7.08 50.06 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 124.122 0.889 . . . . 0.0 112.839 -178.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.13 14.81 30.78 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 115.63 -2.428 . . . . 0.0 112.033 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.65 80.15 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.241 -1.537 . . . . 0.0 116.114 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.16 137.82 34.67 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 174.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 70.0 p -119.93 131.87 55.34 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 126.452 2.345 . . . . 0.0 106.154 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.43 141.81 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 127.721 3.138 . . . . 0.0 109.121 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.3 m -101.23 139.83 36.36 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 117.014 -1.874 . . . . 0.0 108.371 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.52 154.1 44.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.512 -2.185 . . . . 0.0 108.351 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.82 121.16 44.29 Favored 'General case' 0 N--CA 1.496 1.846 1 O-C-N 129.259 4.1 . . . . 0.0 103.575 174.07 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.09 170.6 15.84 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 O-C-N 127.761 3.163 . . . . 0.0 111.171 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -120.07 144.68 38.22 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 112.139 -2.3 . . . . 0.0 106.298 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -54.87 -24.91 40.92 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 C-N-CA 122.696 2.264 . . . . 0.0 111.49 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.6 t -79.77 -8.17 59.09 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.892 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.06 148.53 47.44 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 117.247 -1.781 . . . . 0.0 109.782 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.487 ' O ' HG11 ' B' ' 26' ' ' VAL . 2.5 p -83.89 160.58 21.09 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.592 ' O ' HG21 ' B' ' 26' ' ' VAL . 1.5 mp -61.4 -36.8 75.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 126.964 2.665 . . . . 0.0 110.423 175.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -42.85 77.87 Favored 'General case' 0 C--O 1.252 1.197 0 O-C-N 120.463 -1.398 . . . . 0.0 111.0 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -44.56 90.91 Favored 'General case' 0 C--O 1.251 1.14 0 C-N-CA 124.172 0.989 . . . . 0.0 111.455 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.592 HG21 ' O ' ' B' ' 23' ' ' ILE . 0.9 OUTLIER -58.6 -46.28 90.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.877 1.36 . . . . 0.0 109.004 178.93 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 22.3 mttm -60.71 -37.91 83.29 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.934 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.37 -38.02 86.63 Favored 'General case' 0 C--O 1.279 2.655 0 O-C-N 123.367 0.417 . . . . 0.0 111.307 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -64.06 -37.38 87.21 Favored 'General case' 0 C--O 1.253 1.289 0 O-C-N 120.39 -1.444 . . . . 0.0 110.833 175.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -39.74 78.3 Favored 'Isoleucine or valine' 0 C--O 1.253 1.273 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -48.91 78.3 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 125.538 2.589 . . . . 0.0 108.991 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.3 -41.83 66.03 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.882 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.8 OUTLIER -93.34 -24.33 18.15 Favored 'General case' 0 C--O 1.28 2.674 0 N-CA-C 117.272 2.323 . . . . 0.0 117.272 -175.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -123.64 -6.29 8.06 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 122.926 2.603 . . . . 0.0 113.851 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.81 5.67 89.9 Favored Glycine 0 CA--C 1.476 -2.379 0 N-CA-C 118.814 2.286 . . . . 0.0 118.814 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 13.3 mt -79.84 125.02 83.0 Favored Pre-proline 0 C--O 1.242 0.708 0 C-N-CA 118.698 -1.201 . . . . 0.0 111.102 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_exo -57.07 137.0 79.98 Favored 'Trans proline' 0 C--O 1.256 1.399 0 C-N-CA 122.921 2.414 . . . . 0.0 110.908 178.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -57.31 -32.15 92.96 Favored 'Trans proline' 0 C--O 1.262 1.688 0 O-C-N 123.136 1.072 . . . . 0.0 113.32 -179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -68.29 -15.56 63.61 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 119.926 -1.734 . . . . 0.0 112.328 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.42 ' HB3' ' CD2' ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.53 -10.57 29.29 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.538 -1.351 . . . . 0.0 112.207 178.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -84.92 129.65 34.77 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 124.289 1.995 . . . . 0.0 115.711 -177.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -121.21 116.04 24.17 Favored 'General case' 0 C--O 1.298 3.655 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 tp -103.48 130.33 50.83 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.459 1.027 . . . . 0.0 110.054 -177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.6 mt -122.07 131.61 72.78 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 125.194 1.559 . . . . 0.0 111.941 -177.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -144.3 129.77 18.97 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.29 45.84 20.18 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 112.001 -2.363 . . . . 0.0 110.712 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.92 20.22 59.73 Favored Glycine 0 C--N 1.299 -1.526 0 C-N-CA 128.256 2.836 . . . . 0.0 117.316 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -109.86 143.82 39.21 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 115.407 -2.235 . . . . 0.0 110.945 174.189 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.578 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.4 OUTLIER -87.22 130.34 34.6 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 103.995 -2.594 . . . . 0.0 103.995 173.338 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.63 138.48 37.42 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.086 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -101.93 140.03 36.77 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 125.203 1.564 . . . . 0.0 109.951 -177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -48.31 -42.08 30.03 Favored 'General case' 0 C--O 1.263 1.798 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.27 -8.45 85.28 Favored Glycine 0 CA--C 1.493 -1.332 0 N-CA-C 116.0 1.16 . . . . 0.0 116.0 -177.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.63 165.29 17.14 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.126 -1.808 . . . . 0.0 108.034 176.337 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 11.9 t -104.35 164.49 11.7 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.04 -36.44 79.57 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -29.66 70.87 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.27 -1.772 . . . . 0.0 112.323 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -39.15 70.61 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 122.553 1.168 . . . . 0.0 110.761 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -91.04 4.56 51.78 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 117.521 -1.228 . . . . 0.0 112.883 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.86 45.35 18.58 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 121.703 2.047 . . . . 0.0 111.364 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -88.76 116.21 30.01 Favored 'Isoleucine or valine' 0 C--O 1.272 2.243 0 CA-C-O 115.065 -2.397 . . . . 0.0 106.359 175.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.29 169.52 8.5 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 126.072 2.107 . . . . 0.0 109.765 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 142.99 26.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 123.109 1.433 . . . . 0.0 109.234 -176.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 66.92 19.09 10.65 Favored 'General case' 0 C--O 1.257 1.48 0 N-CA-C 117.867 2.543 . . . . 0.0 117.867 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.17 159.57 34.44 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.98 126.62 52.16 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 118.159 -0.924 . . . . 0.0 108.793 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.16 154.56 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.723 -2.56 . . . . 0.0 105.701 175.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -105.62 135.84 46.3 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 127.57 3.044 . . . . 0.0 105.646 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.1 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.85 0 CA-C-O 117.65 -1.166 . . . . 0.0 111.39 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 88.7 t -108.18 139.92 28.61 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 103.452 -2.795 . . . . 0.0 103.452 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.476 ' C ' ' CD2' ' B' ' 71' ' ' LEU . 2.5 tt -96.06 -83.39 0.37 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.081 0.467 . . . . 0.0 109.943 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.503 ' CB ' ' HA2' ' C' ' 101' ' ' GLY . 0.0 OUTLIER 52.6 88.31 0.03 OUTLIER 'General case' 0 C--N 1.277 -2.55 0 CA-C-O 113.366 -3.207 . . . . 0.0 105.431 -178.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.15 152.21 29.35 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 125.762 1.914 . . . . 0.0 109.639 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? 56.59 -179.4 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 113.782 -1.554 . . . . 0.0 108.712 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.58 141.1 12.7 Favored Glycine 0 C--O 1.246 0.862 0 CA-C-N 114.834 -1.075 . . . . 0.0 115.09 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.527 0 CA-C-O 116.49 -2.283 . . . . 0.0 108.261 178.915 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 CA--C 1.511 -0.521 0 CA-C-O 121.843 0.83 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -80.81 158.94 25.25 Favored 'General case' 0 C--N 1.289 -2.043 0 O-C-N 119.162 -2.211 . . . . 0.0 110.951 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.66 132.09 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.879 2.072 . . . . 0.0 110.687 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -89.01 137.87 31.92 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.591 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 mt -70.2 -39.57 75.09 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.699 0.761 . . . . 0.0 111.881 172.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -144.34 136.04 21.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 125.283 1.433 . . . . 0.0 107.484 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.33 148.05 34.27 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 118.931 0.787 . . . . 0.0 110.638 165.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -161.01 155.15 22.8 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.271 0.982 . . . . 0.0 111.21 173.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -72.18 127.84 33.8 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.32 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.19 147.69 6.72 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.077 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.83 25.12 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 108.279 -1.928 . . . . 0.0 108.279 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.11 -179.19 3.78 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' MET . . . . . 0.721 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.2 mpt? -137.15 161.06 37.19 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 174.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 45.2 m -136.68 156.52 48.42 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.101 -1.439 . . . . 0.0 108.755 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.76 116.15 28.76 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.35 115.84 29.38 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.09 8.67 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.61 18.46 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.348 -0.426 . . . . 0.0 110.018 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.8 m -112.01 122.49 47.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -172.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 47.4 t -76.11 120.05 25.35 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.14 119.34 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.207 -173.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . 0.721 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 32.3 Cg_exo -59.85 134.8 59.3 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.892 -0.939 . . . . 0.0 111.873 173.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -85.71 132.18 34.19 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 172.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.19 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -172.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.1 144.45 56.09 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -173.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -68.1 125.52 26.63 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 171.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.39 171.28 21.58 Favored Glycine 0 C--N 1.318 -0.462 0 CA-C-O 123.223 1.457 . . . . 0.0 115.35 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -128.39 124.39 36.22 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 m -90.92 137.54 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 164.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -151.95 157.78 42.23 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.056 0.932 . . . . 0.0 112.944 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 10.3 mt -118.82 131.04 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.305 174.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -133.99 137.65 44.92 Favored 'General case' 0 CA--C 1.493 -1.23 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.24 122.16 42.61 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 170.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.5 p -84.11 171.08 13.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.267 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -71.53 -10.42 59.74 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.638 -0.825 . . . . 0.0 113.195 -170.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 3.6 m 73.87 -1.35 3.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.386 1.474 . . . . 0.0 114.717 -177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.94 149.82 39.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 119.21 -0.996 . . . . 0.0 113.112 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.1 129.14 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.223 -177.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.65 125.33 50.55 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -176.478 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -98.79 119.05 36.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 26.6 m -127.72 156.78 41.86 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -171.193 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -130.43 128.26 40.95 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.615 -1.63 . . . . 0.0 108.734 169.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -120.66 134.3 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.027 -1.442 . . . . 0.0 109.745 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.22 115.33 13.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 173.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -64.0 -32.43 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 40.9 p -72.51 -46.14 56.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -175.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 10.4 t -91.43 -20.57 21.64 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.52 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 2.61 60.87 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 119.755 -0.469 . . . . 0.0 113.771 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.46 129.97 39.57 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.645 1.222 . . . . 0.0 113.129 178.616 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.18 109.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -94.54 -28.82 15.22 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.946 -171.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.99 135.53 54.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.837 0.827 . . . . 0.0 109.407 177.623 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.97 103.4 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.08 123.17 44.97 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.276 -174.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -75.73 124.29 33.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 122.336 1.065 . . . . 0.0 111.695 168.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -123.03 130.36 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.43 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.613 -174.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.26 158.94 30.84 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.317 1.01 . . . . 0.0 110.885 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -54.33 133.92 58.41 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.864 2.376 . . . . 0.0 111.31 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.81 5.89 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . 0.498 ' C ' ' SG ' ' C' ' 80' ' ' CYS . 24.1 t0 -70.39 -33.57 71.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.986 0.812 . . . . 0.0 109.623 176.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . 0.498 ' SG ' ' C ' ' C' ' 79' ' ' ASP . 0.0 OUTLIER -154.91 168.14 27.96 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 118.431 -1.308 . . . . 0.0 113.665 -173.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -133.36 139.36 46.77 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 113.478 -1.692 . . . . 0.0 107.008 -178.146 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -106.75 124.16 49.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -148.54 156.44 42.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -67.75 142.86 56.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.438 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 72.4 t -94.29 98.37 2.9 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -61.0 -31.96 91.83 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 N-CA-C 117.788 2.188 . . . . 0.0 117.788 -167.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.12 8.63 34.66 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.198 -164.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 4.6 t -85.06 119.62 72.7 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -56.96 -19.87 34.16 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.369 -173.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.7 m -65.57 -34.58 78.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.457 0.571 . . . . 0.0 110.06 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.48 12.97 64.73 Favored Glycine 0 CA--C 1.505 -0.568 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.516 -172.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -120.98 17.1 11.73 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 93.5 t -97.06 133.48 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -125.07 151.78 45.21 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.46 1.725 . . . . 0.0 110.437 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.02 135.39 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 32.1 tp -95.48 108.16 20.36 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -109.27 125.16 52.0 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -171.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' C' ' 98' ' ' PHE . 8.9 m-30 -84.79 115.6 22.81 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.058 0.849 . . . . 0.0 109.202 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . 0.578 ' HA ' ' HB2' ' B' ' 49' ' ' GLN . 4.9 mtmt -63.36 -25.25 68.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.371 -169.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.19 115.2 28.98 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . 0.503 ' HA2' ' CB ' ' B' ' 72' ' ' ARG . . . 101.89 172.43 27.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -172.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 41.2 t -91.43 9.0 33.6 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.054 -0.674 . . . . 0.0 110.525 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.66 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.72 46.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.967 175.781 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -124.44 126.14 45.43 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . 0.42 ' CB ' ' SD ' ' C' ' 31' ' ' MET . 39.3 m-85 -100.8 143.66 30.69 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 124.771 1.294 . . . . 0.0 110.302 -177.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -137.14 156.65 48.1 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.263 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -131.42 126.53 35.35 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.408 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.6 137.75 58.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.312 -174.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.85 3.93 11.54 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.274 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 135.94 93.86 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.188 1.47 . . . . 0.0 108.623 172.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.27 -41.4 42.44 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.611 -1.126 . . . . 0.0 112.377 -174.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -96.08 146.93 24.23 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.159 0.504 . . . . 0.0 110.487 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 14.8 t -83.43 -9.3 59.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.154 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.57 -33.79 56.02 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 123.389 0.676 . . . . 0.0 112.79 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -103.27 5.92 37.78 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -174.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -56.94 -48.81 77.43 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.256 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -69.83 -32.24 70.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.56 -173.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -67.27 -44.06 80.3 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.904 0.383 . . . . 0.0 110.96 175.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -55.54 -45.85 77.18 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.02 -1.05 . . . . 0.0 112.326 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 7.1 t -60.73 -43.03 98.39 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.65 0.738 . . . . 0.0 110.232 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -43.53 98.65 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.115 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -64.21 -42.29 96.67 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 82.9 t -52.27 -51.85 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.478 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -60.41 -39.51 87.63 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -65.29 -46.05 81.96 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.446 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -79.0 -24.43 43.73 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 119.435 -0.906 . . . . 0.0 112.39 -174.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 2.0 mp -79.11 -36.03 41.31 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.731 -0.788 . . . . 0.0 112.274 174.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.76 -11.06 14.43 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -168.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -141.16 71.82 27.5 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 169.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -44.61 163.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.342 0 C-N-CA 121.639 1.559 . . . . 0.0 111.642 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 C--N 1.29 -2.513 0 C-N-CA 122.471 2.114 . . . . 0.0 111.534 -179.719 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mmm . . . . . 0 CA--C 1.549 0.928 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -91.07 138.18 31.8 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 126.908 2.63 . . . . 0.0 108.86 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 pt -131.25 163.06 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 1.092 ' CE1' ' HB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -116.0 140.23 49.47 Favored 'General case' 0 N--CA 1.512 2.67 1 O-C-N 130.497 4.873 . . . . 0.0 108.784 179.618 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.715 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -118.02 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.624 175.738 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.794 ' CB ' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -95.23 127.52 41.34 Favored 'General case' 0 N--CA 1.506 2.368 1 O-C-N 129.334 4.146 . . . . 0.0 107.951 -178.169 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.7 t -99.56 170.78 8.36 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.34 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.9 mt -73.33 -7.07 50.03 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.129 0.893 . . . . 0.0 112.662 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.51 15.12 29.89 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 115.715 -2.394 . . . . 0.0 112.006 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.67 80.23 Favored Glycine 0 C--N 1.297 -1.638 0 O-C-N 120.247 -1.533 . . . . 0.0 116.135 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.45 138.08 34.57 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 175.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 1.092 ' HB ' ' CE1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -119.9 131.6 55.28 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 126.696 2.497 . . . . 0.0 105.929 176.412 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.52 141.97 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 127.61 3.069 . . . . 0.0 108.898 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.44 139.71 36.73 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.163 -1.815 . . . . 0.0 108.189 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.47 154.05 44.25 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.291 -179.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -111.83 121.08 44.09 Favored 'General case' 0 N--CA 1.5 2.053 1 O-C-N 129.261 4.1 . . . . 0.0 103.638 173.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.97 170.61 15.96 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 O-C-N 127.663 3.102 . . . . 0.0 111.161 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 1.6 mp0 -119.96 144.54 37.71 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.334 -2.212 . . . . 0.0 106.322 174.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.411 ' O ' ' OG1' ' A' ' 55' ' ' THR . 63.5 Cg_exo -55.03 -24.31 39.41 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 122.513 2.142 . . . . 0.0 111.952 177.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.6 p -80.06 -8.07 59.19 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.868 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.05 148.37 47.61 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 117.471 -1.692 . . . . 0.0 109.774 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -83.74 160.56 21.24 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.753 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.55 -37.06 76.97 Favored 'Isoleucine or valine' 0 C--O 1.245 0.855 0 O-C-N 127.161 2.788 . . . . 0.0 110.209 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -40.26 78.22 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.368 -0.833 . . . . 0.0 110.736 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.26 -41.95 80.34 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 121.948 -0.47 . . . . 0.0 110.958 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.14 -46.37 88.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -60.91 -37.92 83.95 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.671 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.03 87.05 Favored 'General case' 0 C--O 1.277 2.516 0 CA-C-N 118.176 0.443 . . . . 0.0 111.184 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -37.57 87.91 Favored 'General case' 0 C--O 1.255 1.345 0 CA-C-O 123.063 1.411 . . . . 0.0 110.685 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 mt -69.9 -39.54 77.73 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -48.68 78.94 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 125.553 2.597 . . . . 0.0 109.137 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -41.72 66.21 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 113.383 -1.735 . . . . 0.0 111.857 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -93.52 -24.33 18.02 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.253 2.316 . . . . 0.0 117.253 -175.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -123.37 -6.42 8.21 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.041 2.655 . . . . 0.0 114.259 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.59 90.01 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.908 2.323 . . . . 0.0 118.908 176.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.6 mt -79.82 124.79 83.19 Favored Pre-proline 0 C--O 1.244 0.808 0 C-N-CA 118.791 -1.163 . . . . 0.0 110.916 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -57.02 136.9 79.44 Favored 'Trans proline' 0 C--O 1.258 1.495 0 C-N-CA 123.311 2.674 . . . . 0.0 110.737 178.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.15 -31.99 92.11 Favored 'Trans proline' 0 C--O 1.261 1.648 0 O-C-N 123.0 1.0 . . . . 0.0 113.666 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.51 -15.31 63.5 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 119.904 -1.747 . . . . 0.0 112.228 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -95.96 -10.18 29.29 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.704 -1.248 . . . . 0.0 112.079 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -84.96 129.65 34.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 124.454 2.073 . . . . 0.0 115.673 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.03 116.03 24.27 Favored 'General case' 0 C--O 1.3 3.755 0 N-CA-C 104.976 -2.231 . . . . 0.0 104.976 171.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.51 130.14 50.83 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 119.61 1.096 . . . . 0.0 109.96 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -121.93 131.77 72.39 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 125.068 1.48 . . . . 0.0 112.011 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -144.31 129.58 18.77 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 46.12 19.74 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.202 -2.272 . . . . 0.0 110.785 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.57 21.73 60.74 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.56 2.981 . . . . 0.0 117.583 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -115.13 142.75 46.23 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -85.8 130.34 34.58 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 103.798 -2.667 . . . . 0.0 103.798 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.62 138.08 37.31 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.151 -175.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -101.66 140.1 36.41 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 125.139 1.524 . . . . 0.0 109.969 -177.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.97 -42.5 27.82 Favored 'General case' 0 C--O 1.264 1.855 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.8 85.48 Favored Glycine 0 CA--C 1.49 -1.492 0 N-CA-C 116.139 1.215 . . . . 0.0 116.139 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.8 mtt180 -85.37 165.36 17.3 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 119.786 -2.008 . . . . 0.0 108.078 176.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.8 t -104.57 164.84 11.46 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.67 -35.91 79.33 Favored 'General case' 0 C--O 1.202 -1.395 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.28 -29.39 70.48 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 117.228 -1.789 . . . . 0.0 112.19 -179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -55.5 -39.59 70.64 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 122.412 1.101 . . . . 0.0 110.681 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -90.8 4.71 50.94 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.943 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 58.1 45.22 18.04 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 121.703 2.047 . . . . 0.0 111.173 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mt -88.76 116.55 30.6 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.233 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -103.54 169.75 8.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 126.041 2.088 . . . . 0.0 109.366 -176.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.98 142.94 28.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 123.277 1.513 . . . . 0.0 109.097 -176.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 67.04 19.17 10.55 Favored 'General case' 0 C--O 1.255 1.383 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 179.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -71.12 159.53 34.53 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.4 t -119.23 126.72 52.2 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 118.191 -0.909 . . . . 0.0 108.8 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.09 154.61 19.1 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.707 -2.568 . . . . 0.0 105.715 175.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -105.69 135.62 46.77 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 127.404 2.94 . . . . 0.0 105.887 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tp -106.83 115.75 30.73 Favored 'General case' 0 C--O 1.285 2.953 0 CA-C-O 117.599 -1.191 . . . . 0.0 111.446 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.7 t -108.06 139.92 28.41 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mp -96.14 138.84 33.18 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.256 0.551 . . . . 0.0 109.807 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -55.25 129.5 38.61 Favored 'General case' 0 C--N 1.279 -2.487 0 CA-C-O 113.176 -3.297 . . . . 0.0 105.534 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.26 166.37 12.35 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 125.903 2.002 . . . . 0.0 109.623 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.41 159.7 14.82 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 113.63 -1.623 . . . . 0.0 108.885 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.99 -133.26 0.43 Allowed Glycine 0 C--O 1.247 0.929 0 CA-C-N 114.534 -1.212 . . . . 0.0 115.106 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.514 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 179.382 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mtp . . . . . 0 CA--C 1.548 0.904 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.04 138.46 31.58 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 127.137 2.773 . . . . 0.0 108.774 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.13 163.04 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 CA-C-O 115.833 -2.032 . . . . 0.0 105.828 173.278 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 1.257 ' HD2' ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -115.89 140.21 49.46 Favored 'General case' 0 N--CA 1.515 2.799 1 O-C-N 130.68 4.988 . . . . 0.0 108.65 179.696 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.49 ' N ' ' CD2' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -117.94 113.99 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-O 113.306 -3.235 . . . . 0.0 105.808 175.517 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.828 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.3 OUTLIER -95.08 127.58 41.25 Favored 'General case' 0 N--CA 1.501 2.103 1 O-C-N 129.27 4.106 . . . . 0.0 108.176 -178.073 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 27.9 p -99.5 170.81 8.35 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.281 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -7.06 50.03 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 124.001 0.813 . . . . 0.0 112.858 -178.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.16 14.73 31.02 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 115.63 -2.428 . . . . 0.0 111.972 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.87 79.98 Favored Glycine 0 C--N 1.296 -1.683 0 O-C-N 120.16 -1.588 . . . . 0.0 116.123 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 137.95 34.63 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 174.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.1 p -120.01 132.02 55.33 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 126.425 2.328 . . . . 0.0 106.157 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -109.56 141.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 127.723 3.139 . . . . 0.0 109.049 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.18 139.83 36.32 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 117.027 -1.869 . . . . 0.0 108.382 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -126.48 154.08 44.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 115.607 -2.14 . . . . 0.0 108.314 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -111.82 121.22 44.47 Favored 'General case' 0 N--CA 1.497 1.898 1 O-C-N 129.254 4.096 . . . . 0.0 103.527 174.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.05 170.61 15.87 Favored 'Isoleucine or valine' 0 C--O 1.252 1.23 0 O-C-N 127.867 3.23 . . . . 0.0 111.234 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -120.15 144.66 38.31 Favored Pre-proline 0 C--N 1.314 -0.954 0 CA-C-N 112.054 -2.339 . . . . 0.0 106.244 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -54.81 -24.83 40.06 Favored 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 122.758 2.305 . . . . 0.0 111.502 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.1 t -79.85 -8.27 59.19 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 121.164 -0.96 . . . . 0.0 110.904 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.98 148.54 47.55 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 117.307 -1.757 . . . . 0.0 109.762 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.479 ' O ' HG11 ' B' ' 26' ' ' VAL . 2.7 p -83.89 160.43 21.12 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 175.768 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.584 ' O ' HG22 ' B' ' 26' ' ' VAL . 22.2 mm -61.33 -36.86 75.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 126.929 2.643 . . . . 0.0 110.428 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.754 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.06 -42.94 77.42 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 120.393 -1.442 . . . . 0.0 111.008 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -44.58 90.76 Favored 'General case' 0 C--O 1.25 1.108 0 C-N-CA 124.322 1.049 . . . . 0.0 111.41 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.584 HG22 ' O ' ' B' ' 23' ' ' ILE . 0.9 OUTLIER -58.54 -46.33 89.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.873 1.358 . . . . 0.0 108.971 178.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.407 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 9.9 mtmm -60.75 -37.98 83.64 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-O 118.778 -0.629 . . . . 0.0 110.786 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.88 86.39 Favored 'General case' 0 C--O 1.279 2.628 0 O-C-N 123.483 0.49 . . . . 0.0 111.448 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -63.98 -37.49 87.6 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 120.417 -1.427 . . . . 0.0 110.878 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -39.74 78.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.337 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -62.01 -48.74 78.97 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 125.448 2.547 . . . . 0.0 109.026 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.45 -41.78 66.46 Favored 'General case' 0 C--O 1.258 1.52 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.812 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 0.0 OUTLIER -93.47 -24.29 18.07 Favored 'General case' 0 C--O 1.281 2.727 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -175.793 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.68 -6.33 8.03 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 122.996 2.635 . . . . 0.0 113.791 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.64 90.01 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.726 2.25 . . . . 0.0 118.726 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.429 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 1.6 mt -80.01 125.08 82.55 Favored Pre-proline 0 C--O 1.242 0.71 0 C-N-CA 118.619 -1.232 . . . . 0.0 111.052 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 84.4 Cg_exo -57.09 137.05 80.17 Favored 'Trans proline' 0 C--O 1.255 1.365 0 C-N-CA 122.937 2.425 . . . . 0.0 110.886 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -57.27 -32.16 92.9 Favored 'Trans proline' 0 C--O 1.261 1.644 0 O-C-N 123.086 1.045 . . . . 0.0 113.36 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -15.59 63.63 Favored 'General case' 0 C--O 1.264 1.827 0 O-C-N 119.997 -1.689 . . . . 0.0 112.281 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.639 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 31.6 mm-40 -95.5 -10.59 29.3 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 120.462 -1.399 . . . . 0.0 112.187 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -84.95 129.67 34.76 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.29 1.995 . . . . 0.0 115.686 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.554 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 3.3 mmt180 -121.12 116.19 24.52 Favored 'General case' 0 C--O 1.298 3.654 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 172.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -103.6 130.24 51.0 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 119.481 1.037 . . . . 0.0 109.95 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mp -122.02 131.74 72.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 125.162 1.539 . . . . 0.0 111.963 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.27 129.76 18.99 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 177.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.26 45.85 20.06 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 111.964 -2.38 . . . . 0.0 110.685 177.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 20.27 59.63 Favored Glycine 0 C--N 1.298 -1.553 0 C-N-CA 128.277 2.846 . . . . 0.0 117.316 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -109.88 143.83 39.23 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 115.317 -2.277 . . . . 0.0 110.986 174.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -87.19 130.3 34.6 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 103.996 -2.594 . . . . 0.0 103.996 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 61.5 mt -79.52 138.31 37.48 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 117.631 -1.176 . . . . 0.0 110.128 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.81 139.96 36.74 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 125.172 1.545 . . . . 0.0 109.976 -177.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.754 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER -48.24 -42.12 29.5 Favored 'General case' 0 C--O 1.263 1.778 0 N-CA-C 120.772 3.619 . . . . 0.0 120.772 -175.792 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.07 -8.68 85.28 Favored Glycine 0 N--CA 1.476 1.358 0 N-CA-C 115.927 1.131 . . . . 0.0 115.927 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -85.63 165.33 17.1 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 120.159 -1.789 . . . . 0.0 107.991 176.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.2 p -104.3 164.4 11.75 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.97 -36.37 79.22 Favored 'General case' 0 C--O 1.2 -1.506 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -29.73 70.91 Favored 'General case' 0 C--O 1.267 1.982 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.208 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.66 -39.03 70.36 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 122.533 1.159 . . . . 0.0 110.793 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -91.06 4.42 52.18 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 117.576 -1.202 . . . . 0.0 112.885 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.9 45.45 18.3 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 121.726 2.057 . . . . 0.0 111.284 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.83 116.14 29.93 Favored 'Isoleucine or valine' 0 C--O 1.269 2.109 0 CA-C-O 115.094 -2.384 . . . . 0.0 106.284 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 169.58 8.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 126.113 2.133 . . . . 0.0 109.752 -176.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.85 142.92 27.46 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 123.081 1.42 . . . . 0.0 109.273 -176.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 67.03 19.04 10.57 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.886 2.55 . . . . 0.0 117.886 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 96.3 p -71.09 159.54 34.53 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 174.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.659 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 0.6 OUTLIER -118.96 126.62 52.17 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 118.218 -0.896 . . . . 0.0 108.874 175.829 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 23.1 mt -103.11 154.54 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.674 -2.584 . . . . 0.0 105.751 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.283 -2.324 0 O-C-N 127.514 3.009 . . . . 0.0 105.707 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.05 115.85 30.91 Favored 'General case' 0 C--O 1.283 2.844 0 CA-C-O 117.671 -1.157 . . . . 0.0 111.417 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 1.1 m -108.17 139.9 28.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 103.375 -2.824 . . . . 0.0 103.375 175.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.639 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.04 -83.49 0.37 Allowed 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.098 0.475 . . . . 0.0 109.836 178.334 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.452 ' N ' HD13 ' B' ' 71' ' ' LEU . 1.8 tpm_? 59.25 93.1 0.04 OUTLIER 'General case' 0 C--N 1.278 -2.537 0 CA-C-O 113.406 -3.188 . . . . 0.0 105.456 179.795 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.54 -82.78 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.828 0 O-C-N 125.69 1.869 . . . . 0.0 109.718 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.6 156.43 47.47 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 113.848 -1.524 . . . . 0.0 108.734 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.38 -148.69 5.3 Favored Glycine 0 C--O 1.246 0.861 0 CA-C-N 114.815 -1.084 . . . . 0.0 115.199 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.553 0 CA-C-O 116.574 -2.236 . . . . 0.0 108.26 179.102 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 121.942 0.877 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -81.67 116.65 21.49 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 119.048 -2.283 . . . . 0.0 111.04 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -138.69 49.54 1.88 Allowed 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 126.728 2.011 . . . . 0.0 110.624 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -88.99 137.85 31.94 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.56 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 mt -70.17 -39.64 75.19 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.682 0.753 . . . . 0.0 111.874 172.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -144.29 136.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.233 1.413 . . . . 0.0 107.464 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.38 148.15 34.31 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.524 165.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -161.08 155.15 22.66 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.261 0.976 . . . . 0.0 111.21 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -72.21 127.8 33.69 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.331 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.17 147.7 6.75 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.08 179.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.96 164.88 25.19 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 175.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -109.18 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' MET . . . . . 0.581 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.08 161.07 37.11 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 174.633 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' SER . . . . . 0.581 ' N ' ' HG2' ' C' ' 31' ' ' MET . 0.1 OUTLIER -136.7 156.58 48.33 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 118.085 -1.446 . . . . 0.0 108.72 177.347 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -92.79 116.19 28.8 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 173.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.32 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.324 -1.911 . . . . 0.0 108.324 -169.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.56 18.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.352 -0.424 . . . . 0.0 109.98 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -112.02 122.53 48.02 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 27.5 m -76.16 120.04 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 174.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' C' ' 32' ' ' SER . 0.8 OUTLIER -124.13 119.47 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -173.376 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.07 134.94 59.33 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 117.882 -0.945 . . . . 0.0 111.845 173.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.78 132.14 34.18 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.12 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -67.09 144.39 56.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -173.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -68.15 125.6 26.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.31 171.17 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.376 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mt -128.4 124.4 36.21 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 175.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -90.96 137.56 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.147 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 164.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . 0.424 ' CE2' ' SG ' ' C' ' 60' ' ' CYS . 6.0 p90 -151.91 157.83 42.35 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.993 0.901 . . . . 0.0 113.024 175.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 1.2 mt -118.85 131.06 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 113.559 -1.655 . . . . 0.0 108.309 174.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . 0.909 ' H ' ' HD1' ' C' ' 58' ' ' HIS . 0.3 OUTLIER -134.0 137.64 44.88 Favored 'General case' 0 CA--C 1.494 -1.193 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.422 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -100.23 122.05 42.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 170.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.03 171.14 13.21 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.259 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 p-10 -71.64 -10.42 59.74 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.661 -0.816 . . . . 0.0 113.156 -170.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.64 7.43 14.76 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.23 -0.188 . . . . 0.0 110.974 170.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t 73.78 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.493 1.517 . . . . 0.0 114.743 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 149.93 39.47 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 119.228 -0.989 . . . . 0.0 113.113 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 3.9 mm -102.21 129.06 54.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.145 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.993 ' O ' ' ND1' ' C' ' 58' ' ' HIS . 0.0 OUTLIER -117.6 125.39 50.7 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -176.501 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.87 118.98 36.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 171.216 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . 0.656 ' HB2' ' CD2' ' C' ' 58' ' ' HIS . 48.7 t -127.7 156.8 41.8 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -171.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . 0.426 ' HZ2' ' CZ ' ' C' ' 107' ' ' PHE . 5.0 m-90 -130.47 128.28 40.94 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.712 169.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -120.68 134.38 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.059 -1.428 . . . . 0.0 109.753 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.25 115.24 13.53 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 173.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.96 -32.38 73.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -176.245 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 5.7 t -72.53 -46.23 55.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -174.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 6.9 t -91.46 -20.46 21.73 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.516 -176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 2.72 60.53 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . 0.418 ' O ' ' CG2' ' C' ' 69' ' ' VAL . 32.1 m -84.19 109.11 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -94.37 -28.98 15.24 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.048 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -121.9 135.66 54.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.847 0.832 . . . . 0.0 109.433 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.06 103.29 2.38 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.08 123.24 45.14 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.242 -174.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 10.1 mm -75.8 124.26 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-O 122.396 1.093 . . . . 0.0 111.776 168.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.96 130.29 74.55 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.632 -174.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -101.23 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.519 1.137 . . . . 0.0 110.883 173.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -54.23 133.87 57.83 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.889 2.393 . . . . 0.0 111.387 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.41 6.95 5.96 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.66 2.096 . . . . 0.0 116.66 -175.67 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -70.44 -33.63 71.53 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.011 0.823 . . . . 0.0 109.558 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 168.19 27.75 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.441 -1.304 . . . . 0.0 113.601 -173.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -133.5 139.25 46.54 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.45 -1.705 . . . . 0.0 107.038 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . 0.416 ' CE2' ' HD2' ' C' ' 107' ' ' PHE . 5.3 t80 -106.7 124.13 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -148.51 156.45 42.47 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -67.73 142.78 56.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.008 -0.997 . . . . 0.0 108.445 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . 0.84 ' CG2' ' O ' ' C' ' 85' ' ' VAL . 1.2 m -94.22 98.3 2.83 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 171.756 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.96 -31.96 91.97 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 N-CA-C 117.816 2.199 . . . . 0.0 117.816 -167.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -91.09 8.63 34.58 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.236 -164.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 30.0 p -85.1 119.7 72.75 Favored Pre-proline 0 CA--C 1.514 -0.413 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.0 -19.83 34.22 Favored 'Trans proline' 0 C--N 1.346 0.443 0 O-C-N 122.978 0.988 . . . . 0.0 114.441 -173.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.56 -34.65 78.74 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.368 0.531 . . . . 0.0 110.047 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.48 13.07 64.88 Favored Glycine 0 CA--C 1.506 -0.473 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.511 -172.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -121.01 17.11 11.7 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . 0.615 ' HB ' ' CG2' ' C' ' 85' ' ' VAL . 96.7 t -97.06 133.44 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 173.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . 0.474 ' CE1' ' HB2' ' C' ' 109' ' ' MET . 2.4 m-85 -125.04 151.73 45.22 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.468 1.73 . . . . 0.0 110.418 178.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.99 135.37 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -95.44 108.07 20.26 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -109.21 125.2 51.98 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -171.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -84.75 115.72 22.86 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.155 0.909 . . . . 0.0 109.17 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -25.19 68.14 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.36 -169.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.21 115.19 28.95 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 173.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . 0.554 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.88 172.47 27.76 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -172.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.42 9.0 33.59 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.074 -0.662 . . . . 0.0 110.51 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -70.67 129.24 38.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.602 -165.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 141.74 46.19 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.936 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 20.9 mt -124.55 126.21 45.46 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . 0.44 ' N ' ' CD2' ' C' ' 106' ' ' PHE . 1.4 m-85 -100.88 143.65 30.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.319 -177.5 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . 0.426 ' CZ ' ' HZ2' ' C' ' 61' ' ' TRP . 1.4 m-85 -137.07 156.67 48.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.258 178.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.47 126.61 35.46 Favored 'General case' 0 N--CA 1.42 -1.937 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.466 174.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 109' ' ' MET . . . . . 0.474 ' HB2' ' CE1' ' C' ' 94' ' ' TYR . 0.1 OUTLIER -62.66 137.8 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.189 -174.631 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -118.87 3.97 11.53 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.268 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.28 135.92 93.85 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.129 1.442 . . . . 0.0 108.623 172.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.37 -41.29 42.44 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.58 -1.147 . . . . 0.0 112.366 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 147.0 24.19 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.498 173.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 75.4 p -83.54 -9.23 59.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.102 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -103.19 5.79 37.92 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 15.8 p-10 -56.97 -48.71 77.73 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.27 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.81 -32.32 70.71 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.522 -173.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.22 -44.06 80.47 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.926 0.393 . . . . 0.0 110.96 175.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -55.57 -45.87 77.26 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.998 -1.064 . . . . 0.0 112.325 173.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 8.6 m -60.6 -43.07 97.85 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.693 0.759 . . . . 0.0 110.297 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -61.9 -43.49 98.74 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.166 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -64.12 -42.47 96.83 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.28 -51.8 29.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.476 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.38 -39.55 87.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -65.27 -45.99 82.29 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.446 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 27.5 m-85 -79.08 -24.37 43.54 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 119.4 -0.92 . . . . 0.0 112.351 -174.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.17 -36.03 40.97 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.192 174.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -110.78 -11.1 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -168.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -141.21 71.78 27.27 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 169.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . 0.568 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 67.1 Cg_exo -51.69 -44.81 42.01 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.625 1.55 . . . . 0.0 111.545 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 71.6 Cg_exo . . . . . 0 C--N 1.29 -2.541 0 C-N-CA 122.425 2.083 . . . . 0.0 111.611 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.06 138.17 31.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 126.834 2.584 . . . . 0.0 108.902 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.2 162.98 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.399 0 N-CA-C 105.601 -1.999 . . . . 0.0 105.601 173.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.93 140.3 49.38 Favored 'General case' 0 N--CA 1.512 2.663 1 O-C-N 130.585 4.928 . . . . 0.0 108.764 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.19 114.26 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 113.427 -3.177 . . . . 0.0 105.537 175.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -95.22 127.45 41.29 Favored 'General case' 0 N--CA 1.505 2.315 1 O-C-N 129.345 4.153 . . . . 0.0 107.962 -178.104 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.8 t -99.47 170.73 8.41 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.404 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -7.0 49.83 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.141 0.9 . . . . 0.0 112.694 -177.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.51 15.06 30.09 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.638 -2.425 . . . . 0.0 111.996 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.89 80.12 Favored Glycine 0 C--N 1.297 -1.615 0 O-C-N 120.053 -1.655 . . . . 0.0 116.022 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.47 138.17 34.46 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 174.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.0 p -120.03 131.69 55.21 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.653 2.471 . . . . 0.0 105.849 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.53 141.94 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 127.621 3.075 . . . . 0.0 108.927 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.44 139.75 36.68 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 117.147 -1.821 . . . . 0.0 108.091 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 mt -126.45 154.06 44.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 115.363 -2.256 . . . . 0.0 108.34 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -111.82 121.04 43.98 Favored 'General case' 0 N--CA 1.499 2.017 1 O-C-N 129.245 4.091 . . . . 0.0 103.611 173.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.97 170.55 16.03 Favored 'Isoleucine or valine' 0 C--O 1.256 1.406 0 O-C-N 127.55 3.031 . . . . 0.0 111.222 -177.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.9 pm0 -119.89 144.51 37.53 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.43 -2.168 . . . . 0.0 106.364 174.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -55.1 -24.3 39.98 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.466 2.111 . . . . 0.0 111.875 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -80.01 -8.15 59.2 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.912 -177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.01 148.5 47.56 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 117.358 -1.737 . . . . 0.0 109.831 -179.073 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.79 160.52 21.2 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.822 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mp -61.46 -37.06 76.89 Favored 'Isoleucine or valine' 0 C--O 1.247 0.93 0 O-C-N 127.17 2.794 . . . . 0.0 110.245 175.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.52 -40.25 78.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.221 -0.924 . . . . 0.0 110.765 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.35 -41.87 80.07 Favored 'General case' 0 C--O 1.263 1.792 0 O-C-N 121.945 -0.472 . . . . 0.0 110.984 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.23 -46.43 88.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 124.409 1.068 . . . . 0.0 109.112 178.165 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -60.88 -37.86 83.64 Favored 'General case' 0 C--O 1.26 1.619 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.687 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.0 86.82 Favored 'General case' 0 C--O 1.277 2.538 0 CA-C-N 118.184 0.447 . . . . 0.0 111.129 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -37.54 87.83 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 120.441 -1.412 . . . . 0.0 110.668 176.066 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -69.93 -39.58 77.71 Favored 'Isoleucine or valine' 0 C--O 1.251 1.157 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.17 -48.69 78.95 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 125.5 2.571 . . . . 0.0 109.176 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -53.22 -41.83 65.76 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.902 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 0.8 OUTLIER -93.58 -24.23 18.02 Favored 'General case' 0 C--O 1.28 2.688 0 N-CA-C 117.182 2.289 . . . . 0.0 117.182 -175.821 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -123.43 -6.38 8.17 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 123.094 2.679 . . . . 0.0 114.212 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.63 90.01 Favored Glycine 0 CA--C 1.479 -2.17 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.0 mt -79.84 124.71 83.19 Favored Pre-proline 0 C--O 1.243 0.746 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.932 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -56.95 136.89 79.29 Favored 'Trans proline' 0 C--O 1.258 1.516 0 C-N-CA 123.239 2.626 . . . . 0.0 110.768 178.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.08 -32.0 91.94 Favored 'Trans proline' 0 C--O 1.262 1.676 0 O-C-N 122.97 0.984 . . . . 0.0 113.676 -179.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -15.4 63.54 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.951 -1.718 . . . . 0.0 112.206 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.96 -10.29 29.03 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.63 -1.294 . . . . 0.0 112.054 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -84.8 129.58 34.8 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.339 2.019 . . . . 0.0 115.792 -177.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -121.07 116.16 24.5 Favored 'General case' 0 C--O 1.299 3.69 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 171.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.59 130.11 50.96 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 119.631 1.105 . . . . 0.0 109.953 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.44 HG23 ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -122.02 131.88 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 O-C-N 125.088 1.493 . . . . 0.0 111.926 -177.57 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -144.38 129.49 18.62 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.14 19.67 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.195 -2.275 . . . . 0.0 110.766 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.6 21.74 60.82 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 128.672 3.034 . . . . 0.0 117.542 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.03 142.9 46.01 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.91 130.21 34.61 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 103.729 -2.693 . . . . 0.0 103.729 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mp -79.42 138.08 37.49 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 117.656 -1.164 . . . . 0.0 110.229 -176.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.0 mp0 -101.82 140.04 36.64 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 125.123 1.514 . . . . 0.0 109.949 -177.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -47.96 -42.5 27.76 Favored 'General case' 0 C--O 1.264 1.825 0 N-CA-C 120.76 3.615 . . . . 0.0 120.76 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.86 85.47 Favored Glycine 0 CA--C 1.489 -1.58 0 N-CA-C 116.251 1.26 . . . . 0.0 116.251 -177.321 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.0 mtt180 -85.44 165.35 17.25 Favored 'General case' 0 C--O 1.251 1.17 0 O-C-N 119.709 -2.053 . . . . 0.0 108.04 176.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.429 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.6 p -104.43 164.75 11.52 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.49 -36.1 79.51 Favored 'General case' 0 C--O 1.202 -1.428 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -29.46 70.58 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.335 -1.746 . . . . 0.0 112.193 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -39.55 70.88 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.322 1.058 . . . . 0.0 110.617 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -90.73 4.56 51.21 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 117.723 -1.132 . . . . 0.0 113.029 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 58.25 45.17 17.63 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.633 2.015 . . . . 0.0 111.121 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.78 116.46 30.44 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.123 -2.37 . . . . 0.0 106.216 175.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -103.48 169.71 8.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 126.075 2.11 . . . . 0.0 109.406 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -54.88 142.96 27.47 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.293 1.52 . . . . 0.0 109.079 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 66.85 19.31 10.67 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 118.006 2.595 . . . . 0.0 118.006 179.406 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -71.2 159.47 34.58 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 174.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.14 126.81 52.49 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 118.182 -0.913 . . . . 0.0 108.847 175.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.4 mt -103.12 154.56 19.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.821 -2.514 . . . . 0.0 105.641 175.195 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.44 ' O ' HG23 ' A' ' 44' ' ' ILE . 6.1 t-160 -105.71 135.57 46.9 Favored 'General case' 0 C--N 1.287 -2.126 0 O-C-N 127.325 2.891 . . . . 0.0 105.894 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.3 mt -106.8 115.88 30.97 Favored 'General case' 0 C--O 1.285 2.941 0 CA-C-O 117.682 -1.152 . . . . 0.0 111.451 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.09 140.01 28.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 175.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.8 mt -96.18 138.86 33.18 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.204 0.526 . . . . 0.0 109.838 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.77 120.83 9.11 Favored 'General case' 0 C--N 1.277 -2.547 0 CA-C-O 113.208 -3.282 . . . . 0.0 105.592 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -166.62 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.965 0 O-C-N 125.94 2.025 . . . . 0.0 109.575 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? 61.31 38.22 16.53 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 113.641 -1.618 . . . . 0.0 108.836 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.05 -141.86 5.07 Favored Glycine 0 C--O 1.245 0.844 0 CA-C-N 114.649 -1.16 . . . . 0.0 115.09 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.473 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 179.47 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -90.91 138.46 31.58 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 127.197 2.811 . . . . 0.0 108.767 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 pt -131.17 163.13 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-O 115.817 -2.04 . . . . 0.0 105.895 173.141 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.98 140.13 49.57 Favored 'General case' 0 N--CA 1.514 2.761 1 O-C-N 130.604 4.94 . . . . 0.0 108.602 179.794 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -117.88 114.0 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 113.345 -3.217 . . . . 0.0 105.869 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -95.11 127.59 41.28 Favored 'General case' 0 N--CA 1.503 2.18 1 O-C-N 129.177 4.048 . . . . 0.0 108.108 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 53.0 p -99.57 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.791 -1.1 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.37 -6.99 49.71 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 124.106 0.879 . . . . 0.0 112.798 -178.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.0 t -101.22 14.81 30.8 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 115.665 -2.414 . . . . 0.0 111.973 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.59 80.15 Favored Glycine 0 C--N 1.296 -1.65 0 O-C-N 120.277 -1.514 . . . . 0.0 116.093 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -96.27 137.93 34.62 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 p -119.88 131.89 55.38 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 126.355 2.285 . . . . 0.0 106.21 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.51 141.8 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 127.815 3.197 . . . . 0.0 109.109 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.19 139.91 36.22 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 116.982 -1.887 . . . . 0.0 108.405 177.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.58 154.11 44.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 115.524 -2.179 . . . . 0.0 108.305 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -111.91 121.13 44.17 Favored 'General case' 0 N--CA 1.496 1.846 1 O-C-N 129.232 4.082 . . . . 0.0 103.508 174.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 m -139.01 170.64 15.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 O-C-N 127.835 3.209 . . . . 0.0 111.246 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.1 144.63 38.15 Favored Pre-proline 0 C--N 1.312 -1.036 0 CA-C-N 112.019 -2.355 . . . . 0.0 106.273 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -54.91 -24.67 40.11 Favored 'Trans proline' 0 C--N 1.318 -1.053 0 C-N-CA 122.596 2.197 . . . . 0.0 111.591 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 33.7 t -79.89 -8.21 59.18 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 121.142 -0.973 . . . . 0.0 110.964 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -71.0 148.53 47.54 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 117.287 -1.765 . . . . 0.0 109.768 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -83.93 160.52 21.07 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.42 -36.8 75.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 126.957 2.661 . . . . 0.0 110.409 175.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.635 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 88.6 tt0 -56.14 -42.94 77.72 Favored 'General case' 0 C--O 1.253 1.288 0 O-C-N 120.389 -1.444 . . . . 0.0 110.937 176.313 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -64.39 -44.55 90.96 Favored 'General case' 0 C--O 1.251 1.137 0 C-N-CA 124.301 1.041 . . . . 0.0 111.394 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.67 -46.18 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 114.294 -1.321 . . . . 0.0 108.971 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 1.198 ' CG ' ' HB3' ' B' ' 38' ' ' PRO . 0.0 OUTLIER -60.75 -38.05 83.89 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.849 -179.688 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.697 ' CA ' ' HE3' ' B' ' 27' ' ' LYS . . . -66.27 -37.97 86.73 Favored 'General case' 0 C--O 1.278 2.584 0 O-C-N 123.381 0.425 . . . . 0.0 111.336 176.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -63.93 -37.53 87.75 Favored 'General case' 0 C--O 1.253 1.28 0 O-C-N 120.431 -1.418 . . . . 0.0 110.821 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 4.5 mt -69.67 -39.78 78.57 Favored 'Isoleucine or valine' 0 C--O 1.254 1.333 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.94 -48.81 78.72 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.634 2.635 . . . . 0.0 109.081 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.43 -41.83 66.48 Favored 'General case' 0 C--O 1.257 1.477 0 CA-C-N 113.605 -1.634 . . . . 0.0 111.797 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.322 0.0 OUTLIER -93.41 -24.17 18.16 Favored 'General case' 0 C--O 1.282 2.763 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -175.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.77 -6.35 7.98 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 122.965 2.621 . . . . 0.0 113.803 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.58 90.05 Favored Glycine 0 CA--C 1.475 -2.407 0 N-CA-C 118.791 2.277 . . . . 0.0 118.791 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.456 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 1.1 mt -79.81 125.06 82.98 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 118.727 -1.189 . . . . 0.0 111.085 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 26.3 Cg_endo -57.21 136.97 79.6 Favored 'Trans proline' 0 C--O 1.256 1.417 0 C-N-CA 122.964 2.443 . . . . 0.0 110.901 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 1.198 ' HB3' ' CG ' ' B' ' 27' ' ' LYS . 26.8 Cg_endo -57.12 -32.23 92.73 Favored 'Trans proline' 0 C--O 1.262 1.684 0 O-C-N 123.022 1.011 . . . . 0.0 113.424 -179.188 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.24 -15.6 63.64 Favored 'General case' 0 C--O 1.264 1.831 0 O-C-N 119.989 -1.694 . . . . 0.0 112.179 -177.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.641 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 1.5 mp0 -95.58 -10.66 28.95 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.502 -1.374 . . . . 0.0 112.136 178.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -84.8 129.61 34.79 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 124.249 1.976 . . . . 0.0 115.778 -177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -121.15 116.12 24.36 Favored 'General case' 0 C--O 1.299 3.679 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 172.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 mt -103.61 130.31 51.02 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 119.501 1.046 . . . . 0.0 109.964 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.616 ' O ' HG13 ' B' ' 44' ' ' ILE . 0.4 OUTLIER -122.03 131.66 72.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 125.234 1.584 . . . . 0.0 112.06 -177.598 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -144.23 129.88 19.13 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.02 19.37 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 112.002 -2.363 . . . . 0.0 110.676 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.22 59.65 Favored Glycine 0 C--N 1.299 -1.508 0 C-N-CA 128.342 2.877 . . . . 0.0 117.298 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -109.89 143.79 39.3 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 115.285 -2.293 . . . . 0.0 110.903 174.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -87.07 130.31 34.55 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 173.295 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.6 138.46 37.44 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 117.635 -1.174 . . . . 0.0 110.028 -175.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.94 140.0 36.81 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.283 1.615 . . . . 0.0 109.947 -177.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -48.31 -41.95 29.66 Favored 'General case' 0 C--O 1.261 1.695 0 N-CA-C 120.81 3.633 . . . . 0.0 120.81 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.21 -8.59 85.17 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 115.98 1.152 . . . . 0.0 115.98 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mmt-85 -85.64 165.31 17.11 Favored 'General case' 0 C--O 1.251 1.159 0 O-C-N 120.04 -1.859 . . . . 0.0 107.975 176.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 65.7 p -104.32 164.5 11.69 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 177.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.1 -36.39 79.55 Favored 'General case' 0 C--O 1.201 -1.483 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -29.78 70.97 Favored 'General case' 0 C--O 1.267 2.007 0 C-N-CA 117.254 -1.778 . . . . 0.0 112.21 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -39.01 70.36 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.572 1.177 . . . . 0.0 110.795 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -91.13 4.51 52.01 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 117.61 -1.186 . . . . 0.0 112.888 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.83 45.45 18.53 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 121.664 2.029 . . . . 0.0 111.327 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.66 116.21 29.95 Favored 'Isoleucine or valine' 0 C--O 1.272 2.248 0 CA-C-O 114.939 -2.458 . . . . 0.0 106.367 175.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -103.3 169.52 8.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 126.173 2.171 . . . . 0.0 109.7 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.97 142.99 27.81 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 123.15 1.453 . . . . 0.0 109.264 -176.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.02 19.08 10.59 Favored 'General case' 0 C--O 1.255 1.345 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.11 159.57 34.45 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 174.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -119.08 126.59 52.02 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 118.308 -0.853 . . . . 0.0 108.752 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -103.17 154.59 19.15 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 114.67 -2.586 . . . . 0.0 105.731 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -105.61 135.86 46.24 Favored 'General case' 0 C--N 1.284 -2.245 0 O-C-N 127.59 3.056 . . . . 0.0 105.636 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -107.19 115.84 30.87 Favored 'General case' 0 C--O 1.283 2.849 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.452 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.2 t -108.14 139.96 28.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.641 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -96.2 -83.38 0.37 Allowed 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.087 0.47 . . . . 0.0 109.827 178.477 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 170.22 -67.27 0.01 OUTLIER 'General case' 0 C--N 1.277 -2.547 0 CA-C-O 113.356 -3.212 . . . . 0.0 105.378 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 mt 61.76 61.42 1.43 Allowed 'General case' 0 C--N 1.293 -1.871 0 O-C-N 125.737 1.898 . . . . 0.0 109.756 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.87 179.96 0.06 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 113.799 -1.546 . . . . 0.0 108.729 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 146.54 -168.98 27.84 Favored Glycine 0 C--O 1.244 0.771 0 CA-C-N 114.854 -1.066 . . . . 0.0 115.138 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.507 0 CA-C-O 116.579 -2.234 . . . . 0.0 108.306 179.061 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.512 -0.493 0 CA-C-O 121.873 0.844 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -159.47 134.98 8.42 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 119.141 -2.224 . . . . 0.0 110.973 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -142.74 147.35 35.44 Favored 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.821 2.048 . . . . 0.0 110.714 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.607 -178.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.14 -39.64 75.28 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.704 0.764 . . . . 0.0 111.89 172.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.34 136.07 21.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 125.283 1.433 . . . . 0.0 107.484 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.36 148.07 34.25 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.539 165.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.04 155.16 22.76 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.348 1.03 . . . . 0.0 111.149 173.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.2 127.9 34.01 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.178 -1.374 . . . . 0.0 112.335 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.25 147.69 6.65 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.093 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.84 25.13 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.18 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 4.1 mtt -137.13 161.01 37.31 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -136.61 156.54 48.41 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.105 -1.438 . . . . 0.0 108.826 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -92.74 116.14 28.75 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.37 115.87 29.43 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 172.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.23 -116.04 8.62 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.5 m -113.98 14.46 18.43 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.949 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 12.1 p -111.94 122.52 48.0 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 7.5 p -76.05 119.96 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 174.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.2 p -124.14 119.33 26.48 Favored Pre-proline 0 C--O 1.245 0.856 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -173.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.93 134.89 59.51 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 117.9 -0.934 . . . . 0.0 111.872 173.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -85.74 132.19 34.18 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -11.19 59.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -172.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -67.03 144.42 56.17 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -68.18 125.6 26.9 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 171.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.26 21.57 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.249 1.472 . . . . 0.0 115.316 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -128.41 124.36 36.1 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 175.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -90.97 137.63 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 164.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -151.94 157.82 42.3 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.991 0.9 . . . . 0.0 113.055 175.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 55.1 mt -118.84 131.05 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 113.593 -1.64 . . . . 0.0 108.378 174.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -134.07 137.63 44.78 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -100.17 122.12 42.5 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 170.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 12.0 p -84.08 171.1 13.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.267 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -10.44 59.78 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.67 7.48 14.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.231 -0.187 . . . . 0.0 111.028 170.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t 73.87 -1.38 3.08 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.386 1.474 . . . . 0.0 114.766 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.87 149.87 39.39 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 122.231 1.015 . . . . 0.0 113.015 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mm -102.16 129.14 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.138 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 79.7 m-70 -117.64 125.21 50.33 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -176.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -98.7 119.01 36.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 171.202 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . 0.544 ' C ' ' CD1' ' C' ' 61' ' ' TRP . 62.3 m -127.78 156.82 41.87 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . 0.544 ' CD1' ' C ' ' C' ' 60' ' ' CYS . 0.4 OUTLIER -130.44 128.22 40.85 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.711 169.358 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -120.61 134.33 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.046 -1.434 . . . . 0.0 109.775 -176.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -74.34 115.34 13.75 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -64.06 -32.34 73.86 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -46.26 55.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -175.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -91.37 -20.47 21.8 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.555 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.53 2.67 60.58 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.743 -0.476 . . . . 0.0 113.748 -171.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.47 130.01 39.68 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.711 1.256 . . . . 0.0 113.172 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 t -84.15 109.05 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 173.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -94.42 -28.92 15.24 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.96 -171.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . 0.512 ' CB ' ' CE3' ' C' ' 61' ' ' TRP . 8.5 t70 -121.92 135.58 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.865 0.84 . . . . 0.0 109.441 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -154.98 103.26 2.39 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 104.492 -2.41 . . . . 0.0 104.492 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.0 123.29 45.35 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.257 -174.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 pt -75.83 124.23 33.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.355 1.074 . . . . 0.0 111.75 168.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 1.3 mt -123.03 130.31 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.358 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.633 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.21 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.45 1.093 . . . . 0.0 110.902 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -54.24 133.85 57.78 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.889 2.393 . . . . 0.0 111.346 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.56 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.613 2.079 . . . . 0.0 116.613 -175.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.42 -33.6 71.53 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.038 0.835 . . . . 0.0 109.602 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 23.6 p -154.9 168.12 28.01 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.427 -1.309 . . . . 0.0 113.601 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -133.38 139.37 46.75 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.434 -1.712 . . . . 0.0 107.037 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . 0.429 ' CE2' ' HD1' ' C' ' 107' ' ' PHE . 6.0 t80 -106.75 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.54 156.54 42.57 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -67.78 142.86 56.09 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.379 177.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 64.6 t -94.33 98.3 2.87 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -60.94 -31.94 91.98 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 N-CA-C 117.807 2.195 . . . . 0.0 117.807 -167.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.15 8.6 34.84 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 117.956 -1.498 . . . . 0.0 112.19 -164.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 25.1 p -85.06 119.66 72.75 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.475 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.97 -19.86 34.2 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.97 0.984 . . . . 0.0 114.39 -173.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -65.53 -34.67 78.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.457 0.571 . . . . 0.0 110.035 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.52 13.0 64.86 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.535 -172.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -121.02 17.13 11.69 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 93.2 t -97.08 133.48 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -125.05 151.79 45.16 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.446 1.716 . . . . 0.0 110.458 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.04 135.25 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 9.1 tt -95.35 108.14 20.3 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 169.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? -109.28 125.2 52.04 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -171.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -84.84 115.66 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.127 0.892 . . . . 0.0 109.17 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.47 -25.12 68.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.398 -169.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.23 115.17 28.89 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 173.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 32.2 t -91.39 9.09 33.13 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.007 -0.702 . . . . 0.0 110.575 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.71 129.25 38.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 117.942 -1.503 . . . . 0.0 110.501 -165.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 141.75 46.13 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.965 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . 0.417 ' CD1' ' HZ2' ' C' ' 61' ' ' TRP . 0.8 OUTLIER -124.56 126.11 45.28 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 105.898 -1.889 . . . . 0.0 105.898 171.922 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . 0.46 ' O ' ' CD2' ' C' ' 107' ' ' PHE . 1.7 m-85 -100.84 143.66 30.73 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.748 1.28 . . . . 0.0 110.316 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . 0.476 ' CE2' ' CZ2' ' C' ' 61' ' ' TRP . 4.0 m-85 -137.08 156.72 48.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.307 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.5 126.57 35.29 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.408 175.042 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 27.3 mmt -62.68 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.258 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -118.9 4.03 11.5 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.243 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.27 135.87 93.81 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.147 1.451 . . . . 0.0 108.664 172.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.29 -41.35 42.64 Favored 'Trans proline' 0 C--O 1.245 0.842 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.422 -174.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 146.94 24.25 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.498 173.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.7 p -83.43 -9.26 59.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.211 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -33.82 56.06 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 123.504 0.722 . . . . 0.0 112.792 -169.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.25 5.88 37.82 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -56.86 -48.8 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.332 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -32.15 70.33 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.522 -173.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -44.07 80.05 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 120.917 0.389 . . . . 0.0 110.875 175.478 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -55.6 -45.85 77.38 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.98 -1.075 . . . . 0.0 112.35 173.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.53 -43.18 97.42 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.684 0.754 . . . . 0.0 110.348 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -61.8 -43.53 98.66 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.127 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -64.16 -42.33 96.77 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 3.4 t -52.33 -51.91 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.38 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -60.3 -39.57 87.41 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.32 -46.0 82.07 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.445 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -79.0 -24.4 43.75 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 119.437 -0.905 . . . . 0.0 112.47 -174.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.491 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.12 -36.13 41.1 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.19 174.527 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . 0.491 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.73 -11.1 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -168.547 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -141.2 71.84 27.27 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 169.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.66 167.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.698 1.599 . . . . 0.0 111.672 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo . . . . . 0 C--N 1.289 -2.583 0 C-N-CA 122.545 2.163 . . . . 0.0 111.592 179.829 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 mmt . . . . . 0 CA--C 1.549 0.932 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -91.16 138.21 31.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 126.834 2.584 . . . . 0.0 108.864 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.18 162.95 38.31 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 173.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.94 140.2 49.48 Favored 'General case' 0 N--CA 1.514 2.746 1 O-C-N 130.614 4.946 . . . . 0.0 108.749 179.639 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 CA-C-O 113.471 -3.157 . . . . 0.0 105.588 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 127.48 41.21 Favored 'General case' 0 N--CA 1.507 2.376 1 O-C-N 129.38 4.175 . . . . 0.0 107.951 -178.147 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 56.7 p -99.55 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.389 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -6.86 48.98 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 124.123 0.889 . . . . 0.0 112.664 -177.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -101.66 15.16 29.81 Favored 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 115.718 -2.393 . . . . 0.0 111.953 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.25 16.79 80.2 Favored Glycine 0 C--N 1.297 -1.613 0 O-C-N 120.28 -1.512 . . . . 0.0 116.1 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -96.52 138.08 34.64 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p -120.04 131.59 55.17 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 126.623 2.452 . . . . 0.0 105.926 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.41 141.92 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 127.639 3.087 . . . . 0.0 108.932 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.47 139.71 36.76 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 117.09 -1.844 . . . . 0.0 108.148 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.42 153.97 44.28 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.325 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -111.73 121.1 44.18 Favored 'General case' 0 N--CA 1.5 2.028 1 O-C-N 129.255 4.097 . . . . 0.0 103.665 173.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.97 170.57 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.34 0 O-C-N 127.625 3.078 . . . . 0.0 111.201 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -119.99 144.5 37.68 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 112.298 -2.228 . . . . 0.0 106.363 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -55.03 -24.33 39.46 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.515 2.143 . . . . 0.0 111.913 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -79.97 -8.22 59.22 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.944 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.91 148.41 47.77 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 117.436 -1.706 . . . . 0.0 109.867 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -83.8 160.47 21.2 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 175.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.41 -37.12 76.97 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 O-C-N 127.105 2.753 . . . . 0.0 110.239 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.56 -40.15 78.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.346 -0.846 . . . . 0.0 110.838 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.27 -41.93 80.34 Favored 'General case' 0 C--O 1.262 1.725 0 O-C-N 121.923 -0.485 . . . . 0.0 110.956 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.3 t -58.29 -46.29 89.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 178.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -60.87 -37.94 83.87 Favored 'General case' 0 C--O 1.258 1.536 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.741 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.17 87.62 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-N 118.101 0.409 . . . . 0.0 111.15 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -37.42 87.4 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 123.027 1.394 . . . . 0.0 110.751 176.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.5 mt -69.98 -39.57 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -48.82 78.4 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 125.568 2.604 . . . . 0.0 109.102 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -41.76 65.62 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.944 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 0.0 OUTLIER -93.61 -24.21 18.0 Favored 'General case' 0 C--O 1.28 2.704 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -175.841 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -123.42 -6.45 8.17 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 123.154 2.706 . . . . 0.0 114.22 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.65 90.0 Favored Glycine 0 CA--C 1.478 -2.237 0 N-CA-C 118.889 2.315 . . . . 0.0 118.889 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 2.5 tp -79.75 124.87 83.27 Favored Pre-proline 0 C--O 1.244 0.799 0 C-N-CA 118.812 -1.155 . . . . 0.0 110.939 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -57.02 136.81 78.94 Favored 'Trans proline' 0 C--O 1.256 1.403 0 C-N-CA 123.365 2.71 . . . . 0.0 110.769 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.14 -31.96 92.0 Favored 'Trans proline' 0 C--O 1.262 1.71 0 O-C-N 123.014 1.008 . . . . 0.0 113.637 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.47 -15.41 63.54 Favored 'General case' 0 C--O 1.261 1.69 0 O-C-N 119.847 -1.783 . . . . 0.0 112.217 -177.424 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.86 -10.34 29.15 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 120.689 -1.257 . . . . 0.0 112.064 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -84.95 129.61 34.77 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 124.393 2.044 . . . . 0.0 115.738 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.99 116.06 24.36 Favored 'General case' 0 C--O 1.3 3.752 0 N-CA-C 104.957 -2.238 . . . . 0.0 104.957 172.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -103.54 130.2 50.9 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 119.546 1.066 . . . . 0.0 109.933 -177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.0 131.94 72.04 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 O-C-N 125.247 1.592 . . . . 0.0 111.922 -177.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -144.44 129.61 18.66 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.07 19.68 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.196 -2.275 . . . . 0.0 110.725 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.67 21.75 60.99 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 128.625 3.012 . . . . 0.0 117.472 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -115.13 142.8 46.16 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 130.26 34.6 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 174.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.45 138.1 37.47 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.193 -175.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -101.77 140.15 36.45 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 125.038 1.461 . . . . 0.0 109.927 -177.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.97 -42.51 27.85 Favored 'General case' 0 C--O 1.264 1.845 0 N-CA-C 120.85 3.648 . . . . 0.0 120.85 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.95 85.37 Favored Glycine 0 CA--C 1.489 -1.539 0 N-CA-C 116.264 1.266 . . . . 0.0 116.264 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 62.3 mtt180 -85.28 165.32 17.42 Favored 'General case' 0 C--O 1.251 1.184 0 O-C-N 119.709 -2.054 . . . . 0.0 108.12 176.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.434 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 1.1 p -104.52 164.79 11.5 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.54 -36.07 79.55 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 p -64.23 -29.43 70.54 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.307 -1.757 . . . . 0.0 112.226 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -55.49 -39.53 70.54 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.513 1.149 . . . . 0.0 110.743 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -90.88 4.75 51.0 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 117.67 -1.157 . . . . 0.0 112.974 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 58.0 45.2 18.37 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.626 2.012 . . . . 0.0 111.271 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.8 mt -88.69 116.48 30.43 Favored 'Isoleucine or valine' 0 C--O 1.267 1.989 0 CA-C-O 115.133 -2.365 . . . . 0.0 106.189 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.51 169.68 8.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 126.127 2.142 . . . . 0.0 109.322 -176.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 143.0 27.35 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 123.224 1.488 . . . . 0.0 109.115 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 67.02 19.17 10.57 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 117.899 2.555 . . . . 0.0 117.899 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 174.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.9 p -119.14 126.73 52.3 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 118.199 -0.905 . . . . 0.0 108.788 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mp -103.1 154.49 19.23 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.815 -2.517 . . . . 0.0 105.639 175.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -105.61 135.71 46.52 Favored 'General case' 0 C--N 1.287 -2.113 0 O-C-N 127.283 2.864 . . . . 0.0 105.888 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 tt -106.93 115.85 30.89 Favored 'General case' 0 C--O 1.285 2.965 0 CA-C-O 117.584 -1.198 . . . . 0.0 111.434 176.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.7 p -108.11 139.88 28.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.09 138.82 33.17 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.305 0.574 . . . . 0.0 109.816 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -78.63 -24.42 45.28 Favored 'General case' 0 C--N 1.28 -2.452 0 CA-C-O 113.234 -3.27 . . . . 0.0 105.66 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tp -51.88 145.18 10.2 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 125.918 2.011 . . . . 0.0 109.591 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -87.43 163.29 16.82 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 113.614 -1.63 . . . . 0.0 108.833 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.64 -112.83 0.14 Allowed Glycine 0 C--O 1.246 0.891 0 CA-C-N 114.577 -1.192 . . . . 0.0 115.101 -179.016 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.513 0 N-CA-C 108.328 -1.909 . . . . 0.0 108.328 179.452 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.941 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -90.84 138.41 31.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 127.207 2.817 . . . . 0.0 108.887 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.12 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 CA-C-O 115.83 -2.033 . . . . 0.0 105.891 173.242 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 1.169 ' CZ ' ' HB2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -115.99 140.13 49.57 Favored 'General case' 0 N--CA 1.514 2.727 1 O-C-N 130.526 4.891 . . . . 0.0 108.591 179.785 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.91 114.09 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-O 113.502 -3.142 . . . . 0.0 105.777 175.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 1.169 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 10.9 tttt -95.13 127.67 41.36 Favored 'General case' 0 N--CA 1.502 2.174 1 O-C-N 129.14 4.025 . . . . 0.0 108.163 -178.138 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 29.2 p -99.62 170.85 8.3 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.772 -1.109 . . . . 0.0 109.26 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -7.07 50.14 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 124.069 0.855 . . . . 0.0 112.829 -178.283 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.14 14.82 30.73 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 115.68 -2.408 . . . . 0.0 112.063 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.74 80.04 Favored Glycine 0 C--N 1.296 -1.678 0 O-C-N 120.118 -1.614 . . . . 0.0 116.047 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 137.86 34.74 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 174.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 0.636 ' HB ' ' CE1' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -119.88 131.86 55.38 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 126.509 2.381 . . . . 0.0 106.266 176.122 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -109.42 141.76 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 127.726 3.141 . . . . 0.0 109.156 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.0 t -101.22 140.0 36.12 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 116.931 -1.908 . . . . 0.0 108.31 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -126.58 154.04 44.45 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 115.476 -2.202 . . . . 0.0 108.372 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -111.81 121.2 44.41 Favored 'General case' 0 N--CA 1.495 1.814 1 O-C-N 129.28 4.112 . . . . 0.0 103.543 174.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.03 170.68 15.8 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 O-C-N 127.823 3.202 . . . . 0.0 111.277 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -120.09 144.53 37.93 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 112.1 -2.318 . . . . 0.0 106.413 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.86 -24.71 39.97 Favored 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 122.717 2.278 . . . . 0.0 111.563 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -79.91 -8.19 59.18 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.922 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.01 148.58 47.48 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 117.264 -1.775 . . . . 0.0 109.737 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.8 p -83.9 160.43 21.11 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 1.273 HG22 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.38 -36.75 75.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 126.968 2.667 . . . . 0.0 110.392 175.869 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -43.01 77.89 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.341 -1.474 . . . . 0.0 110.991 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -64.3 -44.53 91.36 Favored 'General case' 0 C--O 1.249 1.064 0 C-N-CA 124.181 0.993 . . . . 0.0 111.471 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -58.56 -46.42 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.86 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -60.75 -37.89 83.35 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.853 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.03 86.76 Favored 'General case' 0 C--O 1.279 2.645 0 O-C-N 123.486 0.492 . . . . 0.0 111.273 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -64.08 -37.4 87.3 Favored 'General case' 0 C--O 1.254 1.301 0 O-C-N 120.449 -1.407 . . . . 0.0 110.844 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -39.73 78.3 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -48.72 79.05 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 125.538 2.59 . . . . 0.0 108.975 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.47 -41.77 66.55 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-N 113.696 -1.593 . . . . 0.0 111.818 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 2.4 mmmp? -93.4 -24.37 18.09 Favored 'General case' 0 C--O 1.281 2.722 0 N-CA-C 117.172 2.286 . . . . 0.0 117.172 -175.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.67 -6.37 8.04 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 122.962 2.619 . . . . 0.0 113.752 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.6 90.0 Favored Glycine 0 CA--C 1.475 -2.436 0 N-CA-C 118.746 2.258 . . . . 0.0 118.746 176.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.437 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 5.0 mm -79.89 125.13 82.67 Favored Pre-proline 0 C--O 1.242 0.681 0 C-N-CA 118.701 -1.2 . . . . 0.0 111.056 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.5 Cg_exo -57.12 136.95 79.6 Favored 'Trans proline' 0 C--O 1.257 1.431 0 C-N-CA 122.988 2.459 . . . . 0.0 110.866 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -57.11 -32.29 92.87 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 123.16 1.084 . . . . 0.0 113.431 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.25 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.813 0 O-C-N 119.913 -1.742 . . . . 0.0 112.306 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.628 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 0.5 OUTLIER -95.55 -10.61 29.17 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 120.466 -1.396 . . . . 0.0 112.225 178.44 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -84.8 129.64 34.79 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 124.199 1.952 . . . . 0.0 115.733 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 14.6 mmp_? -121.2 116.09 24.26 Favored 'General case' 0 C--O 1.299 3.676 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 172.152 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -103.56 130.3 50.95 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.506 1.048 . . . . 0.0 110.013 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mt -122.03 131.56 72.88 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.16 1.538 . . . . 0.0 112.009 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.21 129.83 19.12 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 177.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.21 45.87 19.9 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 111.974 -2.376 . . . . 0.0 110.65 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.95 20.21 59.78 Favored Glycine 0 C--N 1.299 -1.493 0 C-N-CA 128.271 2.844 . . . . 0.0 117.283 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.86 143.8 39.23 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 115.346 -2.264 . . . . 0.0 110.987 174.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -87.17 130.29 34.6 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 104.091 -2.559 . . . . 0.0 104.091 173.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.46 138.38 37.56 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.144 -175.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 1.273 ' O ' HG22 ' B' ' 23' ' ' ILE . 69.6 tt0 -101.92 139.92 36.91 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 125.255 1.597 . . . . 0.0 110.005 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.713 ' HA ' ' CG1' ' B' ' 23' ' ' ILE . 0.3 OUTLIER -48.16 -41.95 28.27 Favored 'General case' 0 C--O 1.262 1.74 0 N-CA-C 120.844 3.646 . . . . 0.0 120.844 -175.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.29 -8.57 85.06 Favored Glycine 0 CA--C 1.492 -1.383 0 N-CA-C 115.96 1.144 . . . . 0.0 115.96 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.462 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.2 OUTLIER -85.55 165.37 17.14 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 120.077 -1.837 . . . . 0.0 108.079 176.364 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 3.9 p -104.38 164.48 11.7 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.05 -36.38 79.44 Favored 'General case' 0 C--O 1.202 -1.44 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.8 p -63.74 -29.73 70.91 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 117.294 -1.763 . . . . 0.0 112.208 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -55.64 -39.03 70.32 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 122.494 1.14 . . . . 0.0 110.74 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -91.14 4.51 52.02 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 117.61 -1.186 . . . . 0.0 112.832 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 57.88 45.42 18.42 Favored 'General case' 0 C--O 1.248 1.001 0 CA-C-N 121.726 2.057 . . . . 0.0 111.25 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.9 mt -88.81 116.19 30.0 Favored 'Isoleucine or valine' 0 C--O 1.27 2.144 0 CA-C-O 115.135 -2.364 . . . . 0.0 106.193 175.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -103.24 169.5 8.51 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 126.067 2.104 . . . . 0.0 109.758 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 142.98 27.18 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.14 1.447 . . . . 0.0 109.266 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.93 19.12 10.65 Favored 'General case' 0 C--O 1.256 1.441 0 N-CA-C 117.841 2.534 . . . . 0.0 117.841 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -71.14 159.59 34.41 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' THR . . . . . 0.729 ' HB ' ' CE2' ' B' ' 4' ' ' PHE . 66.2 p -119.1 126.65 52.15 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 118.217 -0.897 . . . . 0.0 108.814 175.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.18 154.54 19.21 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 114.61 -2.614 . . . . 0.0 105.726 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -105.58 135.78 46.37 Favored 'General case' 0 C--N 1.282 -2.332 0 O-C-N 127.709 3.131 . . . . 0.0 105.781 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.09 115.86 30.91 Favored 'General case' 0 C--O 1.283 2.831 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.411 176.637 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.14 139.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 N-CA-C 103.462 -2.792 . . . . 0.0 103.462 175.24 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.628 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -96.17 -83.43 0.37 Allowed 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.044 0.45 . . . . 0.0 109.849 178.374 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 65.68 104.37 0.04 OUTLIER 'General case' 0 C--N 1.278 -2.524 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.449 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.41 -85.71 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 O-C-N 125.731 1.895 . . . . 0.0 109.708 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.97 -178.7 1.87 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.679 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.97 138.12 10.16 Favored Glycine 0 C--O 1.245 0.798 0 CA-C-N 114.788 -1.096 . . . . 0.0 115.244 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.439 0 CA-C-O 116.581 -2.233 . . . . 0.0 108.329 179.099 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 121.984 0.897 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -161.98 56.6 0.25 Allowed 'General case' 0 C--N 1.29 -2.011 0 O-C-N 119.08 -2.263 . . . . 0.0 110.982 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.24 -41.15 5.66 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 126.856 2.062 . . . . 0.0 110.757 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -89.05 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.558 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.2 -39.54 75.13 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.885 172.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 56.9 t -144.4 136.03 21.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 125.244 1.418 . . . . 0.0 107.447 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.33 148.06 34.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.524 165.802 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -161.03 155.28 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.307 1.004 . . . . 0.0 111.196 173.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -72.2 127.81 33.72 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-N 114.207 -1.36 . . . . 0.0 112.295 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.098 179.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.98 164.8 25.13 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.09 -179.22 3.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' MET . . . . . 0.637 ' HG2' ' HB2' ' C' ' 106' ' ' PHE . 0.0 OUTLIER -137.11 161.06 37.15 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.618 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' SER . . . . . 0.504 ' N ' ' SD ' ' C' ' 31' ' ' MET . 70.2 m -136.65 156.51 48.45 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.112 -1.435 . . . . 0.0 108.804 177.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.64 116.16 28.76 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 177.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -112.41 115.84 29.35 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 172.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.23 -116.0 8.57 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 -169.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.97 14.48 18.45 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.417 -0.392 . . . . 0.0 109.995 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -111.98 122.54 48.04 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 34.3 m -76.11 120.0 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.13 119.37 26.49 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.161 -173.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.84 134.83 59.46 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-O 122.383 0.91 . . . . 0.0 111.819 173.43 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.79 132.17 34.17 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 172.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -11.33 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -172.3 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.04 144.44 56.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.03 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 125.58 26.82 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.589 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.24 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.203 1.446 . . . . 0.0 115.337 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.41 124.48 36.38 Favored 'General case' 0 N--CA 1.421 -1.917 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 85.2 t -91.05 137.57 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 164.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -151.9 157.84 42.38 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 122.058 0.932 . . . . 0.0 112.99 175.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 95.3 mt -118.81 131.14 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 113.643 -1.617 . . . . 0.0 108.313 174.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -134.14 137.59 44.62 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.16 122.05 42.38 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.07 171.1 13.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.327 177.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -71.49 -10.5 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.67 -0.812 . . . . 0.0 113.173 -170.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -82.64 7.39 14.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.035 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 19.0 t 73.89 -1.31 3.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.399 1.48 . . . . 0.0 114.755 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.91 149.92 39.29 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.084 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mp -102.26 129.04 54.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.191 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.5 m170 -117.52 125.41 50.8 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -176.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -98.81 118.92 36.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 171.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 81.0 m -127.71 156.89 41.68 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -130.43 128.34 41.12 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.573 -1.649 . . . . 0.0 108.71 169.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -120.75 134.25 55.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.743 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -74.16 115.31 13.5 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.03 -32.39 73.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -176.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 21.6 p -72.55 -46.13 55.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.46 -20.51 21.68 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.516 -176.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.71 60.8 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 119.689 -0.506 . . . . 0.0 113.708 -171.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.5 129.98 39.59 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.646 1.223 . . . . 0.0 113.166 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -94.55 -28.83 15.21 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.898 -171.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -122.0 135.53 54.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.903 0.859 . . . . 0.0 109.386 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.96 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mt -118.12 123.33 45.32 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.213 -174.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 pp -75.91 124.23 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-O 122.396 1.093 . . . . 0.0 111.725 168.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 26.1 mm -122.97 130.35 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.615 -174.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -101.2 158.96 30.81 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.489 1.118 . . . . 0.0 110.881 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.37 133.9 58.46 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.932 2.421 . . . . 0.0 111.282 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.46 6.81 5.89 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -175.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -70.4 -33.54 71.49 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.05 0.841 . . . . 0.0 109.603 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -154.98 168.13 28.02 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.485 -1.286 . . . . 0.0 113.658 -173.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -133.38 139.3 46.71 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 113.515 -1.675 . . . . 0.0 107.003 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -106.73 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.52 156.47 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -67.82 142.87 56.03 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 96.3 t -94.29 98.31 2.86 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 171.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -61.02 -31.96 91.73 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.783 2.186 . . . . 0.0 117.783 -167.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.12 8.65 34.54 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.981 -1.488 . . . . 0.0 112.259 -164.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 78.2 m -85.13 119.68 72.71 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -56.93 -19.93 34.23 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 122.995 0.997 . . . . 0.0 114.427 -173.208 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -34.69 78.9 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.426 0.557 . . . . 0.0 110.079 177.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.46 13.03 64.78 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.57 -172.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -120.93 17.06 11.76 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.05 133.45 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -125.02 151.76 45.15 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.438 1.711 . . . . 0.0 110.437 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 13.1 p -127.0 135.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 33.5 tp -95.5 108.12 20.33 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.863 -2.273 . . . . 0.0 104.863 169.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -109.23 125.19 51.99 Favored 'General case' 0 CA--C 1.484 -1.559 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -84.84 115.68 22.88 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.127 0.892 . . . . 0.0 109.17 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -63.45 -25.16 68.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.395 -169.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.22 115.1 28.79 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 173.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . 0.564 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 102.0 172.4 27.6 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -172.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.4 9.0 33.52 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.017 -0.696 . . . . 0.0 110.575 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -70.59 129.15 38.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.588 -165.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 141.81 46.14 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.892 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.56 126.15 45.35 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 171.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . 0.637 ' HB2' ' HG2' ' C' ' 31' ' ' MET . 1.8 m-85 -100.83 143.72 30.65 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 124.73 1.269 . . . . 0.0 110.362 -177.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -137.08 156.64 48.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.251 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -131.46 126.59 35.42 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.544 -0.863 . . . . 0.0 110.397 174.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.63 137.72 58.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.251 -174.714 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -118.8 3.81 11.59 Favored 'General case' 0 N--CA 1.428 -1.57 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.292 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -61.21 135.88 93.74 Favored Pre-proline 0 C--O 1.266 1.953 0 CA-C-O 123.068 1.413 . . . . 0.0 108.696 172.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.29 -41.36 42.58 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.567 -1.155 . . . . 0.0 112.44 -174.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 146.9 24.25 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.0 110.532 173.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 10.9 t -83.39 -9.3 59.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.199 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -53.57 -33.83 56.17 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.23 5.91 37.87 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -56.96 -48.78 77.53 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.225 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.77 -32.27 70.68 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.548 -173.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -67.34 -43.98 80.22 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 120.928 0.394 . . . . 0.0 110.96 175.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -55.58 -45.85 77.3 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.003 -1.061 . . . . 0.0 112.398 173.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.62 -43.13 97.85 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.618 0.723 . . . . 0.0 110.297 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -43.53 98.67 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.167 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -42.38 96.71 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 77.5 t -52.31 -51.88 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.446 175.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.27 -39.57 87.27 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.24 -46.07 82.08 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.462 -178.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -78.99 -24.54 43.71 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.298 -174.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 5.7 mp -79.04 -36.14 41.49 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.762 -0.775 . . . . 0.0 112.228 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -110.73 -11.08 14.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -168.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.2 71.84 27.28 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 169.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . 0.569 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 72.4 Cg_exo -51.68 -44.69 42.73 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.597 1.531 . . . . 0.0 111.581 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 73.1 Cg_exo . . . . . 0 C--N 1.29 -2.535 0 C-N-CA 122.554 2.169 . . . . 0.0 111.558 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 106.887 -1.524 . . . . 0.0 106.887 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -91.16 138.29 31.71 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 126.836 2.585 . . . . 0.0 108.88 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.22 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -115.99 140.15 49.55 Favored 'General case' 0 N--CA 1.515 2.802 1 O-C-N 130.567 4.917 . . . . 0.0 108.804 179.565 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.4 t -118.05 114.29 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.602 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -95.19 127.53 41.32 Favored 'General case' 0 N--CA 1.505 2.287 1 O-C-N 129.374 4.172 . . . . 0.0 107.974 -178.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 69.6 p -99.66 170.71 8.38 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.865 -1.064 . . . . 0.0 109.28 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 mt -73.29 -7.03 49.79 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.095 0.872 . . . . 0.0 112.686 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.56 15.12 29.88 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.544 -2.462 . . . . 0.0 112.024 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.29 16.83 80.12 Favored Glycine 0 C--N 1.298 -1.574 0 O-C-N 120.197 -1.564 . . . . 0.0 116.124 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.58 138.11 34.65 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 174.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.92 131.66 55.28 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 126.607 2.442 . . . . 0.0 105.938 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.57 141.87 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.685 3.116 . . . . 0.0 108.867 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -101.29 139.78 36.5 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 117.142 -1.823 . . . . 0.0 108.251 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.53 154.02 44.4 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 115.507 -2.187 . . . . 0.0 108.24 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -111.75 120.97 43.81 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.226 4.079 . . . . 0.0 103.673 173.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -138.97 170.58 16.0 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 O-C-N 127.549 3.031 . . . . 0.0 111.25 -177.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.87 144.48 37.43 Favored Pre-proline 0 C--N 1.314 -0.943 0 CA-C-N 112.39 -2.186 . . . . 0.0 106.362 174.693 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.411 ' O ' ' OG1' ' A' ' 55' ' ' THR . 65.9 Cg_exo -55.03 -24.3 39.34 Favored 'Trans proline' 0 C--N 1.319 -0.974 0 C-N-CA 122.514 2.143 . . . . 0.0 111.93 177.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.06 -8.12 59.21 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.918 -177.593 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.0 148.34 47.73 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 117.519 -1.672 . . . . 0.0 109.753 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.7 p -83.7 160.44 21.31 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 175.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.789 HG12 ' HG ' ' A' ' 50' ' ' LEU . 2.0 mp -61.38 -37.11 76.93 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 O-C-N 127.196 2.81 . . . . 0.0 110.236 175.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.57 -40.19 78.4 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.312 -0.867 . . . . 0.0 110.719 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.32 -41.88 80.18 Favored 'General case' 0 C--O 1.262 1.735 0 O-C-N 121.883 -0.51 . . . . 0.0 110.948 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.21 -46.49 88.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 O-C-N 124.446 1.092 . . . . 0.0 109.143 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mmtp -60.82 -37.97 83.82 Favored 'General case' 0 C--O 1.258 1.541 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.697 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.07 87.21 Favored 'General case' 0 C--O 1.277 2.54 0 CA-C-N 118.121 0.419 . . . . 0.0 111.149 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -37.42 87.42 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 123.089 1.423 . . . . 0.0 110.719 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 mt -69.98 -39.52 77.53 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -62.23 -48.79 78.41 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.571 2.605 . . . . 0.0 109.079 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -41.83 65.53 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 113.433 -1.712 . . . . 0.0 111.939 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -93.51 -24.32 18.03 Favored 'General case' 0 C--O 1.28 2.705 0 N-CA-C 117.233 2.309 . . . . 0.0 117.233 -175.847 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -123.35 -6.53 8.21 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 123.056 2.662 . . . . 0.0 114.292 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.08 5.61 90.0 Favored Glycine 0 CA--C 1.477 -2.287 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 28.8 mm -79.78 124.73 83.28 Favored Pre-proline 0 C--O 1.244 0.812 0 C-N-CA 118.872 -1.131 . . . . 0.0 110.977 179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -56.88 136.86 78.97 Favored 'Trans proline' 0 C--O 1.258 1.489 0 C-N-CA 123.407 2.738 . . . . 0.0 110.808 178.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -57.19 -31.95 92.07 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 123.006 1.003 . . . . 0.0 113.686 -179.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -15.34 63.51 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 119.851 -1.781 . . . . 0.0 112.188 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.98 -10.27 29.02 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 120.633 -1.292 . . . . 0.0 112.025 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -84.8 129.55 34.8 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 124.334 2.016 . . . . 0.0 115.685 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -121.03 116.11 24.42 Favored 'General case' 0 C--O 1.3 3.725 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 171.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.554 ' HB3' HD13 ' A' ' 50' ' ' LEU . 1.6 tp -103.59 130.24 50.97 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 119.548 1.067 . . . . 0.0 109.913 -177.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mt -121.98 131.79 72.36 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 O-C-N 125.135 1.522 . . . . 0.0 111.869 -177.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -144.4 129.58 18.67 Favored 'General case' 0 C--N 1.36 1.047 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.18 19.54 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.197 -2.274 . . . . 0.0 110.696 177.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' HA3' ' CD2' ' C' ' 98' ' ' PHE . . . 61.51 21.82 60.72 Favored Glycine 0 N--CA 1.431 -1.644 0 C-N-CA 128.759 3.076 . . . . 0.0 117.506 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -115.1 142.78 46.18 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -85.86 130.31 34.58 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 103.753 -2.684 . . . . 0.0 103.753 174.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.789 ' HG ' HG12 ' A' ' 23' ' ' ILE . 0.1 OUTLIER -79.49 138.12 37.45 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 117.649 -1.167 . . . . 0.0 110.22 -175.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -101.71 140.12 36.43 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 125.067 1.48 . . . . 0.0 109.959 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -48.12 -42.42 29.08 Favored 'General case' 0 C--O 1.264 1.83 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.84 85.42 Favored Glycine 0 CA--C 1.49 -1.527 0 N-CA-C 116.191 1.236 . . . . 0.0 116.191 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' O ' ' CD1' ' A' ' 23' ' ' ILE . 0.7 OUTLIER -85.3 165.32 17.39 Favored 'General case' 0 C--O 1.251 1.133 0 O-C-N 119.73 -2.041 . . . . 0.0 108.09 176.348 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.441 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.6 t -104.45 164.83 11.47 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.55 -36.01 79.4 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 8.3 t -64.13 -29.52 70.64 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.217 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.44 -39.58 70.48 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.451 1.119 . . . . 0.0 110.759 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -90.83 4.72 50.99 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 117.693 -1.146 . . . . 0.0 113.004 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.09 45.27 18.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 121.59 1.996 . . . . 0.0 111.191 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.7 mt -88.8 116.49 30.51 Favored 'Isoleucine or valine' 0 C--O 1.266 1.943 0 CA-C-O 115.187 -2.339 . . . . 0.0 106.227 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.54 169.66 8.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 126.075 2.109 . . . . 0.0 109.334 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -54.91 142.94 27.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 123.256 1.503 . . . . 0.0 109.045 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 67.11 19.1 10.47 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.4 t -71.16 159.51 34.54 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.16 126.81 52.47 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 118.173 -0.918 . . . . 0.0 108.786 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -103.18 154.6 19.15 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.779 -2.534 . . . . 0.0 105.627 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -105.66 135.69 46.62 Favored 'General case' 0 C--N 1.287 -2.125 0 O-C-N 127.287 2.867 . . . . 0.0 105.787 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.2 tp -106.81 115.77 30.77 Favored 'General case' 0 C--O 1.286 3.01 0 CA-C-O 117.533 -1.222 . . . . 0.0 111.551 176.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.12 139.95 28.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 103.538 -2.764 . . . . 0.0 103.538 175.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.06 138.93 32.97 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.191 0.52 . . . . 0.0 109.827 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.97 145.26 56.1 Favored 'General case' 0 C--N 1.278 -2.508 0 CA-C-O 113.21 -3.281 . . . . 0.0 105.539 178.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.22 78.94 3.75 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 125.912 2.008 . . . . 0.0 109.567 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 60.62 104.08 0.02 OUTLIER 'General case' 0 C--O 1.246 0.876 0 CA-C-N 113.664 -1.607 . . . . 0.0 108.863 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.7 129.5 3.71 Favored Glycine 0 C--O 1.246 0.86 0 CA-C-N 114.551 -1.204 . . . . 0.0 115.132 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.571 0 N-CA-C 108.21 -1.956 . . . . 0.0 108.21 179.445 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -91.04 138.45 31.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 127.105 2.753 . . . . 0.0 108.798 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.417 HG21 ' N ' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -131.12 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 CA-C-O 115.75 -2.072 . . . . 0.0 105.841 173.295 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 1.084 ' CE2' ' HB ' ' B' ' 12' ' ' THR . 0.1 OUTLIER -115.93 140.22 49.46 Favored 'General case' 0 N--CA 1.515 2.794 1 O-C-N 130.721 5.013 . . . . 0.0 108.599 179.667 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.738 ' N ' ' CD2' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -117.96 114.12 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-O 113.444 -3.17 . . . . 0.0 105.739 175.498 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.976 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.12 127.6 41.3 Favored 'General case' 0 N--CA 1.502 2.146 1 O-C-N 129.122 4.014 . . . . 0.0 108.153 -178.147 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 8.3 t -99.54 170.85 8.31 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.286 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.38 -7.03 49.93 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.114 0.884 . . . . 0.0 112.864 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 17.2 m -101.2 14.78 30.88 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 115.673 -2.411 . . . . 0.0 111.929 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.53 16.61 80.1 Favored Glycine 0 C--N 1.296 -1.649 0 O-C-N 120.176 -1.577 . . . . 0.0 116.089 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.24 137.87 34.69 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 105.526 -2.027 . . . . 0.0 105.526 174.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 1.084 ' HB ' ' CE2' ' B' ' 4' ' ' PHE . 0.5 OUTLIER -119.86 131.99 55.43 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 126.301 2.251 . . . . 0.0 106.198 176.095 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -109.55 141.73 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 127.706 3.129 . . . . 0.0 109.093 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p -101.13 139.85 36.24 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 116.989 -1.884 . . . . 0.0 108.447 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -126.44 154.07 44.18 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 115.512 -2.185 . . . . 0.0 108.463 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -111.84 121.14 44.25 Favored 'General case' 0 N--CA 1.497 1.891 1 O-C-N 129.224 4.077 . . . . 0.0 103.504 174.127 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.5 p -139.04 170.58 15.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.296 0 O-C-N 127.732 3.145 . . . . 0.0 111.247 -177.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.01 144.65 38.06 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.098 -2.319 . . . . 0.0 106.346 174.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo -54.94 -24.77 40.85 Favored 'Trans proline' 0 C--N 1.317 -1.085 0 C-N-CA 122.761 2.308 . . . . 0.0 111.516 177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.85 -8.24 59.18 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.901 -177.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.93 148.49 47.67 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 117.298 -1.761 . . . . 0.0 109.759 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.83 160.47 21.17 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.714 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 8.2 mm -61.38 -36.8 75.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 126.962 2.664 . . . . 0.0 110.427 175.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.772 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.14 -42.89 77.66 Favored 'General case' 0 C--O 1.252 1.213 0 O-C-N 120.434 -1.416 . . . . 0.0 111.015 176.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.5 -44.47 90.83 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 124.217 1.007 . . . . 0.0 111.366 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.63 -46.29 90.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.81 1.319 . . . . 0.0 108.957 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.804 ' O ' ' NE2' ' B' ' 31' ' ' GLN . 17.0 mttt -60.77 -37.86 83.29 Favored 'General case' 0 C--O 1.255 1.353 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.941 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.62 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -66.4 -37.9 86.27 Favored 'General case' 0 C--O 1.278 2.591 0 O-C-N 123.416 0.447 . . . . 0.0 111.313 176.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -64.06 -37.42 87.36 Favored 'General case' 0 C--O 1.255 1.355 0 O-C-N 120.507 -1.37 . . . . 0.0 110.835 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 3.5 mt -69.76 -39.74 78.3 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . 1.199 ' OE1' ' O ' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -61.96 -48.77 78.88 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.547 2.594 . . . . 0.0 109.036 179.608 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.33 -41.9 66.19 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.835 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.319 3.1 ttmt -93.49 -24.22 18.08 Favored 'General case' 0 C--O 1.28 2.709 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 -175.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -123.66 -6.24 8.05 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 122.921 2.6 . . . . 0.0 113.778 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.92 5.65 89.96 Favored Glycine 0 CA--C 1.475 -2.45 0 N-CA-C 118.748 2.259 . . . . 0.0 118.748 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 1.199 ' O ' ' OE1' ' B' ' 31' ' ' GLN . 11.8 mt -80.02 125.01 82.68 Favored Pre-proline 0 C--O 1.242 0.683 0 C-N-CA 118.677 -1.209 . . . . 0.0 111.047 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 79.7 Cg_exo -57.08 136.96 79.7 Favored 'Trans proline' 0 C--O 1.256 1.423 0 C-N-CA 122.88 2.387 . . . . 0.0 110.958 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . 0.789 ' HG3' ' HG3' ' B' ' 31' ' ' GLN . 35.8 Cg_exo -57.19 -32.11 92.57 Favored 'Trans proline' 0 C--O 1.262 1.708 0 O-C-N 123.009 1.005 . . . . 0.0 113.38 -179.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -68.35 -15.49 63.58 Favored 'General case' 0 C--O 1.264 1.862 0 O-C-N 120.056 -1.653 . . . . 0.0 112.219 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.658 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 2.0 mm100 -95.6 -10.62 29.02 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.378 -1.451 . . . . 0.0 112.16 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 -84.89 129.61 34.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 124.252 1.977 . . . . 0.0 115.759 -177.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.662 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 12.1 mmp_? -121.15 116.24 24.58 Favored 'General case' 0 C--O 1.298 3.63 0 N-CA-C 104.744 -2.317 . . . . 0.0 104.744 172.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mt -103.68 130.29 51.13 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 119.522 1.055 . . . . 0.0 109.964 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.63 ' C ' ' CD2' ' B' ' 45' ' ' PHE . 0.7 OUTLIER -122.04 131.58 72.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 125.077 1.486 . . . . 0.0 112.032 -177.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.774 ' N ' ' CD2' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.28 129.85 19.06 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 105.302 -2.11 . . . . 0.0 105.302 177.429 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.43 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . . . 48.18 45.99 19.77 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 112.051 -2.341 . . . . 0.0 110.62 177.375 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 20.28 59.59 Favored Glycine 0 C--N 1.297 -1.603 0 C-N-CA 128.263 2.84 . . . . 0.0 117.389 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -109.93 143.83 39.3 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 115.383 -2.246 . . . . 0.0 110.905 174.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -87.21 130.32 34.61 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 103.972 -2.603 . . . . 0.0 103.972 173.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.413 ' HG ' ' CE2' ' B' ' 45' ' ' PHE . 1.4 mm? -79.49 138.39 37.53 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 117.573 -1.203 . . . . 0.0 110.136 -175.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.92 140.12 36.63 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 125.273 1.608 . . . . 0.0 109.932 -177.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.772 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.4 OUTLIER -48.36 -42.17 30.76 Favored 'General case' 0 C--O 1.264 1.816 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.695 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.0 -8.71 85.36 Favored Glycine 0 N--CA 1.476 1.307 0 N-CA-C 115.967 1.147 . . . . 0.0 115.967 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 165.18 17.32 Favored 'General case' 0 C--O 1.251 1.181 0 O-C-N 120.237 -1.743 . . . . 0.0 108.094 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.9 p -104.24 164.51 11.67 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 2.1 mt -61.06 -36.53 79.85 Favored 'General case' 0 C--O 1.201 -1.457 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -63.6 -29.85 71.04 Favored 'General case' 0 C--O 1.267 1.981 0 C-N-CA 117.326 -1.75 . . . . 0.0 112.201 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -55.64 -38.95 70.21 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 122.591 1.186 . . . . 0.0 110.812 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.738 ' CZ ' ' HB2' ' B' ' 45' ' ' PHE . 28.4 t80 -91.08 4.35 52.37 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 117.582 -1.199 . . . . 0.0 112.872 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.99 45.41 18.09 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 121.713 2.051 . . . . 0.0 111.261 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.0 OUTLIER -88.83 116.32 30.23 Favored 'Isoleucine or valine' 0 C--O 1.269 2.114 0 CA-C-O 115.065 -2.397 . . . . 0.0 106.302 175.814 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.37 169.48 8.52 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 126.144 2.153 . . . . 0.0 109.712 -176.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -54.85 142.98 27.29 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 123.225 1.488 . . . . 0.0 109.229 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.07 18.99 10.53 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 7.1 t -71.12 159.58 34.44 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.0 t -119.06 126.6 52.07 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 118.221 -0.895 . . . . 0.0 108.772 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.525 ' HG ' ' HA ' ' B' ' 5' ' ' VAL . 2.5 pp -103.14 154.57 19.16 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.66 -2.59 . . . . 0.0 105.768 175.03 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -105.65 135.85 46.32 Favored 'General case' 0 C--N 1.282 -2.336 0 O-C-N 127.473 2.983 . . . . 0.0 105.636 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.3 tp -107.15 115.81 30.83 Favored 'General case' 0 C--O 1.284 2.882 0 CA-C-O 117.572 -1.204 . . . . 0.0 111.393 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -108.12 139.94 28.43 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 N-CA-C 103.411 -2.811 . . . . 0.0 103.411 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.658 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.11 -83.4 0.37 Allowed 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.15 0.5 . . . . 0.0 109.876 178.325 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.2 OUTLIER 150.23 153.79 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.546 0 CA-C-O 113.399 -3.191 . . . . 0.0 105.415 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -148.98 87.53 1.55 Allowed 'General case' 0 C--N 1.294 -1.834 0 O-C-N 125.639 1.837 . . . . 0.0 109.729 179.357 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 49.35 -171.11 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 113.764 -1.562 . . . . 0.0 108.714 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.14 -137.4 10.71 Favored Glycine 0 C--O 1.246 0.875 0 CA-C-N 114.866 -1.061 . . . . 0.0 115.268 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.463 0 CA-C-O 116.532 -2.26 . . . . 0.0 108.334 179.089 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 121.998 0.904 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -73.56 -25.28 60.3 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 119.095 -2.253 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -57.84 3.89 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 126.845 2.058 . . . . 0.0 110.645 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -89.12 137.86 31.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.557 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.18 -39.6 75.15 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.603 0.716 . . . . 0.0 111.833 172.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 t -144.37 136.06 21.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.247 1.419 . . . . 0.0 107.472 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -144.37 147.99 34.12 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.603 165.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -160.94 155.29 23.16 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 124.324 1.015 . . . . 0.0 111.257 173.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.27 127.83 33.78 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-N 114.295 -1.32 . . . . 0.0 112.34 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.19 147.66 6.72 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.062 0.934 . . . . 0.0 110.098 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.01 164.84 25.11 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.12 -179.2 3.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' MET . . . . . 0.524 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.11 161.11 37.03 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.673 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' SER . . . . . 0.524 ' N ' ' HG2' ' C' ' 31' ' ' MET . 5.4 m -136.67 156.41 48.57 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 118.156 -1.418 . . . . 0.0 108.8 177.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 116.14 28.74 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.944 -1.872 . . . . 0.0 105.944 177.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.32 115.83 29.38 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 172.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.22 -116.0 8.57 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.0 14.56 18.43 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.416 -0.392 . . . . 0.0 109.994 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -112.06 122.46 47.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -172.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -76.11 120.01 25.28 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -124.05 119.41 26.58 Favored Pre-proline 0 C--O 1.245 0.866 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.141 -173.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.84 59.27 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 CA-C-O 122.309 0.879 . . . . 0.0 111.836 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -85.74 132.11 34.2 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 172.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.88 -11.25 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -172.272 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 144.5 55.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -173.037 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -68.12 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 171.61 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.38 171.26 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.299 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 8.4 tp -128.37 124.41 36.33 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 175.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -91.03 137.64 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 164.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -152.0 157.76 42.15 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.041 0.924 . . . . 0.0 113.017 175.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 82.9 mt -118.8 131.08 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 113.602 -1.636 . . . . 0.0 108.351 174.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.07 137.64 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-N 115.019 -0.992 . . . . 0.0 108.338 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -100.16 122.01 42.33 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.06 171.11 13.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.291 177.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.52 -10.45 59.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.67 -0.812 . . . . 0.0 113.165 -170.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.66 7.45 14.74 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.987 170.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t 73.71 -1.23 3.12 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.505 1.522 . . . . 0.0 114.744 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.84 149.94 39.42 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.116 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 mm -102.21 129.06 54.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.197 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.5 OUTLIER -117.59 125.35 50.62 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -176.488 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -98.73 119.0 36.73 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 171.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 14.6 m -127.74 156.94 41.63 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -171.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -130.53 128.33 40.93 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.702 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -120.72 134.36 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.772 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -74.28 115.28 13.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 173.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -64.04 -32.4 73.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -176.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 68.8 p -72.51 -46.13 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -91.39 -20.57 21.67 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.539 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.71 60.93 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-O 119.778 -0.457 . . . . 0.0 113.775 -171.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.57 130.04 39.69 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.606 1.203 . . . . 0.0 113.157 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -84.1 109.07 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 173.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.44 -28.92 15.23 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.946 -171.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.97 135.56 54.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.82 0.819 . . . . 0.0 109.383 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -154.99 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mp -118.08 123.2 45.05 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.296 -174.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.87 124.28 33.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.432 1.111 . . . . 0.0 111.715 168.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . 0.554 ' CG2' HD23 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -122.97 130.43 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.615 -174.36 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.31 158.91 30.88 Favored Pre-proline 0 C--O 1.241 0.652 0 O-C-N 124.463 1.102 . . . . 0.0 110.856 173.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.34 133.92 58.46 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.92 2.413 . . . . 0.0 111.31 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.58 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -70.47 -33.55 71.39 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.038 0.835 . . . . 0.0 109.579 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 20.4 p -154.93 168.16 27.89 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.43 -1.308 . . . . 0.0 113.639 -173.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.45 139.29 46.62 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 113.441 -1.709 . . . . 0.0 107.009 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -106.67 124.16 49.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -148.51 156.46 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.8 142.76 56.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.449 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.15 98.42 2.87 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 171.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.1 -31.96 91.08 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 N-CA-C 117.742 2.17 . . . . 0.0 117.742 -167.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.12 8.66 34.5 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.981 -1.488 . . . . 0.0 112.259 -164.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.09 119.59 72.65 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.83 -19.95 33.64 Favored 'Trans proline' 0 C--N 1.346 0.431 0 O-C-N 122.937 0.967 . . . . 0.0 114.437 -173.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -65.54 -34.52 78.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.383 0.538 . . . . 0.0 110.137 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 12.99 64.73 Favored Glycine 0 CA--C 1.506 -0.492 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.505 -172.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . 0.472 HH11 ' HD3' ' C' ' 92' ' ' ARG . 1.3 mmt180 -120.98 17.13 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 69.7 t -97.05 133.45 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -125.03 151.85 45.05 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.481 1.738 . . . . 0.0 110.408 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 4.5 p -127.06 135.27 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 tp -95.34 108.15 20.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 169.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -109.28 125.16 52.0 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -171.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.401 ' CD2' ' HA3' ' A' ' 47' ' ' GLY . 68.4 m-85 -84.77 115.64 22.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.026 0.828 . . . . 0.0 109.189 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -25.19 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.356 -169.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.24 115.19 28.93 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 173.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . 0.662 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.88 172.48 27.76 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -172.782 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.38 8.95 33.71 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.047 -0.678 . . . . 0.0 110.482 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -70.66 129.24 38.63 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 141.84 46.21 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.908 175.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 14.6 mt -124.63 126.19 45.35 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . 0.458 ' HB2' ' SD ' ' C' ' 31' ' ' MET . 15.9 m-85 -100.85 143.65 30.76 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 124.718 1.261 . . . . 0.0 110.336 -177.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -137.03 156.64 48.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.294 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -131.43 126.59 35.48 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.589 -0.845 . . . . 0.0 110.416 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 5.0 mmt -62.72 137.74 58.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.264 -174.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -118.83 3.97 11.55 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.271 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.34 135.96 93.97 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.146 1.451 . . . . 0.0 108.637 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.3 -41.38 42.32 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 117.611 -1.126 . . . . 0.0 112.363 -174.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 146.95 24.23 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 121.138 0.494 . . . . 0.0 110.479 173.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 80.9 p -83.48 -9.23 59.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.182 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -53.57 -33.82 56.15 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -103.23 5.89 37.86 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -56.87 -48.86 77.14 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.0 -1.08 . . . . 0.0 110.247 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -69.83 -32.22 70.53 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.543 -173.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.27 -44.03 80.34 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -55.65 -45.88 77.56 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.025 -1.047 . . . . 0.0 112.249 173.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 9.6 t -60.61 -43.02 97.92 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.681 0.753 . . . . 0.0 110.336 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -43.51 98.7 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.072 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -64.22 -42.3 96.63 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 11.3 t -52.31 -51.93 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.386 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.3 -39.48 87.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.37 -45.97 81.96 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.453 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -78.98 -24.51 43.76 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.474 -0.89 . . . . 0.0 112.394 -174.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.705 HD22 ' O ' ' C' ' 128' ' ' LEU . 0.3 OUTLIER -79.04 -36.06 41.61 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.711 -0.795 . . . . 0.0 112.254 174.518 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.82 -11.04 14.41 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -168.536 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -141.18 71.81 27.37 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 169.424 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . 0.561 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 60.2 Cg_exo -52.4 -45.18 41.42 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.59 1.527 . . . . 0.0 111.645 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 92.3 Cg_endo . . . . . 0 C--N 1.289 -2.59 0 C-N-CA 122.426 2.084 . . . . 0.0 111.654 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 CA--C 1.55 0.953 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.07 138.21 31.77 Favored 'General case' 0 C--O 1.264 1.821 0 O-C-N 126.946 2.654 . . . . 0.0 108.968 178.201 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.405 HG21 ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.28 163.02 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.343 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 173.538 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.405 ' N ' HG21 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -115.99 140.21 49.49 Favored 'General case' 0 N--CA 1.513 2.682 1 O-C-N 130.51 4.881 . . . . 0.0 108.705 179.727 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.5 t -118.14 114.23 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-O 113.426 -3.178 . . . . 0.0 105.578 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -95.19 127.58 41.36 Favored 'General case' 0 N--CA 1.507 2.392 1 O-C-N 129.381 4.176 . . . . 0.0 107.899 -178.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.8 p -99.67 170.72 8.37 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.89 -1.053 . . . . 0.0 109.294 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -7.0 49.7 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.153 0.908 . . . . 0.0 112.656 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.8 p -101.54 15.03 30.17 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.694 -2.403 . . . . 0.0 112.059 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.31 16.76 80.16 Favored Glycine 0 C--N 1.298 -1.54 0 O-C-N 120.159 -1.588 . . . . 0.0 116.106 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 138.1 34.51 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 175.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.01 131.68 55.22 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 126.574 2.421 . . . . 0.0 105.916 176.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.6 141.97 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 127.562 3.039 . . . . 0.0 108.831 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 t -101.4 139.68 36.74 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 117.124 -1.83 . . . . 0.0 108.252 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mp -126.46 154.07 44.21 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 115.384 -2.246 . . . . 0.0 108.303 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -111.86 120.99 43.81 Favored 'General case' 0 N--CA 1.499 1.985 1 O-C-N 129.277 4.11 . . . . 0.0 103.709 173.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.85 170.55 16.15 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 O-C-N 127.467 2.979 . . . . 0.0 111.184 -177.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.958 0 CA-C-N 112.327 -2.215 . . . . 0.0 106.355 174.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.408 ' O ' ' OG1' ' A' ' 55' ' ' THR . 67.8 Cg_exo -54.99 -24.38 39.37 Favored 'Trans proline' 0 C--N 1.321 -0.883 0 C-N-CA 122.465 2.11 . . . . 0.0 111.967 177.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -79.92 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.918 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.04 148.4 47.6 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 117.483 -1.687 . . . . 0.0 109.796 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.74 160.45 21.26 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 175.755 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.9 mm -61.38 -37.17 77.07 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 O-C-N 127.18 2.8 . . . . 0.0 110.296 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -40.2 78.21 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.322 -0.861 . . . . 0.0 110.745 177.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -68.19 -42.0 80.59 Favored 'General case' 0 C--O 1.262 1.716 0 O-C-N 121.83 -0.544 . . . . 0.0 110.979 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -46.51 88.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 124.402 1.064 . . . . 0.0 109.141 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.75 -37.9 83.36 Favored 'General case' 0 C--O 1.258 1.536 0 CA-C-O 118.872 -0.585 . . . . 0.0 110.731 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.17 87.4 Favored 'General case' 0 C--O 1.277 2.532 0 CA-C-N 118.186 0.448 . . . . 0.0 111.134 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -64.09 -37.5 87.68 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-O 123.012 1.387 . . . . 0.0 110.666 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.4 mt -69.99 -39.45 77.42 Favored 'Isoleucine or valine' 0 C--O 1.251 1.175 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.39 -48.59 79.07 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 125.481 2.563 . . . . 0.0 109.073 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -41.74 65.89 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-N 113.56 -1.655 . . . . 0.0 111.937 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 22.0 tttt -93.6 -24.19 18.01 Favored 'General case' 0 C--O 1.28 2.669 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -175.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -123.44 -6.52 8.16 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.115 2.689 . . . . 0.0 114.278 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.64 89.95 Favored Glycine 0 CA--C 1.479 -2.187 0 N-CA-C 118.811 2.285 . . . . 0.0 118.811 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.9 tt -79.78 124.7 83.3 Favored Pre-proline 0 C--O 1.245 0.821 0 C-N-CA 118.891 -1.124 . . . . 0.0 110.898 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.0 Cg_exo -56.88 136.91 79.24 Favored 'Trans proline' 0 C--O 1.26 1.597 0 C-N-CA 123.317 2.678 . . . . 0.0 110.804 178.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -57.25 -31.93 92.16 Favored 'Trans proline' 0 C--O 1.262 1.701 0 O-C-N 123.014 1.007 . . . . 0.0 113.677 -179.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -68.39 -15.39 63.54 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 119.811 -1.805 . . . . 0.0 112.323 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -95.92 -10.36 28.94 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.677 -1.264 . . . . 0.0 112.029 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -84.81 129.58 34.8 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 124.345 2.021 . . . . 0.0 115.749 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -121.04 116.09 24.39 Favored 'General case' 0 C--O 1.3 3.711 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 171.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.0 mt -103.52 130.13 50.85 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 119.535 1.061 . . . . 0.0 110.017 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.41 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -122.02 131.84 72.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 O-C-N 125.229 1.58 . . . . 0.0 111.897 -177.487 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -144.38 129.54 18.65 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.25 46.06 20.01 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.21 -2.268 . . . . 0.0 110.697 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.59 21.72 60.77 Favored Glycine 0 N--CA 1.432 -1.575 0 C-N-CA 128.61 3.005 . . . . 0.0 117.534 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.05 142.8 46.15 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.78 130.29 34.6 Favored 'General case' 0 C--O 1.258 1.546 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 174.529 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 mt -79.5 138.1 37.43 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 117.67 -1.157 . . . . 0.0 110.212 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -101.67 140.16 36.33 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.103 1.502 . . . . 0.0 110.0 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -47.98 -42.53 28.0 Favored 'General case' 0 C--O 1.264 1.828 0 N-CA-C 120.82 3.637 . . . . 0.0 120.82 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.94 85.38 Favored Glycine 0 CA--C 1.49 -1.507 0 N-CA-C 116.22 1.248 . . . . 0.0 116.22 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -85.36 165.29 17.37 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 119.769 -2.018 . . . . 0.0 108.136 176.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.6 t -104.51 164.86 11.45 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.7 mt -61.63 -35.96 79.4 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -29.43 70.55 Favored 'General case' 0 C--O 1.267 2.025 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.251 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -39.66 70.64 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.447 1.118 . . . . 0.0 110.643 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -90.75 4.67 50.96 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 117.679 -1.153 . . . . 0.0 112.977 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 m120 58.04 45.2 18.26 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 121.626 2.012 . . . . 0.0 111.22 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.4 mt -88.71 116.53 30.53 Favored 'Isoleucine or valine' 0 C--O 1.267 1.982 0 CA-C-O 115.19 -2.338 . . . . 0.0 106.18 175.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -103.53 169.61 8.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 126.046 2.091 . . . . 0.0 109.398 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 142.87 27.58 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 123.272 1.51 . . . . 0.0 109.17 -176.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 67.05 19.3 10.52 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 117.96 2.578 . . . . 0.0 117.96 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.22 159.54 34.45 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 174.781 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.21 126.82 52.44 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 118.119 -0.943 . . . . 0.0 108.769 175.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mt -103.21 154.6 19.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.669 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -105.67 135.62 46.75 Favored 'General case' 0 C--N 1.285 -2.202 0 O-C-N 127.375 2.922 . . . . 0.0 105.875 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tt -106.81 115.8 30.82 Favored 'General case' 0 C--O 1.286 2.994 0 CA-C-O 117.591 -1.195 . . . . 0.0 111.464 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.15 139.99 28.29 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 N-CA-C 103.544 -2.762 . . . . 0.0 103.544 175.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.12 138.83 33.17 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.292 0.567 . . . . 0.0 109.74 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.95 143.95 43.44 Favored 'General case' 0 C--O 1.276 2.451 0 CA-C-O 113.146 -3.311 . . . . 0.0 105.574 178.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.14 62.67 0.89 Allowed 'General case' 0 C--N 1.289 -2.023 0 O-C-N 125.963 2.039 . . . . 0.0 109.611 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 59.95 44.01 14.04 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 113.651 -1.613 . . . . 0.0 108.892 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.54 -61.18 0.05 OUTLIER Glycine 0 C--O 1.245 0.818 0 CA-C-N 114.515 -1.22 . . . . 0.0 115.204 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.513 0 N-CA-C 108.221 -1.952 . . . . 0.0 108.221 179.318 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mmt . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -91.02 138.48 31.57 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 127.135 2.772 . . . . 0.0 108.837 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pp -131.12 163.09 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 CA-C-O 115.844 -2.027 . . . . 0.0 105.883 173.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . 1.083 ' CE1' ' HB ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -116.03 140.29 49.41 Favored 'General case' 0 N--CA 1.515 2.784 1 O-C-N 130.579 4.924 . . . . 0.0 108.533 179.763 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.739 ' N ' ' CD1' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -117.99 113.95 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 113.39 -3.195 . . . . 0.0 105.824 175.513 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.822 ' CB ' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.01 127.63 41.21 Favored 'General case' 0 N--CA 1.503 2.215 1 O-C-N 129.186 4.054 . . . . 0.0 108.184 -178.176 . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -7.0 49.74 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 124.066 0.854 . . . . 0.0 112.81 -178.271 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.2 t -101.24 14.82 30.77 Favored 'General case' 0 N--CA 1.506 2.335 0 C-N-CA 115.697 -2.401 . . . . 0.0 111.974 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.56 16.52 80.16 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 120.224 -1.547 . . . . 0.0 116.084 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 137.97 34.5 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 174.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' THR . . . . . 1.083 ' HB ' ' CE1' ' B' ' 4' ' ' PHE . 0.4 OUTLIER -119.98 131.93 55.33 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 126.437 2.335 . . . . 0.0 106.174 176.077 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mp -109.5 141.68 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 127.689 3.118 . . . . 0.0 109.102 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.6 p -101.16 140.0 36.06 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 116.961 -1.896 . . . . 0.0 108.388 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 mt -126.63 153.92 44.69 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 115.501 -2.19 . . . . 0.0 108.343 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.7 121.09 44.18 Favored 'General case' 0 N--CA 1.496 1.848 1 O-C-N 129.249 4.093 . . . . 0.0 103.656 173.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.03 170.64 15.85 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 O-C-N 127.869 3.23 . . . . 0.0 111.237 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.01 144.58 37.9 Favored Pre-proline 0 C--N 1.312 -1.036 0 CA-C-N 112.1 -2.318 . . . . 0.0 106.339 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_endo -54.94 -24.65 40.31 Favored 'Trans proline' 0 C--N 1.317 -1.094 0 C-N-CA 122.691 2.26 . . . . 0.0 111.558 177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.6 p -79.91 -8.19 59.18 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.931 -177.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.9 148.53 47.67 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 117.38 -1.728 . . . . 0.0 109.735 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.88 160.52 21.11 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 18.0 mm -61.44 -36.77 75.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 126.977 2.673 . . . . 0.0 110.329 175.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.583 ' HG3' ' O ' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.18 -42.87 77.76 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 120.447 -1.408 . . . . 0.0 110.988 176.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -64.5 -44.52 90.68 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.247 1.019 . . . . 0.0 111.405 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -46.3 90.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.86 1.35 . . . . 0.0 109.0 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -60.77 -37.92 83.49 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.826 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.99 86.57 Favored 'General case' 0 C--O 1.278 2.589 0 O-C-N 123.313 0.383 . . . . 0.0 111.309 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -64.01 -37.44 87.44 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 122.992 1.377 . . . . 0.0 110.859 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -39.73 78.45 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.96 -48.81 78.7 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 125.44 2.543 . . . . 0.0 109.041 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.37 -41.86 66.28 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.815 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.321 9.7 mtpt -93.45 -24.24 18.1 Favored 'General case' 0 C--O 1.281 2.732 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -123.68 -6.3 8.04 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 122.958 2.617 . . . . 0.0 113.785 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.59 90.02 Favored Glycine 0 CA--C 1.477 -2.308 0 N-CA-C 118.665 2.226 . . . . 0.0 118.665 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 36.4 mm -79.83 124.99 83.07 Favored Pre-proline 0 C--O 1.242 0.667 0 C-N-CA 118.749 -1.18 . . . . 0.0 111.044 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 80.5 Cg_exo -57.06 136.99 79.95 Favored 'Trans proline' 0 C--O 1.256 1.424 0 C-N-CA 122.944 2.43 . . . . 0.0 110.895 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_exo -57.26 -32.21 92.99 Favored 'Trans proline' 0 C--O 1.261 1.657 0 O-C-N 123.116 1.061 . . . . 0.0 113.367 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.17 -15.62 63.66 Favored 'General case' 0 C--O 1.264 1.831 0 O-C-N 119.973 -1.704 . . . . 0.0 112.27 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.782 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 6.9 mm-40 -95.47 -10.69 29.11 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.562 -1.337 . . . . 0.0 112.209 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -84.82 129.66 34.78 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 124.27 1.986 . . . . 0.0 115.755 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.22 116.24 24.53 Favored 'General case' 0 C--O 1.298 3.621 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 172.178 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.65 130.22 51.07 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.457 1.026 . . . . 0.0 109.977 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mm -121.99 131.57 72.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.063 1.477 . . . . 0.0 112.044 -177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.21 129.75 19.04 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.26 45.88 20.06 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 112.042 -2.344 . . . . 0.0 110.622 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.96 20.22 59.82 Favored Glycine 0 C--N 1.298 -1.562 0 C-N-CA 128.22 2.819 . . . . 0.0 117.324 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.91 143.91 39.16 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 115.385 -2.245 . . . . 0.0 110.908 174.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.431 ' CB ' ' HE2' ' C' ' 99' ' ' LYS . 0.9 OUTLIER -87.13 130.32 34.57 Favored 'General case' 0 C--N 1.28 -2.418 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 173.339 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.62 138.42 37.42 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.159 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -101.94 140.0 36.82 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 125.175 1.547 . . . . 0.0 109.884 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.583 ' O ' ' HG3' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -48.13 -42.14 28.45 Favored 'General case' 0 C--O 1.262 1.723 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -175.839 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.14 -8.67 85.19 Favored Glycine 0 CA--C 1.492 -1.353 0 N-CA-C 115.924 1.13 . . . . 0.0 115.924 -177.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -85.61 165.32 17.13 Favored 'General case' 0 C--O 1.251 1.146 0 O-C-N 120.15 -1.794 . . . . 0.0 108.069 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.422 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 76.8 p -104.4 164.52 11.68 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.703 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.5 OUTLIER -61.08 -36.31 79.3 Favored 'General case' 0 C--O 1.201 -1.452 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.213 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -29.65 70.81 Favored 'General case' 0 C--O 1.266 1.954 0 C-N-CA 117.267 -1.773 . . . . 0.0 112.167 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.7 -39.03 70.48 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.548 1.166 . . . . 0.0 110.755 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -91.07 4.44 52.13 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.63 -1.176 . . . . 0.0 112.903 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.6 t30 57.91 45.53 18.15 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 121.77 2.077 . . . . 0.0 111.229 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.703 ' CG2' ' O ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -88.88 116.25 30.14 Favored 'Isoleucine or valine' 0 C--O 1.27 2.142 0 CA-C-O 115.045 -2.407 . . . . 0.0 106.214 175.838 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.34 169.5 8.51 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 126.144 2.152 . . . . 0.0 109.693 -176.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 143.01 27.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.128 1.442 . . . . 0.0 109.283 -176.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 66.92 19.17 10.64 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.14 159.62 34.35 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -119.1 126.62 52.08 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 118.248 -0.882 . . . . 0.0 108.75 175.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.18 154.56 19.19 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 114.715 -2.564 . . . . 0.0 105.715 174.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -105.61 135.74 46.46 Favored 'General case' 0 C--N 1.283 -2.295 0 O-C-N 127.532 3.02 . . . . 0.0 105.751 177.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.06 115.88 30.95 Favored 'General case' 0 C--O 1.283 2.864 0 CA-C-O 117.626 -1.178 . . . . 0.0 111.424 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 5.5 p -108.2 139.85 28.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 N-CA-C 103.474 -2.788 . . . . 0.0 103.474 175.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.782 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.08 -83.43 0.37 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 121.164 0.507 . . . . 0.0 109.805 178.439 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.638 ' N ' ' HG ' ' B' ' 71' ' ' LEU . 0.5 OUTLIER 161.2 -65.15 0.0 OUTLIER 'General case' 0 C--N 1.278 -2.5 0 CA-C-O 113.449 -3.167 . . . . 0.0 105.466 -179.761 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 mt 61.77 70.25 0.6 Allowed 'General case' 0 C--N 1.294 -1.815 0 O-C-N 125.663 1.852 . . . . 0.0 109.674 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.71 109.94 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 113.829 -1.532 . . . . 0.0 108.67 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.9 151.56 21.38 Favored Glycine 0 C--O 1.245 0.801 0 CA-C-N 114.766 -1.106 . . . . 0.0 115.16 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.512 0 CA-C-O 116.497 -2.28 . . . . 0.0 108.336 178.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 122.037 0.922 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.65 177.28 5.52 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 119.065 -2.272 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -149.95 143.45 25.24 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 126.856 2.062 . . . . 0.0 110.661 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -89.05 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.558 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.415 ' HG ' ' CD2' ' C' ' 127' ' ' TYR . 0.1 OUTLIER -70.13 -39.69 75.28 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.669 0.747 . . . . 0.0 111.854 172.456 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.448 ' HB ' HG13 ' C' ' 49' ' ' ILE . 0.9 OUTLIER -144.36 136.14 21.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.178 1.391 . . . . 0.0 107.423 -178.193 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -144.34 148.03 34.23 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.59 165.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -161.0 155.25 23.0 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.239 0.962 . . . . 0.0 111.195 173.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.23 127.84 33.8 Favored 'General case' 0 C--O 1.254 1.329 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.32 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.19 147.75 6.74 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.057 179.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.83 25.13 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 108.299 -1.92 . . . . 0.0 108.299 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -179.19 3.77 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' MET . . . . . 0.732 ' HG2' ' HB2' ' C' ' 106' ' ' PHE . 0.0 OUTLIER -137.17 161.03 37.27 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 174.662 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' SER . . . . . 0.577 ' N ' ' SD ' ' C' ' 31' ' ' MET . 4.7 t -136.64 156.52 48.44 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.039 -1.464 . . . . 0.0 108.773 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.67 116.17 28.77 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 177.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -112.35 115.85 29.41 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 172.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.03 14.52 18.39 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.928 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -111.99 122.45 47.8 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -172.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -76.04 120.02 25.18 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 174.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 41.7 p -124.08 119.39 26.55 Favored Pre-proline 0 C--O 1.244 0.815 0 C-N-CA 122.558 0.343 . . . . 0.0 110.165 -173.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -59.96 134.85 59.19 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 CA-C-O 122.35 0.896 . . . . 0.0 111.792 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.74 132.15 34.19 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.92 -11.3 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -67.01 144.43 56.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -173.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -68.13 125.57 26.8 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 171.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.18 21.61 Favored Glycine 0 C--N 1.316 -0.563 0 CA-C-O 123.169 1.427 . . . . 0.0 115.359 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 11.9 mt -128.39 124.46 36.37 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 94.5 t -90.93 137.48 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 164.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -151.91 157.75 42.24 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.964 0.888 . . . . 0.0 113.045 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.56 ' HB ' ' HD1' ' C' ' 127' ' ' TYR . 0.7 OUTLIER -118.79 131.1 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 113.575 -1.648 . . . . 0.0 108.33 174.864 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.64 44.81 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.332 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . 0.518 ' CB ' ' OH ' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -100.14 122.06 42.39 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 170.277 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 62.9 p -84.03 171.16 13.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.33 177.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.62 -10.39 59.7 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.659 -0.816 . . . . 0.0 113.187 -170.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -82.67 7.39 14.94 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.264 -0.174 . . . . 0.0 110.974 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.8 -1.26 3.12 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.474 1.509 . . . . 0.0 114.809 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.89 149.97 39.33 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.204 -0.999 . . . . 0.0 113.087 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 7.1 mm -102.27 129.18 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.077 -177.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.414 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 9.9 m80 -117.7 125.39 50.59 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -176.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 25.8 t80 -98.87 118.97 36.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 171.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . 0.625 ' C ' ' CD1' ' C' ' 61' ' ' TRP . 2.7 m -127.65 156.89 41.61 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -171.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . 0.625 ' CD1' ' C ' ' C' ' 60' ' ' CYS . 0.0 OUTLIER -130.57 128.31 40.82 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 113.533 -1.667 . . . . 0.0 108.646 169.298 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -120.65 134.29 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.775 -176.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -74.22 115.39 13.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -64.08 -32.42 73.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 72.2 p -72.43 -46.23 55.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -175.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 28.6 t -91.44 -20.46 21.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.598 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.74 60.9 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.713 -0.493 . . . . 0.0 113.723 -171.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.47 129.99 39.63 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.656 1.228 . . . . 0.0 113.136 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -94.49 -28.9 15.21 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.924 -171.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . 0.592 ' HB3' ' CD2' ' C' ' 61' ' ' TRP . 7.4 t70 -121.99 135.55 54.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.837 0.827 . . . . 0.0 109.407 177.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -154.98 103.34 2.39 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 mt -118.05 123.23 45.14 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.295 -174.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 21.4 pt -75.87 124.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.391 1.091 . . . . 0.0 111.661 168.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . 0.436 ' HB ' HD23 ' C' ' 128' ' ' LEU . 0.5 OUTLIER -122.97 130.35 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.615 -174.399 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -101.27 158.97 30.78 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.493 1.121 . . . . 0.0 110.89 173.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.22 133.91 58.01 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.962 2.441 . . . . 0.0 111.287 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.41 6.84 5.91 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -175.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.36 -33.64 71.69 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.061 0.846 . . . . 0.0 109.633 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -154.91 168.16 27.87 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 118.489 -1.284 . . . . 0.0 113.699 -173.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . 0.431 ' HB2' ' HD2' ' C' ' 99' ' ' LYS . 9.0 tp10 -133.45 139.36 46.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.961 -178.11 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . 0.438 ' HB3' ' CE1' ' C' ' 94' ' ' TYR . 1.4 m-85 -106.77 124.23 49.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 156.44 42.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -67.78 142.81 56.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.416 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . 0.466 ' HB ' HG11 ' C' ' 93' ' ' VAL . 3.5 t -94.17 98.25 2.77 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 171.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -60.97 -31.92 91.89 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 N-CA-C 117.809 2.196 . . . . 0.0 117.809 -167.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -91.14 8.61 34.77 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 117.875 -1.53 . . . . 0.0 112.195 -164.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . 0.539 ' HB3' HG12 ' C' ' 93' ' ' VAL . 10.7 t -85.1 119.63 72.68 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.83 -19.95 33.67 Favored 'Trans proline' 0 C--N 1.346 0.395 0 O-C-N 123.049 1.026 . . . . 0.0 114.462 -173.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -65.51 -34.61 78.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.364 0.529 . . . . 0.0 110.073 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.04 64.88 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.563 -172.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -121.06 17.16 11.66 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . 0.539 HG12 ' HB3' ' C' ' 88' ' ' CYS . 2.5 p -97.08 133.48 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.224 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 173.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . 0.772 ' OH ' ' HB2' ' C' ' 96' ' ' LEU . 0.0 OUTLIER -125.09 151.74 45.28 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.56 1.788 . . . . 0.0 110.412 178.638 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . 0.648 ' N ' ' CD1' ' C' ' 94' ' ' TYR . 0.8 OUTLIER -126.95 135.28 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.225 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . 0.772 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 6.3 tt -95.34 108.22 20.38 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 169.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . 0.622 ' O ' ' HE3' ' C' ' 99' ' ' LYS . 7.7 mttt -109.3 125.19 52.05 Favored 'General case' 0 CA--C 1.484 -1.587 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -84.77 115.61 22.8 Favored 'General case' 0 C--O 1.241 0.646 0 O-C-N 124.011 0.819 . . . . 0.0 109.283 176.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . 0.622 ' HE3' ' O ' ' C' ' 97' ' ' LYS . 1.6 mmpt? -63.41 -25.13 68.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.395 -169.524 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.26 115.11 28.79 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.96 172.37 27.64 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -172.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 25.5 t -91.46 9.2 32.86 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.067 -0.667 . . . . 0.0 110.563 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -70.68 129.21 38.54 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.868 -1.533 . . . . 0.0 110.656 -165.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.1 141.7 46.09 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.929 175.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -124.46 126.22 45.55 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 171.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . 0.732 ' HB2' ' HG2' ' C' ' 31' ' ' MET . 0.9 OUTLIER -100.89 143.69 30.74 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.76 1.287 . . . . 0.0 110.339 -177.55 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . 0.648 ' CD1' ' CE2' ' C' ' 94' ' ' TYR . 4.2 m-85 -137.09 156.72 48.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.307 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -131.47 126.53 35.27 Favored 'General case' 0 N--CA 1.419 -1.995 0 C-N-CA 119.586 -0.846 . . . . 0.0 110.4 175.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 18.2 mmt -62.66 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.205 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -118.92 3.98 11.49 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.64 -1.163 . . . . 0.0 110.315 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.24 135.91 93.79 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.118 1.437 . . . . 0.0 108.71 172.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.34 -41.36 42.19 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.58 -1.147 . . . . 0.0 112.33 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.12 146.93 24.25 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.459 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.3 m -83.48 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.125 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.62 -33.81 56.33 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -169.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.2 5.93 37.98 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -174.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -57.0 -48.77 77.67 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.225 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.78 -32.29 70.69 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.313 -0.955 . . . . 0.0 110.56 -173.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.23 -44.03 80.51 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -55.62 -45.83 77.46 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.025 -1.047 . . . . 0.0 112.322 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . 0.807 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 1.2 m -60.63 -43.07 97.94 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.689 0.756 . . . . 0.0 110.326 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.48 98.77 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.129 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -64.22 -42.38 96.6 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . 0.807 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 6.1 m -52.27 -51.9 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.457 175.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -60.33 -39.49 87.24 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.29 -46.1 81.77 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.373 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . 0.56 ' HD1' ' HB ' ' C' ' 49' ' ' ILE . 11.4 t80 -79.04 -24.47 43.58 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.421 -0.912 . . . . 0.0 112.35 -174.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.532 ' O ' ' CD2' ' C' ' 128' ' ' LEU . 0.0 OUTLIER -78.97 -36.09 41.99 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.317 174.462 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -110.8 -11.09 14.42 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -168.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -141.17 71.87 27.4 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 169.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.05 168.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.635 1.557 . . . . 0.0 111.584 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo . . . . . 0 C--N 1.29 -2.534 0 C-N-CA 122.566 2.177 . . . . 0.0 111.625 179.644 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 CA--C 1.549 0.92 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -91.05 138.16 31.81 Favored 'General case' 0 C--O 1.264 1.829 0 O-C-N 126.923 2.64 . . . . 0.0 108.933 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.19 163.08 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 173.466 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.95 140.25 49.43 Favored 'General case' 0 N--CA 1.515 2.779 1 O-C-N 130.671 4.982 . . . . 0.0 108.726 179.623 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.9 t -118.1 114.21 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.594 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 127.59 41.34 Favored 'General case' 0 N--CA 1.507 2.388 1 O-C-N 129.358 4.161 . . . . 0.0 107.925 -178.121 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.0 t -99.61 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.85 -1.072 . . . . 0.0 109.402 179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mt -73.41 -7.04 50.04 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.084 0.865 . . . . 0.0 112.638 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.53 15.19 29.67 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.675 -2.41 . . . . 0.0 112.013 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.77 80.23 Favored Glycine 0 C--N 1.298 -1.562 0 O-C-N 120.262 -1.524 . . . . 0.0 116.098 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.55 138.06 34.69 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 174.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -119.95 131.64 55.25 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.655 2.472 . . . . 0.0 105.964 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.55 141.98 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 127.546 3.029 . . . . 0.0 108.912 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 t -101.49 139.8 36.65 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 117.114 -1.835 . . . . 0.0 108.118 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.51 154.01 44.37 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 115.392 -2.242 . . . . 0.0 108.261 -179.084 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -111.88 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.952 1 O-C-N 129.286 4.116 . . . . 0.0 103.687 173.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -138.94 170.61 15.98 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 O-C-N 127.614 3.071 . . . . 0.0 111.267 -177.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.406 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 8.1 mm-40 -119.91 144.51 37.57 Favored Pre-proline 0 C--N 1.315 -0.93 0 CA-C-N 112.4 -2.182 . . . . 0.0 106.371 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 68.2 Cg_exo -54.98 -24.37 39.3 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.6 2.2 . . . . 0.0 111.968 177.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -8.18 59.19 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.931 -177.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.0 148.35 47.72 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 117.404 -1.718 . . . . 0.0 109.851 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.66 160.47 21.34 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 175.752 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.409 HG12 ' HB3' ' A' ' 50' ' ' LEU . 1.8 mt -61.42 -37.05 76.84 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 O-C-N 127.158 2.786 . . . . 0.0 110.224 175.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -40.15 78.49 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.273 -0.892 . . . . 0.0 110.729 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.34 -41.9 80.07 Favored 'General case' 0 C--O 1.262 1.724 0 O-C-N 121.955 -0.466 . . . . 0.0 110.964 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -46.4 88.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 124.445 1.091 . . . . 0.0 109.234 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -60.9 -37.87 83.73 Favored 'General case' 0 C--O 1.258 1.503 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.711 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.02 86.93 Favored 'General case' 0 C--O 1.278 2.555 0 CA-C-N 118.14 0.427 . . . . 0.0 111.107 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 tptt -64.22 -37.37 87.21 Favored 'General case' 0 C--O 1.254 1.321 0 O-C-N 120.391 -1.443 . . . . 0.0 110.738 176.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.9 mt -70.07 -39.54 77.33 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -48.74 78.65 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 125.524 2.583 . . . . 0.0 109.13 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -41.79 65.6 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 113.461 -1.699 . . . . 0.0 111.881 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 22.6 tttm -93.65 -24.14 17.99 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -175.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -123.43 -6.47 8.17 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.072 2.669 . . . . 0.0 114.258 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.61 90.01 Favored Glycine 0 CA--C 1.478 -2.264 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.7 mm -79.78 124.74 83.28 Favored Pre-proline 0 C--O 1.244 0.768 0 C-N-CA 118.839 -1.144 . . . . 0.0 110.93 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -56.96 136.8 78.78 Favored 'Trans proline' 0 C--O 1.259 1.528 0 C-N-CA 123.208 2.605 . . . . 0.0 110.846 178.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.09 -31.94 91.82 Favored 'Trans proline' 0 C--O 1.262 1.709 0 O-C-N 122.975 0.987 . . . . 0.0 113.674 -179.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.39 -15.41 63.54 Favored 'General case' 0 C--O 1.263 1.784 0 O-C-N 119.938 -1.726 . . . . 0.0 112.263 -177.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -96.01 -10.23 29.06 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 120.544 -1.348 . . . . 0.0 112.064 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -84.85 129.61 34.79 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 124.39 2.043 . . . . 0.0 115.745 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.08 116.08 24.34 Favored 'General case' 0 C--O 1.299 3.663 0 N-CA-C 104.998 -2.223 . . . . 0.0 104.998 171.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.57 130.18 50.93 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 119.436 1.016 . . . . 0.0 109.883 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.485 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -122.02 131.87 72.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.125 1.516 . . . . 0.0 111.877 -177.559 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -144.38 129.55 18.67 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 46.05 19.82 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 112.207 -2.269 . . . . 0.0 110.746 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.72 60.99 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.614 3.007 . . . . 0.0 117.468 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.12 142.8 46.15 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 177.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.82 130.3 34.59 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 103.795 -2.668 . . . . 0.0 103.795 174.599 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HB3' HG12 ' A' ' 23' ' ' ILE . 3.8 mt -79.53 138.09 37.39 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.213 -175.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 52.3 mm-40 -101.74 140.05 36.56 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 125.16 1.537 . . . . 0.0 109.907 -177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -47.92 -42.52 27.41 Favored 'General case' 0 C--O 1.263 1.802 0 N-CA-C 120.762 3.616 . . . . 0.0 120.762 -175.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.65 -8.99 85.3 Favored Glycine 0 CA--C 1.491 -1.44 0 N-CA-C 116.183 1.233 . . . . 0.0 116.183 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.1 mmt85 -85.37 165.42 17.25 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.751 -2.029 . . . . 0.0 108.007 176.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 29.2 p -104.54 164.91 11.42 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 177.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -36.09 79.67 Favored 'General case' 0 C--O 1.202 -1.435 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -29.55 70.68 Favored 'General case' 0 C--O 1.267 1.992 0 C-N-CA 117.366 -1.734 . . . . 0.0 112.197 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -55.52 -39.56 70.67 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 122.416 1.103 . . . . 0.0 110.698 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -90.74 4.55 51.27 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 117.712 -1.137 . . . . 0.0 113.011 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 58.11 45.25 17.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 121.596 1.998 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 7.9 mt -88.79 116.64 30.76 Favored 'Isoleucine or valine' 0 C--O 1.266 1.935 0 CA-C-O 115.185 -2.341 . . . . 0.0 106.144 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -103.61 169.66 8.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 126.148 2.155 . . . . 0.0 109.381 -176.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.93 27.66 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.238 1.494 . . . . 0.0 109.014 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.09 19.06 10.51 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 117.963 2.579 . . . . 0.0 117.963 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m -71.13 159.6 34.39 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 174.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.14 126.75 52.33 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 118.128 -0.939 . . . . 0.0 108.836 175.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -103.2 154.62 19.14 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.821 -2.514 . . . . 0.0 105.62 175.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.8 t-160 -105.66 135.73 46.54 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 127.385 2.928 . . . . 0.0 105.833 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.86 115.74 30.71 Favored 'General case' 0 C--O 1.286 2.992 0 CA-C-O 117.641 -1.171 . . . . 0.0 111.496 176.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.8 t -108.08 139.94 28.39 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.07 138.85 33.1 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.309 0.576 . . . . 0.0 109.824 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -61.12 145.25 51.66 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-O 113.134 -3.317 . . . . 0.0 105.625 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.77 147.93 26.25 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 125.881 1.988 . . . . 0.0 109.54 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.75 -39.95 71.87 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 113.662 -1.608 . . . . 0.0 108.848 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.76 61.55 4.63 Favored Glycine 0 C--O 1.247 0.942 0 CA-C-N 114.585 -1.189 . . . . 0.0 115.019 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.462 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 179.412 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -90.9 138.42 31.61 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 127.102 2.751 . . . . 0.0 108.828 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -131.09 163.09 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 CA-C-O 115.787 -2.054 . . . . 0.0 105.92 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -115.94 140.11 49.57 Favored 'General case' 0 N--CA 1.515 2.811 1 O-C-N 130.65 4.969 . . . . 0.0 108.58 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.1 t -117.9 114.11 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 CA-C-O 113.364 -3.207 . . . . 0.0 105.864 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.16 127.61 41.34 Favored 'General case' 0 N--CA 1.503 2.178 1 O-C-N 129.26 4.1 . . . . 0.0 108.13 -178.054 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.57 170.9 8.27 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.267 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.4 -6.99 49.76 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 124.12 0.887 . . . . 0.0 112.895 -178.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -101.2 14.71 31.1 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 115.693 -2.403 . . . . 0.0 111.924 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.51 16.72 79.99 Favored Glycine 0 C--N 1.295 -1.708 0 O-C-N 120.235 -1.541 . . . . 0.0 116.01 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -96.34 137.96 34.65 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.91 132.01 55.4 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 126.439 2.337 . . . . 0.0 106.154 176.136 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.54 141.79 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 127.764 3.165 . . . . 0.0 109.113 179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -101.21 139.85 36.32 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 117.026 -1.869 . . . . 0.0 108.37 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -126.46 154.14 44.11 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 115.554 -2.165 . . . . 0.0 108.354 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -111.86 121.17 44.33 Favored 'General case' 0 N--CA 1.496 1.858 1 O-C-N 129.196 4.06 . . . . 0.0 103.511 174.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.4 m -139.07 170.69 15.74 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 O-C-N 127.815 3.197 . . . . 0.0 111.184 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' B' ' 19' ' ' PRO . 0.2 OUTLIER -120.1 144.64 38.19 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.05 -2.341 . . . . 0.0 106.332 174.639 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' B' ' 18' ' ' GLU . 76.5 Cg_exo -55.0 -24.75 41.2 Favored 'Trans proline' 0 C--N 1.317 -1.11 0 C-N-CA 122.636 2.224 . . . . 0.0 111.52 177.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 25.1 t -79.87 -8.07 59.09 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.91 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -71.05 148.52 47.47 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 117.366 -1.734 . . . . 0.0 109.707 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.8 160.58 21.18 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 175.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 1.4 mp -61.45 -36.87 75.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 O-C-N 126.925 2.641 . . . . 0.0 110.462 175.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.11 -42.83 77.46 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.468 -1.395 . . . . 0.0 111.017 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.61 -44.49 90.41 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 124.224 1.009 . . . . 0.0 111.329 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -58.69 -46.16 90.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 124.831 1.332 . . . . 0.0 108.945 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -60.81 -37.92 83.63 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.856 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.07 86.91 Favored 'General case' 0 C--O 1.278 2.555 0 O-C-N 123.365 0.416 . . . . 0.0 111.302 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -64.01 -37.38 87.21 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 120.485 -1.384 . . . . 0.0 110.843 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.72 -39.77 78.42 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -61.94 -48.77 78.92 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.614 2.626 . . . . 0.0 109.044 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -41.71 66.59 Favored 'General case' 0 C--O 1.257 1.452 0 CA-C-N 113.613 -1.631 . . . . 0.0 111.866 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 21.5 tttt -93.35 -24.43 18.1 Favored 'General case' 0 C--O 1.28 2.684 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -175.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.65 -6.24 8.06 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 122.986 2.63 . . . . 0.0 113.8 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.58 90.06 Favored Glycine 0 CA--C 1.476 -2.391 0 N-CA-C 118.817 2.287 . . . . 0.0 118.817 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.516 HG22 ' HG2' ' B' ' 40' ' ' GLN . 1.3 mp -79.83 125.09 82.88 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 118.674 -1.21 . . . . 0.0 111.016 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.507 ' HD2' ' NE2' ' B' ' 40' ' ' GLN . 82.8 Cg_exo -57.23 137.07 80.06 Favored 'Trans proline' 0 C--O 1.255 1.371 0 C-N-CA 122.959 2.439 . . . . 0.0 110.86 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_exo -57.27 -32.21 93.03 Favored 'Trans proline' 0 C--O 1.262 1.69 0 O-C-N 123.056 1.029 . . . . 0.0 113.343 -179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -68.29 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 120.002 -1.686 . . . . 0.0 112.244 -177.526 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.516 ' HG2' HG22 ' B' ' 36' ' ' ILE . 0.7 OUTLIER -95.54 -10.56 29.32 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.571 -1.331 . . . . 0.0 112.305 178.399 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . 0.406 ' CG ' HG23 ' B' ' 36' ' ' ILE . 23.8 mt-30 -84.92 129.69 34.76 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 124.259 1.98 . . . . 0.0 115.763 -177.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 tpm_? -121.17 116.26 24.61 Favored 'General case' 0 C--O 1.298 3.657 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 172.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.67 130.25 51.12 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 119.432 1.015 . . . . 0.0 110.077 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.8 mm -122.02 131.53 72.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 O-C-N 125.088 1.493 . . . . 0.0 112.002 -177.396 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -144.18 129.78 19.1 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 177.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 45.91 19.8 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 112.052 -2.34 . . . . 0.0 110.719 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.93 20.19 59.73 Favored Glycine 0 C--N 1.3 -1.456 0 C-N-CA 128.249 2.833 . . . . 0.0 117.315 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -109.87 143.86 39.18 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 115.425 -2.226 . . . . 0.0 110.877 174.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -87.18 130.32 34.59 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 104.045 -2.576 . . . . 0.0 104.045 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.54 138.4 37.48 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 117.602 -1.189 . . . . 0.0 110.11 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -101.89 139.98 36.79 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 125.261 1.6 . . . . 0.0 109.948 -177.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -42.04 29.24 Favored 'General case' 0 C--O 1.263 1.781 0 N-CA-C 120.768 3.618 . . . . 0.0 120.768 -175.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.19 -8.56 85.25 Favored Glycine 0 CA--C 1.492 -1.352 0 N-CA-C 116.019 1.168 . . . . 0.0 116.019 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mmt85 -85.68 165.24 17.14 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.091 -1.829 . . . . 0.0 107.932 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.2 p -104.27 164.49 11.69 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 176.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.09 -36.4 79.58 Favored 'General case' 0 C--O 1.2 -1.501 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -63.59 -29.81 71.01 Favored 'General case' 0 C--O 1.266 1.962 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.265 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.55 -39.17 70.25 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.633 1.206 . . . . 0.0 110.824 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -91.05 4.5 51.95 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 117.598 -1.192 . . . . 0.0 112.92 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 t30 57.97 45.37 18.22 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 121.673 2.033 . . . . 0.0 111.232 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -88.75 116.26 30.09 Favored 'Isoleucine or valine' 0 C--O 1.27 2.152 0 CA-C-O 115.063 -2.399 . . . . 0.0 106.237 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.39 169.54 8.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 126.106 2.129 . . . . 0.0 109.768 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -54.91 142.95 27.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 123.221 1.486 . . . . 0.0 109.249 -176.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 67.04 19.08 10.56 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.03 159.56 34.52 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.9 m -118.97 126.6 52.13 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 118.229 -0.891 . . . . 0.0 108.817 175.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 5.4 mp -103.2 154.55 19.21 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 114.69 -2.576 . . . . 0.0 105.721 174.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -105.66 135.71 46.59 Favored 'General case' 0 C--N 1.283 -2.313 0 O-C-N 127.54 3.025 . . . . 0.0 105.677 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.11 115.85 30.89 Favored 'General case' 0 C--O 1.284 2.887 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.428 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.12 140.0 28.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 103.404 -2.813 . . . . 0.0 103.404 175.264 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.493 ' C ' ' CD2' ' B' ' 71' ' ' LEU . 3.3 tt -96.15 -83.61 0.37 Allowed 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.132 0.492 . . . . 0.0 109.743 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.489 ' N ' HD22 ' B' ' 71' ' ' LEU . 0.0 OUTLIER 158.12 144.08 0.01 OUTLIER 'General case' 0 C--N 1.278 -2.542 0 CA-C-O 113.473 -3.156 . . . . 0.0 105.43 179.762 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -120.8 -57.58 1.88 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 125.647 1.842 . . . . 0.0 109.666 179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 169.94 157.65 0.06 Allowed 'General case' 0 C--O 1.243 0.716 0 CA-C-N 113.898 -1.501 . . . . 0.0 108.679 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.09 -157.47 29.95 Favored Glycine 0 C--O 1.243 0.699 0 CA-C-N 114.849 -1.069 . . . . 0.0 115.217 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.443 0 CA-C-O 116.639 -2.201 . . . . 0.0 108.341 179.149 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 121.935 0.874 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -79.14 -62.56 1.66 Allowed 'General case' 0 C--N 1.29 -2.012 0 O-C-N 119.073 -2.267 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -59.87 3.76 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 126.762 2.025 . . . . 0.0 110.726 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -89.02 137.86 31.93 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.591 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.6 mt -70.18 -39.6 75.15 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.646 0.736 . . . . 0.0 111.833 172.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 t -144.34 136.07 21.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.246 1.418 . . . . 0.0 107.483 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.36 148.0 34.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.527 165.845 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -161.01 155.2 22.89 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.296 0.997 . . . . 0.0 111.213 173.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -72.21 127.79 33.66 Favored 'General case' 0 C--O 1.254 1.329 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.365 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.15 147.66 6.77 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.126 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.97 164.82 25.16 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 -179.16 3.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' MET . . . . . 0.718 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.1 mpt? -137.15 161.08 37.13 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -136.68 156.58 48.35 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 118.045 -1.462 . . . . 0.0 108.773 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.24 -116.0 8.56 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.06 14.57 18.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.394 -0.403 . . . . 0.0 109.914 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 54.5 m -112.05 122.53 48.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 12.9 t -76.13 120.06 25.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.13 119.37 26.49 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.147 -173.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . 0.718 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 31.8 Cg_exo -59.92 134.79 58.95 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 117.937 -0.909 . . . . 0.0 111.907 173.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -85.7 132.2 34.19 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 172.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -11.33 59.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -172.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -67.0 144.44 56.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -173.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 125.58 26.83 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 171.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . 0.436 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.34 171.24 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.205 1.447 . . . . 0.0 115.321 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.43 124.4 36.14 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 175.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 t -91.04 137.56 21.48 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.095 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 164.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -151.88 157.84 42.4 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 122.025 0.917 . . . . 0.0 113.009 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 16.2 mt -118.87 131.01 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.396 174.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.97 137.6 44.91 Favored 'General case' 0 CA--C 1.495 -1.137 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -178.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -100.18 122.04 42.38 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 170.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 8.7 p -84.05 171.11 13.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.235 0.54 . . . . 0.0 111.314 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -71.46 -10.54 59.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -170.29 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -82.68 7.41 14.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.43 0.157 . . . . 0.0 110.99 171.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p 73.83 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.483 1.513 . . . . 0.0 114.684 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 17.6 mt -74.89 149.9 39.35 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 119.216 -0.994 . . . . 0.0 113.107 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 5.8 mm -102.2 129.08 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.122 -177.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.59 125.3 50.54 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -176.515 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -98.8 118.95 36.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 171.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 92.9 m -127.59 156.84 41.62 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 113.577 0.955 . . . . 0.0 113.577 -171.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.53 128.32 40.9 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.668 169.241 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.66 134.34 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.745 -176.313 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -74.23 115.27 13.54 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -63.96 -32.46 74.0 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -176.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -46.26 55.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -175.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.37 -20.52 21.74 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.536 -176.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.57 2.65 60.71 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.721 -0.489 . . . . 0.0 113.74 -171.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -72.44 130.0 39.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.734 1.267 . . . . 0.0 113.195 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 99.4 t -84.17 109.11 17.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -94.45 -28.91 15.23 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.736 -0.786 . . . . 0.0 111.01 -171.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.02 135.53 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.877 0.846 . . . . 0.0 109.386 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.96 103.38 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.11 123.26 45.15 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.282 -174.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . 0.468 HD11 ' N ' ' C' ' 75' ' ' ILE . 1.3 tp -75.83 124.29 33.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.441 1.115 . . . . 0.0 111.694 168.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . 0.468 ' N ' HD11 ' C' ' 74' ' ' ILE . 1.0 OUTLIER -122.93 130.33 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.365 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.641 -174.409 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.29 158.99 30.73 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.441 1.088 . . . . 0.0 110.89 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.22 133.85 57.69 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.91 2.407 . . . . 0.0 111.334 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.43 6.91 5.94 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.45 -33.61 71.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.028 0.831 . . . . 0.0 109.563 176.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 23.3 p -154.88 168.16 27.85 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.54 -1.264 . . . . 0.0 113.699 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -133.49 139.29 46.58 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.954 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -106.67 124.21 49.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.6 156.39 42.34 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -177.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -67.67 142.87 56.23 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.416 177.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 77.0 t -94.37 98.37 2.94 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 171.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -61.04 -31.88 91.47 Favored 'Trans proline' 0 N--CA 1.476 0.49 0 N-CA-C 117.853 2.213 . . . . 0.0 117.853 -167.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -91.12 8.6 34.8 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.933 -1.507 . . . . 0.0 112.203 -164.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 24.2 m -85.07 119.62 72.7 Favored Pre-proline 0 CA--C 1.516 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.94 -19.85 33.95 Favored 'Trans proline' 0 C--N 1.347 0.462 0 O-C-N 123.01 1.005 . . . . 0.0 114.451 -173.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 85.7 p -65.53 -34.62 78.68 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.394 0.543 . . . . 0.0 110.07 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.0 64.83 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.563 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -120.98 17.08 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -96.92 133.42 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 173.546 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -125.03 151.8 45.11 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 125.56 1.788 . . . . 0.0 110.381 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.08 135.4 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -95.44 108.1 20.29 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 169.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.2 125.19 51.96 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -171.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.81 115.68 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.182 0.926 . . . . 0.0 109.205 176.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -25.21 68.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.371 -169.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.23 115.17 28.91 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.86 172.46 27.78 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -172.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.3 p -91.37 8.94 33.73 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.99 -0.712 . . . . 0.0 110.55 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -70.66 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.01 141.83 46.29 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.946 175.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.62 126.2 45.38 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 171.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . 0.427 ' CB ' ' SD ' ' C' ' 31' ' ' MET . 75.4 m-85 -100.92 143.74 30.71 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 124.698 1.249 . . . . 0.0 110.301 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -137.12 156.69 48.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.203 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.4 126.58 35.52 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.41 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.58 137.72 58.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.259 -174.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -118.86 3.99 11.53 Favored 'General case' 0 N--CA 1.429 -1.519 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.289 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -61.22 135.88 93.74 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.128 1.442 . . . . 0.0 108.655 172.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -61.28 -41.33 42.87 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.604 -1.13 . . . . 0.0 112.466 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -96.18 146.96 24.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.475 173.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.0 t -83.47 -9.28 59.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.131 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.53 -33.82 55.92 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -103.28 5.99 37.78 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -174.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -56.96 -48.78 77.53 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 118.955 -1.098 . . . . 0.0 110.327 -177.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -69.76 -32.25 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.43 -0.908 . . . . 0.0 110.576 -173.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -44.1 79.99 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.923 0.392 . . . . 0.0 110.885 175.509 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -55.49 -45.93 76.98 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.021 -1.05 . . . . 0.0 112.37 173.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.56 -43.1 97.65 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.63 0.729 . . . . 0.0 110.293 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -62.01 -43.37 98.98 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.101 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -42.28 96.49 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 40.8 t -52.27 -51.94 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.448 175.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.33 -39.5 87.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.21 -46.1 82.05 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.51 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -78.95 -24.4 43.94 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 119.495 -0.882 . . . . 0.0 112.44 -174.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 7.1 mp -79.09 -36.17 41.2 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 119.782 -0.767 . . . . 0.0 112.245 174.473 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -110.71 -11.11 14.44 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -168.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -141.17 71.95 27.34 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 169.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -81.31 170.43 14.78 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 121.594 1.53 . . . . 0.0 111.624 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo . . . . . 0 C--N 1.29 -2.524 0 C-N-CA 122.431 2.087 . . . . 0.0 111.636 179.866 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtp . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 106.868 -1.531 . . . . 0.0 106.868 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -91.21 138.22 31.76 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 126.875 2.609 . . . . 0.0 108.767 178.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.24 163.01 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.398 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.91 140.26 49.42 Favored 'General case' 0 N--CA 1.514 2.743 1 O-C-N 130.605 4.941 . . . . 0.0 108.81 179.602 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.11 114.17 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-O 113.399 -3.191 . . . . 0.0 105.601 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.18 127.57 41.33 Favored 'General case' 0 N--CA 1.507 2.379 1 O-C-N 129.371 4.169 . . . . 0.0 107.922 -178.123 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.59 170.82 8.33 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.358 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.9 mt -73.37 -7.01 49.86 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.057 0.848 . . . . 0.0 112.708 -177.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.8 p -101.53 15.12 29.87 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 115.673 -2.411 . . . . 0.0 112.048 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.25 16.72 80.26 Favored Glycine 0 C--N 1.298 -1.567 0 O-C-N 120.222 -1.548 . . . . 0.0 116.146 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.5 138.1 34.59 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 175.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.9 131.72 55.32 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 126.605 2.441 . . . . 0.0 105.895 176.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -109.59 141.91 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 127.666 3.104 . . . . 0.0 108.851 179.711 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 t -101.45 139.65 36.82 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.144 -1.822 . . . . 0.0 108.184 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.34 153.99 44.13 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 115.329 -2.272 . . . . 0.0 108.394 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.82 121.13 44.22 Favored 'General case' 0 N--CA 1.498 1.974 1 O-C-N 129.252 4.095 . . . . 0.0 103.666 173.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.06 170.55 15.94 Favored 'Isoleucine or valine' 0 C--O 1.255 1.379 0 O-C-N 127.568 3.042 . . . . 0.0 111.203 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.413 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 8.4 mm-40 -119.92 144.49 37.54 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 112.382 -2.19 . . . . 0.0 106.355 174.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 68.4 Cg_exo -54.96 -24.31 38.85 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 122.476 2.117 . . . . 0.0 111.973 177.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 p -80.04 -8.09 59.19 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 117.949 -1.025 . . . . 0.0 110.862 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.08 148.43 47.5 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 117.393 -1.723 . . . . 0.0 109.851 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.76 160.58 21.22 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 22.7 mm -61.6 -36.95 76.59 Favored 'Isoleucine or valine' 0 C--O 1.246 0.897 0 O-C-N 127.265 2.853 . . . . 0.0 110.244 175.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.56 -40.18 78.34 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.297 -0.877 . . . . 0.0 110.783 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.33 -41.92 80.07 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 121.847 -0.533 . . . . 0.0 110.939 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.2 -46.44 88.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.377 1.048 . . . . 0.0 109.148 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -60.82 -37.91 83.63 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.726 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.95 86.53 Favored 'General case' 0 C--O 1.277 2.538 0 CA-C-N 118.088 0.404 . . . . 0.0 111.104 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -37.55 87.84 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 120.375 -1.453 . . . . 0.0 110.716 175.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.7 mt -69.94 -39.57 77.67 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -48.76 78.54 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 125.551 2.596 . . . . 0.0 109.112 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -41.75 65.32 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 113.46 -1.7 . . . . 0.0 111.987 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 0.8 OUTLIER -93.65 -24.25 17.96 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.172 2.286 . . . . 0.0 117.172 -175.857 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -123.42 -6.42 8.18 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 123.082 2.674 . . . . 0.0 114.209 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.06 5.72 89.94 Favored Glycine 0 CA--C 1.478 -2.236 0 N-CA-C 118.87 2.308 . . . . 0.0 118.87 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 3.3 mt -79.84 124.66 83.21 Favored Pre-proline 0 C--O 1.244 0.77 0 C-N-CA 118.93 -1.108 . . . . 0.0 110.947 179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 79.7 Cg_exo -56.9 136.75 78.38 Favored 'Trans proline' 0 C--O 1.259 1.525 0 C-N-CA 123.369 2.713 . . . . 0.0 110.809 178.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -57.1 -31.95 91.84 Favored 'Trans proline' 0 C--O 1.263 1.729 0 O-C-N 123.013 1.007 . . . . 0.0 113.686 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.44 -15.33 63.51 Favored 'General case' 0 C--O 1.261 1.698 0 O-C-N 119.828 -1.795 . . . . 0.0 112.288 -177.512 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -96.08 -10.08 29.26 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 120.566 -1.334 . . . . 0.0 111.987 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -84.99 129.64 34.76 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.429 2.061 . . . . 0.0 115.735 -177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -121.15 116.06 24.24 Favored 'General case' 0 C--O 1.3 3.744 0 N-CA-C 104.943 -2.243 . . . . 0.0 104.943 172.041 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -103.51 130.21 50.84 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 119.545 1.066 . . . . 0.0 109.934 -177.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -122.07 131.85 72.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 O-C-N 125.13 1.519 . . . . 0.0 111.934 -177.548 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -144.39 129.46 18.57 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.33 46.01 20.28 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.73 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 21.82 60.87 Favored Glycine 0 N--CA 1.431 -1.664 0 C-N-CA 128.729 3.062 . . . . 0.0 117.48 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -115.11 142.73 46.26 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.67 130.3 34.6 Favored 'General case' 0 C--O 1.258 1.504 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.53 138.06 37.38 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 117.728 -1.129 . . . . 0.0 110.201 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -101.69 140.13 36.4 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 125.06 1.475 . . . . 0.0 110.005 -177.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -48.05 -42.49 28.64 Favored 'General case' 0 C--O 1.263 1.813 0 N-CA-C 120.779 3.622 . . . . 0.0 120.779 -175.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.84 85.5 Favored Glycine 0 CA--C 1.489 -1.543 0 N-CA-C 116.278 1.271 . . . . 0.0 116.278 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.47 165.27 17.29 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 119.808 -1.995 . . . . 0.0 108.08 176.448 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 1.0 OUTLIER -104.46 164.84 11.46 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 177.102 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.55 -35.97 79.3 Favored 'General case' 0 C--O 1.202 -1.439 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 177.248 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.29 70.37 Favored 'General case' 0 C--O 1.268 2.061 0 C-N-CA 117.222 -1.791 . . . . 0.0 112.154 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.62 -39.47 70.84 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 122.504 1.145 . . . . 0.0 110.678 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -90.85 4.68 51.12 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.974 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m120 58.07 45.24 18.1 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.667 2.03 . . . . 0.0 111.168 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 22.4 mt -88.75 116.52 30.54 Favored 'Isoleucine or valine' 0 C--O 1.267 1.98 0 CA-C-O 115.182 -2.342 . . . . 0.0 106.192 175.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.54 169.66 8.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 126.051 2.094 . . . . 0.0 109.354 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.83 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 123.199 1.476 . . . . 0.0 109.148 -176.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.02 19.21 10.57 Favored 'General case' 0 C--O 1.254 1.328 0 N-CA-C 118.045 2.609 . . . . 0.0 118.045 179.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -71.3 159.53 34.42 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.12 126.69 52.21 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 118.112 -0.947 . . . . 0.0 108.868 175.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.16 154.49 19.25 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 114.813 -2.518 . . . . 0.0 105.657 175.255 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -105.63 135.65 46.65 Favored 'General case' 0 C--N 1.288 -2.105 0 O-C-N 127.334 2.897 . . . . 0.0 105.84 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.82 115.81 30.83 Favored 'General case' 0 C--O 1.285 2.958 0 CA-C-O 117.579 -1.2 . . . . 0.0 111.445 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.8 p -108.07 139.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 174.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.3 mt -96.11 138.93 33.02 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.279 0.562 . . . . 0.0 109.816 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -56.38 107.04 0.33 Allowed 'General case' 0 C--N 1.279 -2.49 0 CA-C-O 113.187 -3.292 . . . . 0.0 105.502 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.1 tp 59.65 94.24 0.03 OUTLIER 'General case' 0 C--N 1.29 -1.981 0 O-C-N 125.867 1.979 . . . . 0.0 109.63 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -51.39 -76.2 0.03 OUTLIER 'General case' 0 C--O 1.245 0.838 0 CA-C-N 113.659 -1.61 . . . . 0.0 108.867 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.24 -40.41 2.25 Favored Glycine 0 C--O 1.247 0.95 0 CA-C-N 114.474 -1.239 . . . . 0.0 115.025 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.469 0 N-CA-C 108.262 -1.935 . . . . 0.0 108.262 179.491 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.99 138.39 31.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 127.167 2.792 . . . . 0.0 108.836 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.05 163.07 37.97 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 CA-C-O 115.854 -2.022 . . . . 0.0 105.836 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -115.98 140.13 49.56 Favored 'General case' 0 N--CA 1.513 2.715 1 O-C-N 130.527 4.892 . . . . 0.0 108.652 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -117.96 114.07 44.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-O 113.483 -3.151 . . . . 0.0 105.736 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . 0.409 ' HG3' ' HA ' ' B' ' 68' ' ' HIS . 0.1 OUTLIER -95.06 127.61 41.25 Favored 'General case' 0 N--CA 1.502 2.151 1 O-C-N 129.18 4.05 . . . . 0.0 108.125 -178.141 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.54 170.81 8.34 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.772 -1.109 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.47 -6.9 49.35 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.085 0.866 . . . . 0.0 112.789 -178.292 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.25 14.83 30.73 Favored 'General case' 0 N--CA 1.506 2.354 0 C-N-CA 115.731 -2.388 . . . . 0.0 111.963 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.62 80.18 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.196 -1.565 . . . . 0.0 116.13 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -96.25 137.87 34.68 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.8 p -119.9 131.89 55.37 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 126.344 2.277 . . . . 0.0 106.169 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 tp -109.46 141.83 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.797 3.186 . . . . 0.0 109.099 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 p -101.24 139.91 36.26 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 116.893 -1.923 . . . . 0.0 108.4 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.47 154.0 44.32 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 115.503 -2.189 . . . . 0.0 108.485 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -111.83 121.15 44.27 Favored 'General case' 0 N--CA 1.495 1.814 1 O-C-N 129.122 4.014 . . . . 0.0 103.591 174.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.09 170.56 15.9 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 O-C-N 127.731 3.144 . . . . 0.0 111.256 -177.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.1 144.6 38.1 Favored Pre-proline 0 C--N 1.313 -1.018 0 CA-C-N 112.065 -2.334 . . . . 0.0 106.241 174.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_exo -54.84 -24.8 40.21 Favored 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 122.635 2.224 . . . . 0.0 111.537 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 43.3 t -79.86 -8.21 59.17 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.102 -0.999 . . . . 0.0 110.91 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.94 148.53 47.61 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.782 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -83.84 160.54 21.15 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 175.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.768 HG12 ' HG ' ' B' ' 50' ' ' LEU . 2.0 mp -61.43 -36.81 75.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 126.888 2.617 . . . . 0.0 110.364 175.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -42.89 77.93 Favored 'General case' 0 C--O 1.251 1.166 0 O-C-N 120.424 -1.423 . . . . 0.0 110.979 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.43 -44.47 91.09 Favored 'General case' 0 C--O 1.251 1.147 0 C-N-CA 124.173 0.989 . . . . 0.0 111.498 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.0 t -58.64 -46.25 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.286 -1.325 . . . . 0.0 108.983 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -60.81 -37.96 83.74 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.882 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.08 87.07 Favored 'General case' 0 C--O 1.278 2.57 0 O-C-N 123.365 0.416 . . . . 0.0 111.354 176.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -64.05 -37.4 87.3 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 120.519 -1.363 . . . . 0.0 110.849 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.2 mt -69.69 -39.71 78.42 Favored 'Isoleucine or valine' 0 C--O 1.253 1.261 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -48.84 78.55 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 125.494 2.569 . . . . 0.0 108.96 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.52 -41.69 66.62 Favored 'General case' 0 C--O 1.256 1.423 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.8 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 4.3 mttp -93.42 -24.38 18.07 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 117.164 2.283 . . . . 0.0 117.164 -175.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.58 -6.32 8.09 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 122.939 2.609 . . . . 0.0 113.81 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.04 5.6 90.03 Favored Glycine 0 CA--C 1.476 -2.4 0 N-CA-C 118.718 2.247 . . . . 0.0 118.718 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 49.0 mt -79.91 125.05 82.8 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 118.736 -1.185 . . . . 0.0 111.035 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.0 Cg_exo -57.17 137.01 79.86 Favored 'Trans proline' 0 C--O 1.257 1.435 0 C-N-CA 122.941 2.427 . . . . 0.0 110.85 178.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -57.22 -32.22 92.93 Favored 'Trans proline' 0 C--O 1.261 1.67 0 O-C-N 122.979 0.989 . . . . 0.0 113.315 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -68.33 -15.55 63.61 Favored 'General case' 0 C--O 1.264 1.827 0 O-C-N 120.039 -1.663 . . . . 0.0 112.187 -177.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 7.4 mp0 -95.61 -10.47 29.38 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.471 -1.393 . . . . 0.0 112.169 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -84.92 129.66 34.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 124.232 1.967 . . . . 0.0 115.755 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -121.16 116.07 24.26 Favored 'General case' 0 C--O 1.299 3.676 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 172.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.57 ' HB3' HD13 ' B' ' 50' ' ' LEU . 1.6 tp -103.52 130.28 50.87 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 119.536 1.062 . . . . 0.0 109.989 -177.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -121.98 131.56 72.87 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.131 1.52 . . . . 0.0 112.059 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.847 ' HB2' ' CZ ' ' B' ' 59' ' ' TYR . 0.0 OUTLIER -144.21 129.85 19.14 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.436 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . 0.429 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . . . 48.09 46.0 19.47 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 112.011 -2.359 . . . . 0.0 110.682 177.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.91 20.18 59.66 Favored Glycine 0 C--N 1.299 -1.486 0 C-N-CA 128.233 2.825 . . . . 0.0 117.334 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -109.89 143.86 39.2 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 115.411 -2.233 . . . . 0.0 110.916 174.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.478 ' HB3' ' HB2' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -87.19 130.28 34.62 Favored 'General case' 0 C--N 1.281 -2.394 0 N-CA-C 104.002 -2.592 . . . . 0.0 104.002 173.375 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.768 ' HG ' HG12 ' B' ' 23' ' ' ILE . 0.2 OUTLIER -79.57 138.39 37.46 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.028 -175.782 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -101.89 139.95 36.83 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 125.173 1.545 . . . . 0.0 110.02 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -42.13 28.72 Favored 'General case' 0 C--O 1.263 1.79 0 N-CA-C 120.714 3.598 . . . . 0.0 120.714 -175.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.12 -8.66 85.24 Favored Glycine 0 CA--C 1.492 -1.359 0 N-CA-C 116.035 1.174 . . . . 0.0 116.035 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.445 ' O ' ' CD1' ' B' ' 23' ' ' ILE . 0.0 OUTLIER -85.56 165.31 17.18 Favored 'General case' 0 C--O 1.25 1.083 0 O-C-N 120.186 -1.773 . . . . 0.0 107.985 176.454 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 53.1 p -104.32 164.45 11.73 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 176.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.99 -36.41 79.38 Favored 'General case' 0 C--O 1.2 -1.505 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 177.2 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.1 p -63.61 -29.76 70.97 Favored 'General case' 0 C--O 1.268 2.07 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.229 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -39.07 70.56 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 122.471 1.129 . . . . 0.0 110.706 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.847 ' CZ ' ' HB2' ' B' ' 45' ' ' PHE . 21.0 t80 -91.08 4.48 52.05 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.914 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 58.04 45.34 18.06 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 121.717 2.053 . . . . 0.0 111.253 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . 0.509 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.0 OUTLIER -88.73 116.26 30.07 Favored 'Isoleucine or valine' 0 C--O 1.271 2.193 0 CA-C-O 115.078 -2.391 . . . . 0.0 106.289 175.848 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.35 169.59 8.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 126.098 2.124 . . . . 0.0 109.704 -176.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -55.05 143.05 28.08 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.23 1.49 . . . . 0.0 109.229 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 67.01 19.07 10.6 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 117.885 2.55 . . . . 0.0 117.885 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 30.8 t -71.11 159.51 34.57 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 174.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -118.97 126.62 52.18 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 118.199 -0.905 . . . . 0.0 108.842 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -103.14 154.52 19.21 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 114.672 -2.585 . . . . 0.0 105.755 175.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.409 ' HA ' ' HG3' ' B' ' 6' ' ' LYS . 3.0 m-70 -105.51 135.71 46.42 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 127.588 3.055 . . . . 0.0 105.79 177.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tt -107.01 115.8 30.82 Favored 'General case' 0 C--O 1.284 2.917 0 CA-C-O 117.705 -1.141 . . . . 0.0 111.425 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.1 t -108.13 139.96 28.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.717 0 N-CA-C 103.42 -2.807 . . . . 0.0 103.42 175.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.577 ' O ' ' CB ' ' B' ' 72' ' ' ARG . 2.9 tt -96.03 -83.5 0.37 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.256 0.551 . . . . 0.0 109.847 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER 149.59 154.64 0.0 OUTLIER 'General case' 0 C--N 1.279 -2.466 0 CA-C-O 113.44 -3.172 . . . . 0.0 105.459 -179.817 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 mt -141.28 -50.35 0.42 Allowed 'General case' 0 C--N 1.294 -1.834 0 O-C-N 125.663 1.852 . . . . 0.0 109.715 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.44 128.85 0.08 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 113.844 -1.526 . . . . 0.0 108.696 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.63 -124.5 5.35 Favored Glycine 0 C--O 1.243 0.715 0 CA-C-N 114.736 -1.12 . . . . 0.0 115.177 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.422 0 CA-C-O 116.442 -2.31 . . . . 0.0 108.202 179.027 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.92 0.867 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 m120 58.3 82.77 0.13 Allowed 'General case' 0 C--N 1.289 -2.044 0 O-C-N 119.099 -2.251 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -73.68 93.55 2.09 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 126.728 2.011 . . . . 0.0 110.703 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -89.08 137.86 31.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.557 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.475 ' HB2' HG21 ' C' ' 49' ' ' ILE . 1.1 mp -70.2 -39.55 75.11 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.669 0.747 . . . . 0.0 111.856 172.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.461 ' HB ' HG23 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.4 136.07 21.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 125.195 1.398 . . . . 0.0 107.433 -178.214 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.35 147.99 34.16 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.572 165.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -160.97 155.24 23.04 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.246 0.966 . . . . 0.0 111.235 173.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -72.24 127.75 33.52 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.365 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.13 147.7 6.79 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-O 122.078 0.942 . . . . 0.0 110.079 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.91 164.89 25.26 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -179.22 3.78 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 3.5 mtt -137.14 161.03 37.25 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.65 156.46 48.52 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.816 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.7 116.14 28.74 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 177.311 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -112.33 115.81 29.35 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.02 8.58 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -169.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.7 m -114.04 14.57 18.38 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.381 -0.409 . . . . 0.0 109.919 178.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.1 p -111.99 122.49 47.92 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 97.2 t -76.11 120.09 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -124.17 119.38 26.44 Favored Pre-proline 0 C--O 1.245 0.856 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -173.331 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.92 134.8 59.01 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 117.946 -0.903 . . . . 0.0 111.873 173.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.74 132.21 34.18 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -11.23 59.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -172.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -67.08 144.36 56.15 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 125.56 26.74 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . 0.437 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.33 171.18 21.6 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.19 1.439 . . . . 0.0 115.389 -179.098 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 74.4 mt -128.35 124.43 36.39 Favored 'General case' 0 N--CA 1.423 -1.796 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 175.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 25.9 t -90.98 137.58 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 164.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -151.96 157.74 42.18 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.983 0.897 . . . . 0.0 113.007 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.742 HG23 ' CD1' ' C' ' 127' ' ' TYR . 5.8 tp -118.74 131.04 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 113.591 -1.64 . . . . 0.0 108.36 174.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -134.02 137.61 44.84 Favored 'General case' 0 CA--C 1.492 -1.251 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -100.2 122.13 42.53 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 170.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 36.0 p -84.04 171.12 13.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.295 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.61 -10.4 59.71 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.606 -0.837 . . . . 0.0 113.149 -170.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.69 7.42 14.91 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.028 170.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.82 -1.15 3.15 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.496 1.518 . . . . 0.0 114.704 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mp -102.23 129.07 54.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.122 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.7 m170 -117.58 125.32 50.59 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' C' ' 59' ' ' PHE . 0.0 OUTLIER -98.8 119.04 36.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 171.295 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 56.2 m -127.75 156.84 41.8 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.48 128.21 40.78 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 113.547 -1.66 . . . . 0.0 108.711 169.32 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -120.66 134.43 55.28 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.741 -176.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -74.32 115.34 13.72 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -64.1 -32.28 73.78 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -176.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.59 -46.14 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -175.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -20.45 21.79 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.578 -176.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.67 60.83 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 119.709 -0.495 . . . . 0.0 113.771 -171.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -72.62 130.02 39.62 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.653 1.226 . . . . 0.0 113.122 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.12 109.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -94.42 -28.9 15.25 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.965 -171.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -122.03 135.55 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.864 0.84 . . . . 0.0 109.417 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -155.0 103.34 2.39 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.05 123.28 45.26 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 114.304 -1.316 . . . . 0.0 109.264 -174.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 pp -75.86 124.3 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.432 1.111 . . . . 0.0 111.742 168.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 18.0 mm -122.96 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.602 -174.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -101.27 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.625 0 O-C-N 124.424 1.078 . . . . 0.0 110.902 173.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.28 133.88 58.08 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.319 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.54 6.79 5.89 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -175.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -33.63 71.62 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.975 0.807 . . . . 0.0 109.574 176.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 14.3 p -154.9 168.22 27.67 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.5 -1.28 . . . . 0.0 113.639 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -133.47 139.33 46.62 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.018 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -106.79 124.2 49.27 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -148.56 156.4 42.38 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -67.64 142.79 56.29 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.444 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 96.9 t -94.23 98.35 2.86 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 171.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -61.0 -31.96 91.85 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 N-CA-C 117.791 2.189 . . . . 0.0 117.791 -167.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -91.1 8.59 34.82 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.207 -164.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 58.4 m -85.09 119.68 72.74 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.93 -19.89 34.05 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.427 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 88.1 p -65.49 -34.66 78.8 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.421 0.555 . . . . 0.0 110.06 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.41 13.09 64.74 Favored Glycine 0 CA--C 1.506 -0.529 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.558 -172.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -121.05 17.2 11.67 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -97.1 133.43 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -125.08 151.87 45.09 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 125.634 1.834 . . . . 0.0 110.375 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 9.7 p -127.03 135.31 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' C' ' 96' ' ' LEU . 0.6 OUTLIER -95.44 108.15 20.34 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.107 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -109.26 125.16 51.99 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -171.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -84.81 115.64 22.84 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.146 0.904 . . . . 0.0 109.17 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . 0.478 ' HB2' ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -63.38 -25.16 68.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.412 -169.633 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.25 115.19 28.93 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 173.619 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 102' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 23.4 m -91.39 9.04 33.34 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.034 -0.686 . . . . 0.0 110.525 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -70.76 129.15 38.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 117.943 -1.503 . . . . 0.0 110.596 -164.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.01 141.69 46.25 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.968 175.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 81.6 mt -124.53 126.17 45.41 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 171.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -100.8 143.74 30.59 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 124.794 1.309 . . . . 0.0 110.23 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -137.09 156.7 48.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.519 -1.218 . . . . 0.0 109.281 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -131.46 126.64 35.55 Favored 'General case' 0 N--CA 1.419 -2.008 0 C-N-CA 119.573 -0.851 . . . . 0.0 110.434 174.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.73 137.76 58.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.224 -174.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.83 3.91 11.55 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.225 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.34 135.96 93.97 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.177 1.465 . . . . 0.0 108.637 173.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.25 -41.41 42.49 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.11 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 121.149 0.499 . . . . 0.0 110.49 173.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.0 t -83.38 -9.3 59.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.199 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -53.57 -33.84 56.2 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.16 5.76 37.97 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -174.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -56.85 -48.83 77.17 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.348 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.17 70.45 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 110.559 -173.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.29 -44.06 80.2 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.947 0.404 . . . . 0.0 110.932 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -55.64 -45.81 77.54 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.981 -1.074 . . . . 0.0 112.286 173.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . 0.923 ' O ' HG23 ' C' ' 124' ' ' VAL . 54.0 t -60.63 -43.18 97.82 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.637 0.732 . . . . 0.0 110.264 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -43.47 98.78 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.092 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -64.15 -42.38 96.8 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . 1.04 ' HA ' ' CE1' ' C' ' 127' ' ' TYR . 17.0 m -52.24 -51.97 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.401 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . 0.422 ' N ' HG22 ' C' ' 124' ' ' VAL . 4.5 m-20 -60.3 -39.53 87.3 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -65.27 -46.04 82.08 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.437 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . 1.04 ' CE1' ' HA ' ' C' ' 124' ' ' VAL . 0.5 OUTLIER -79.07 -24.42 43.53 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.423 -0.911 . . . . 0.0 112.3 -174.523 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.549 ' N ' ' CD2' ' C' ' 127' ' ' TYR . 3.8 mt -79.04 -36.1 41.59 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.811 -0.755 . . . . 0.0 112.245 174.507 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -110.77 -11.17 14.42 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -168.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -141.17 71.93 27.35 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 169.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -46.18 165.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 121.564 1.509 . . . . 0.0 111.609 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 C--N 1.289 -2.558 0 C-N-CA 122.632 2.221 . . . . 0.0 111.559 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 mtm . . . . . 0 CA--C 1.55 0.957 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -91.14 138.23 31.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 126.857 2.598 . . . . 0.0 108.837 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.23 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.41 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 173.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -115.98 140.13 49.57 Favored 'General case' 0 N--CA 1.512 2.649 1 O-C-N 130.565 4.916 . . . . 0.0 108.757 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.99 114.22 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-O 113.396 -3.192 . . . . 0.0 105.633 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.26 127.61 41.45 Favored 'General case' 0 N--CA 1.506 2.344 1 O-C-N 129.351 4.157 . . . . 0.0 107.868 -178.066 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.28 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.4 -7.05 50.05 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 124.121 0.888 . . . . 0.0 112.663 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -101.53 15.11 29.92 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.568 -2.453 . . . . 0.0 112.023 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.72 80.14 Favored Glycine 0 C--N 1.298 -1.572 0 O-C-N 120.204 -1.56 . . . . 0.0 116.08 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 138.15 34.53 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 175.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.92 131.75 55.31 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 126.63 2.456 . . . . 0.0 105.857 176.399 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.3 tt -109.7 141.92 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 127.692 3.12 . . . . 0.0 108.822 179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.35 139.64 36.74 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.216 -1.793 . . . . 0.0 108.228 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 mp -126.44 154.06 44.19 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 115.388 -2.244 . . . . 0.0 108.34 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -111.83 121.02 43.91 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.29 4.119 . . . . 0.0 103.673 173.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.3 t -138.92 170.57 16.07 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 O-C-N 127.528 3.017 . . . . 0.0 111.213 -177.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -119.92 144.41 37.37 Favored Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 112.383 -2.19 . . . . 0.0 106.401 174.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -54.95 -24.38 39.13 Favored 'Trans proline' 0 C--N 1.321 -0.913 0 C-N-CA 122.49 2.126 . . . . 0.0 111.914 177.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m -79.97 -8.19 59.21 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.842 -177.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.96 148.43 47.7 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 117.498 -1.681 . . . . 0.0 109.838 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -83.73 160.52 21.26 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.51 -37.02 76.85 Favored 'Isoleucine or valine' 0 C--O 1.246 0.9 0 O-C-N 127.206 2.816 . . . . 0.0 110.257 175.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -40.08 78.43 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.324 -0.86 . . . . 0.0 110.723 177.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.35 -41.94 79.95 Favored 'General case' 0 C--O 1.261 1.663 0 O-C-N 121.841 -0.537 . . . . 0.0 110.969 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.18 -46.48 88.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.529 1.143 . . . . 0.0 109.192 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -60.82 -37.9 83.57 Favored 'General case' 0 C--O 1.258 1.507 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.746 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.1 87.31 Favored 'General case' 0 C--O 1.278 2.555 0 CA-C-N 118.073 0.397 . . . . 0.0 111.165 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -64.14 -37.56 87.91 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 120.43 -1.419 . . . . 0.0 110.716 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.3 mt -69.91 -39.44 77.58 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -62.2 -48.77 78.57 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 125.547 2.594 . . . . 0.0 109.052 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -41.66 65.62 Favored 'General case' 0 C--O 1.253 1.244 0 CA-C-N 113.404 -1.726 . . . . 0.0 111.988 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 13.0 tptm -93.7 -24.31 17.9 Favored 'General case' 0 C--O 1.281 2.712 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -175.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -123.33 -6.49 8.22 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 123.166 2.712 . . . . 0.0 114.251 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.67 89.94 Favored Glycine 0 CA--C 1.478 -2.227 0 N-CA-C 118.896 2.318 . . . . 0.0 118.896 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 64.3 mt -79.82 124.73 83.2 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.886 179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 80.6 Cg_exo -56.99 136.9 79.47 Favored 'Trans proline' 0 C--O 1.257 1.453 0 C-N-CA 123.301 2.667 . . . . 0.0 110.767 178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -57.22 -31.95 92.15 Favored 'Trans proline' 0 C--O 1.263 1.755 0 O-C-N 123.067 1.035 . . . . 0.0 113.634 -179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -68.47 -15.29 63.49 Favored 'General case' 0 C--O 1.264 1.833 0 O-C-N 119.841 -1.787 . . . . 0.0 112.208 -177.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -95.99 -10.33 28.86 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.582 -1.324 . . . . 0.0 112.048 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -84.89 129.65 34.78 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 124.441 2.067 . . . . 0.0 115.75 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.02 116.12 24.45 Favored 'General case' 0 C--O 1.299 3.706 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 171.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -103.52 130.17 50.85 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 119.48 1.036 . . . . 0.0 109.96 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -122.16 131.88 72.21 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 O-C-N 125.239 1.587 . . . . 0.0 111.885 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -144.31 129.56 18.75 Favored 'General case' 0 C--N 1.36 1.047 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 46.02 19.75 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.208 -2.269 . . . . 0.0 110.842 177.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.69 60.96 Favored Glycine 0 N--CA 1.432 -1.607 0 C-N-CA 128.581 2.991 . . . . 0.0 117.489 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -115.01 142.91 45.99 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.93 130.3 34.58 Favored 'General case' 0 C--O 1.258 1.519 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 174.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.56 138.08 37.37 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 117.703 -1.141 . . . . 0.0 110.18 -175.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -101.66 140.17 36.31 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 125.028 1.455 . . . . 0.0 109.988 -177.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -42.45 28.88 Favored 'General case' 0 C--O 1.263 1.814 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -175.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 -8.9 85.44 Favored Glycine 0 CA--C 1.488 -1.606 0 N-CA-C 116.184 1.234 . . . . 0.0 116.184 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.41 165.36 17.27 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 119.715 -2.05 . . . . 0.0 108.028 176.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 26.6 p -104.57 164.84 11.47 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 177.021 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.56 -36.08 79.59 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -29.52 70.64 Favored 'General case' 0 C--O 1.269 2.106 0 C-N-CA 117.278 -1.769 . . . . 0.0 112.175 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -39.69 70.57 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 122.364 1.078 . . . . 0.0 110.657 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -90.81 4.8 50.7 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 117.638 -1.172 . . . . 0.0 112.966 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 58.14 45.15 18.02 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.671 2.032 . . . . 0.0 111.174 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.4 mt -88.74 116.53 30.55 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 115.156 -2.354 . . . . 0.0 106.185 175.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -103.58 169.67 8.39 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.106 2.129 . . . . 0.0 109.315 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 142.94 27.71 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 123.186 1.47 . . . . 0.0 109.149 -176.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 67.13 19.11 10.45 Favored 'General case' 0 C--O 1.254 1.316 0 N-CA-C 117.98 2.585 . . . . 0.0 117.98 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -71.14 159.55 34.47 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.16 126.74 52.3 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 118.108 -0.949 . . . . 0.0 108.859 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.4 mt -103.11 154.59 19.13 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 114.828 -2.511 . . . . 0.0 105.647 175.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -105.63 135.59 46.76 Favored 'General case' 0 C--N 1.287 -2.111 0 O-C-N 127.352 2.907 . . . . 0.0 105.838 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tt -106.83 115.8 30.82 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.457 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.8 t -108.07 139.84 28.75 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 N-CA-C 103.574 -2.751 . . . . 0.0 103.574 175.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.03 138.92 32.96 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.288 0.566 . . . . 0.0 109.828 178.275 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -139.4 -177.78 5.08 Favored 'General case' 0 C--N 1.279 -2.476 0 CA-C-O 113.183 -3.294 . . . . 0.0 105.559 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.74 97.47 0.02 OUTLIER 'General case' 0 C--N 1.291 -1.965 0 O-C-N 125.942 2.026 . . . . 0.0 109.591 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -54.98 -42.66 72.7 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 113.603 -1.635 . . . . 0.0 108.838 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.91 152.78 23.88 Favored Glycine 0 C--O 1.246 0.882 0 CA-C-N 114.629 -1.169 . . . . 0.0 115.198 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.599 0 N-CA-C 108.198 -1.961 . . . . 0.0 108.198 179.465 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.93 138.53 31.53 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 127.148 2.78 . . . . 0.0 108.788 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.21 163.14 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.25 0 CA-C-O 115.739 -2.076 . . . . 0.0 105.941 173.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -116.01 140.11 49.59 Favored 'General case' 0 N--CA 1.514 2.737 1 O-C-N 130.603 4.939 . . . . 0.0 108.65 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 33.5 t -117.87 114.12 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 113.443 -3.17 . . . . 0.0 105.789 175.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.11 127.57 41.27 Favored 'General case' 0 N--CA 1.503 2.195 1 O-C-N 129.184 4.053 . . . . 0.0 108.185 -178.145 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.3 p -99.57 170.74 8.38 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.749 -1.119 . . . . 0.0 109.328 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . 0.431 ' H ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.27 -7.03 49.76 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 124.171 0.919 . . . . 0.0 112.824 -178.28 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -101.22 14.82 30.75 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 115.661 -2.416 . . . . 0.0 111.944 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.69 80.05 Favored Glycine 0 C--N 1.296 -1.64 0 O-C-N 120.102 -1.624 . . . . 0.0 116.044 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.26 137.92 34.63 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 174.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 24.5 p -119.9 131.92 55.38 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 126.365 2.29 . . . . 0.0 106.122 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mm -109.53 141.81 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 127.795 3.184 . . . . 0.0 109.063 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -101.1 139.87 36.19 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 117.031 -1.867 . . . . 0.0 108.376 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 mp -126.57 154.0 44.48 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 115.405 -2.236 . . . . 0.0 108.421 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -111.77 121.25 44.57 Favored 'General case' 0 N--CA 1.498 1.933 1 O-C-N 129.416 4.197 . . . . 0.0 103.513 174.076 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.15 170.54 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.213 0 O-C-N 127.798 3.186 . . . . 0.0 111.198 -177.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.03 144.64 38.06 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 112.032 -2.349 . . . . 0.0 106.251 174.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.98 -24.69 40.73 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 C-N-CA 122.687 2.258 . . . . 0.0 111.52 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -8.26 59.21 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.857 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.93 148.47 47.69 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 117.28 -1.768 . . . . 0.0 109.81 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.78 160.55 21.2 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 1.361 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.48 -36.79 75.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 127.048 2.718 . . . . 0.0 110.346 175.861 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.764 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.15 -42.94 77.77 Favored 'General case' 0 C--O 1.252 1.207 0 O-C-N 120.393 -1.442 . . . . 0.0 110.974 176.308 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -64.42 -44.58 90.75 Favored 'General case' 0 C--O 1.251 1.154 0 C-N-CA 124.208 1.003 . . . . 0.0 111.395 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.55 -46.31 90.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.882 1.363 . . . . 0.0 109.01 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -60.71 -37.94 83.37 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.907 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.27 -37.96 86.68 Favored 'General case' 0 C--O 1.278 2.558 0 O-C-N 123.496 0.498 . . . . 0.0 111.451 176.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -64.15 -37.33 87.08 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 120.481 -1.387 . . . . 0.0 110.78 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.77 -39.74 78.29 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -61.92 -48.88 78.45 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 125.504 2.573 . . . . 0.0 108.995 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.33 -41.8 66.09 Favored 'General case' 0 C--O 1.256 1.414 0 CA-C-N 113.69 -1.595 . . . . 0.0 111.869 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -93.36 -24.45 18.09 Favored 'General case' 0 C--O 1.28 2.662 0 N-CA-C 117.196 2.295 . . . . 0.0 117.196 -175.888 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.64 -6.28 8.06 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 122.941 2.61 . . . . 0.0 113.83 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.56 90.06 Favored Glycine 0 CA--C 1.476 -2.366 0 N-CA-C 118.803 2.281 . . . . 0.0 118.803 176.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.434 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 58.3 mt -80.04 125.05 82.58 Favored Pre-proline 0 C--O 1.241 0.65 0 C-N-CA 118.627 -1.229 . . . . 0.0 111.051 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.481 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 24.8 Cg_endo -57.0 136.99 80.03 Favored 'Trans proline' 0 C--O 1.256 1.386 0 C-N-CA 122.971 2.447 . . . . 0.0 110.853 178.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_exo -57.24 -32.22 92.99 Favored 'Trans proline' 0 C--O 1.261 1.654 0 O-C-N 123.032 1.017 . . . . 0.0 113.435 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.19 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 119.97 -1.706 . . . . 0.0 112.215 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.481 ' HB2' ' HG2' ' B' ' 37' ' ' PRO . 0.9 OUTLIER -95.58 -10.55 29.26 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.559 -1.338 . . . . 0.0 112.192 178.484 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -84.85 129.55 34.79 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 124.193 1.949 . . . . 0.0 115.775 -177.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.15 116.15 24.41 Favored 'General case' 0 C--O 1.299 3.668 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 172.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.6 130.34 51.01 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.476 1.034 . . . . 0.0 109.935 -177.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.532 HG21 ' O ' ' B' ' 68' ' ' HIS . 0.1 OUTLIER -122.07 131.58 72.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 O-C-N 125.181 1.55 . . . . 0.0 112.018 -177.574 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -144.27 129.85 19.07 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.01 19.62 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 111.9 -2.409 . . . . 0.0 110.639 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 20.2 59.55 Favored Glycine 0 C--N 1.298 -1.535 0 C-N-CA 128.363 2.887 . . . . 0.0 117.319 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -109.83 143.84 39.12 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 115.344 -2.265 . . . . 0.0 110.977 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.57 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -87.24 130.37 34.6 Favored 'General case' 0 C--N 1.28 -2.423 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 173.393 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.62 138.41 37.41 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 117.57 -1.205 . . . . 0.0 110.024 -175.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 1.361 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.7 OUTLIER -101.91 140.09 36.66 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 125.252 1.595 . . . . 0.0 109.952 -177.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.913 ' HA ' HG12 ' B' ' 23' ' ' ILE . 1.2 p30 -48.39 -41.97 30.5 Favored 'General case' 0 C--O 1.263 1.771 0 N-CA-C 120.787 3.625 . . . . 0.0 120.787 -175.751 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.18 -8.65 85.15 Favored Glycine 0 N--CA 1.476 1.342 0 N-CA-C 115.942 1.137 . . . . 0.0 115.942 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.472 ' O ' HG23 ' B' ' 23' ' ' ILE . 16.1 mmt180 -85.57 165.32 17.16 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.116 -1.814 . . . . 0.0 107.969 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 30.2 p -104.33 164.48 11.7 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 177.028 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.02 -36.46 79.59 Favored 'General case' 0 C--O 1.2 -1.518 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.6 t -63.57 -29.79 71.0 Favored 'General case' 0 C--O 1.267 2.011 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.229 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.78 -38.99 70.63 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 122.44 1.114 . . . . 0.0 110.73 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -91.07 4.53 51.9 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.632 -1.175 . . . . 0.0 112.903 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.87 45.42 18.45 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 121.68 2.036 . . . . 0.0 111.257 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.3 mt -88.71 116.15 29.88 Favored 'Isoleucine or valine' 0 C--O 1.27 2.159 0 CA-C-O 114.994 -2.431 . . . . 0.0 106.309 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.2 169.51 8.51 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 126.157 2.161 . . . . 0.0 109.67 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 142.89 28.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 123.151 1.453 . . . . 0.0 109.359 -176.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.16 19.06 10.43 Favored 'General case' 0 C--O 1.254 1.342 0 N-CA-C 117.806 2.521 . . . . 0.0 117.806 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.07 159.57 34.48 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 174.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.03 126.61 52.11 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 118.142 -0.932 . . . . 0.0 108.784 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mp -103.17 154.59 19.16 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.597 -2.62 . . . . 0.0 105.776 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . 0.532 ' O ' HG21 ' B' ' 44' ' ' ILE . 3.0 m80 -105.55 135.83 46.24 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 127.644 3.09 . . . . 0.0 105.688 178.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.14 115.78 30.78 Favored 'General case' 0 C--O 1.283 2.845 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.403 176.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.06 139.93 28.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 103.467 -2.79 . . . . 0.0 103.467 175.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.452 ' C ' ' CD2' ' B' ' 71' ' ' LEU . 2.9 tt -96.16 -83.47 0.37 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.101 0.477 . . . . 0.0 109.795 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 40.0 ttp180 163.87 -49.99 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.543 0 CA-C-O 113.415 -3.183 . . . . 0.0 105.475 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 62.99 57.24 1.68 Allowed 'General case' 0 C--N 1.293 -1.873 0 O-C-N 125.663 1.852 . . . . 0.0 109.711 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.32 117.52 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 113.761 -1.563 . . . . 0.0 108.698 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.92 154.43 22.21 Favored Glycine 0 C--O 1.244 0.737 0 CA-C-N 114.822 -1.081 . . . . 0.0 115.143 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.444 0 CA-C-O 116.595 -2.225 . . . . 0.0 108.292 179.022 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.511 -0.549 0 CA-C-O 122.027 0.918 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.29 71.82 0.4 Allowed 'General case' 0 C--N 1.29 -2.008 0 O-C-N 119.055 -2.278 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -153.72 72.58 0.92 Allowed 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 126.766 2.026 . . . . 0.0 110.623 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.612 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 mt -70.18 -39.66 75.14 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.682 0.754 . . . . 0.0 111.848 172.479 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -144.29 136.07 22.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.247 1.419 . . . . 0.0 107.461 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.3 148.06 34.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.664 -0.815 . . . . 0.0 110.625 165.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.03 155.17 22.79 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.225 0.953 . . . . 0.0 111.21 173.175 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -72.29 127.77 33.57 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.338 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.18 147.69 6.74 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.077 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.98 164.85 25.15 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.11 -179.19 3.78 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 15.0 mtt -137.13 161.09 37.09 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.7 156.58 48.34 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.067 -1.453 . . . . 0.0 108.751 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.74 116.16 28.77 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.39 115.91 29.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 106.465 -1.679 . . . . 0.0 106.465 172.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -169.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.1 p -114.01 14.55 18.42 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.383 -0.409 . . . . 0.0 109.962 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 47.4 p -111.96 122.49 47.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 34.6 m -76.16 120.0 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 66.5 p -124.07 119.31 26.57 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.17 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.8 59.06 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 117.91 -0.927 . . . . 0.0 111.946 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 172.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.26 59.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -67.04 144.37 56.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -173.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 125.59 26.86 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 171.676 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . 0.437 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.37 171.26 21.58 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.189 1.438 . . . . 0.0 115.372 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.42 124.33 35.99 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.9 t -90.85 137.5 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.122 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 164.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 11.3 p90 -151.97 157.85 42.31 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.074 0.94 . . . . 0.0 112.97 175.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' C' ' 59' ' ' PHE . 3.4 mm -118.84 131.07 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.347 174.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -134.09 137.65 44.75 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -100.16 122.01 42.33 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 18.6 p -84.05 171.12 13.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.272 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.5 -10.47 59.81 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.622 -0.831 . . . . 0.0 113.191 -170.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.69 7.47 14.77 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.044 170.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m 73.8 -1.26 3.12 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.464 1.505 . . . . 0.0 114.703 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.87 149.89 39.39 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 122.186 0.994 . . . . 0.0 113.095 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 2.7 mp -102.21 129.03 54.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.5 OUTLIER -117.51 125.38 50.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -176.579 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . 0.433 ' HA ' HD12 ' C' ' 49' ' ' ILE . 1.7 m-85 -98.87 119.04 36.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 171.265 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -127.75 156.76 41.92 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -171.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.47 128.35 41.06 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.485 -1.689 . . . . 0.0 108.646 169.273 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -120.7 134.36 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.753 -176.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.22 115.31 13.58 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 173.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -32.42 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 71.0 p -72.5 -46.16 56.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -175.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 93.5 p -91.42 -20.51 21.71 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.555 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.75 60.84 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.713 -0.493 . . . . 0.0 113.77 -171.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -72.54 130.02 39.66 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.624 1.212 . . . . 0.0 113.144 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.17 109.05 17.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.47 -28.77 15.29 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.047 -171.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.03 135.63 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.782 0.801 . . . . 0.0 109.383 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.08 103.33 2.38 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.06 123.25 45.19 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.253 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.91 124.3 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-O 122.392 1.091 . . . . 0.0 111.717 168.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' C' ' 59' ' ' PHE . 1.9 pp -122.96 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.602 -174.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -101.24 158.99 30.75 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.434 1.084 . . . . 0.0 110.87 173.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.32 133.85 58.05 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.931 2.421 . . . . 0.0 111.289 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.58 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.45 -33.54 71.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 119.038 0.835 . . . . 0.0 109.638 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 31.1 p -154.97 168.18 27.84 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.446 -1.302 . . . . 0.0 113.593 -173.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . 0.459 ' N ' HE21 ' B' ' 49' ' ' GLN . 10.8 tt0 -133.36 139.29 46.73 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.426 -1.716 . . . . 0.0 107.024 -178.116 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.69 124.19 49.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -148.51 156.48 42.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -67.77 142.85 56.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.426 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . 0.455 ' HB ' HG11 ' C' ' 93' ' ' VAL . 3.0 t -94.29 98.37 2.9 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.07 -31.89 91.28 Favored 'Trans proline' 0 C--N 1.329 -0.479 0 N-CA-C 117.834 2.206 . . . . 0.0 117.834 -167.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -91.08 8.6 34.71 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.011 -1.476 . . . . 0.0 112.145 -164.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . 0.543 ' HB3' HG12 ' C' ' 93' ' ' VAL . 12.6 t -85.09 119.62 72.67 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.96 -19.86 34.09 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.488 -173.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 56.3 m -65.52 -34.63 78.71 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.351 0.523 . . . . 0.0 110.047 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 12.99 64.73 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.587 -172.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -120.97 17.1 11.74 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . 0.543 HG12 ' HB3' ' C' ' 88' ' ' CYS . 2.5 p -97.08 133.5 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -125.1 151.79 45.23 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 125.46 1.725 . . . . 0.0 110.404 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.03 135.32 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tt -95.41 108.09 20.27 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 169.026 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.19 125.17 51.94 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -171.102 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -84.88 115.66 22.89 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.154 0.909 . . . . 0.0 109.214 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -25.21 68.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.355 -169.577 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.26 115.17 28.88 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.93 172.39 27.68 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -172.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.37 9.03 33.3 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 122.037 -0.684 . . . . 0.0 110.549 179.408 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.65 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.606 -165.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.74 46.18 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.958 175.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -124.5 126.17 45.43 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 171.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.84 143.59 30.82 Favored 'General case' 0 N--CA 1.442 -0.875 0 O-C-N 124.722 1.264 . . . . 0.0 110.297 -177.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -137.03 156.67 48.13 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.344 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.46 126.67 35.64 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.544 -0.863 . . . . 0.0 110.36 175.017 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.65 137.84 58.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.198 -174.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -118.91 3.97 11.5 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.276 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 135.89 93.88 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.099 1.428 . . . . 0.0 108.614 172.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.36 -41.23 42.96 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.561 -1.16 . . . . 0.0 112.447 -174.061 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -96.18 146.9 24.29 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.508 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 23.1 p -83.39 -9.4 59.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.133 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -33.88 55.9 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -103.07 5.74 38.21 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -56.89 -48.77 77.42 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 118.946 -1.102 . . . . 0.0 110.306 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -69.83 -32.14 70.4 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.597 -173.496 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -44.0 79.84 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -45.88 77.56 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.015 -1.053 . . . . 0.0 112.249 173.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . 0.808 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 10.6 t -60.63 -43.03 97.99 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.611 0.72 . . . . 0.0 110.324 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.88 -43.44 98.84 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.152 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -64.22 -42.29 96.65 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . 0.808 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 5.7 m -52.37 -51.84 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.456 175.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.37 -39.43 87.19 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -46.0 82.18 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.823 0.344 . . . . 0.0 111.51 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -79.12 -24.42 43.39 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 119.428 -0.909 . . . . 0.0 112.3 -174.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.04 -36.11 41.57 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.794 -0.763 . . . . 0.0 112.24 174.511 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . 0.496 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.0 OUTLIER -110.78 -11.09 14.42 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -168.541 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -141.18 71.88 27.33 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 169.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -79.3 168.42 20.19 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.598 1.532 . . . . 0.0 111.678 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo . . . . . 0 C--N 1.289 -2.564 0 C-N-CA 122.466 2.11 . . . . 0.0 111.559 179.898 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 mmt . . . . . 0 CA--C 1.55 0.951 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.11 138.27 31.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 126.964 2.665 . . . . 0.0 108.901 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 pt -131.27 162.99 38.29 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.38 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.99 140.24 49.45 Favored 'General case' 0 N--CA 1.513 2.678 1 O-C-N 130.624 4.952 . . . . 0.0 108.772 179.61 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-O 113.423 -3.18 . . . . 0.0 105.634 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 127.55 41.35 Favored 'General case' 0 N--CA 1.506 2.374 1 O-C-N 129.307 4.13 . . . . 0.0 107.867 -178.087 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 14.9 t -99.59 170.86 8.29 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.269 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -6.93 49.43 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.142 0.901 . . . . 0.0 112.747 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 2.8 m -101.56 15.03 30.18 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 115.68 -2.408 . . . . 0.0 111.972 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 16.9 80.09 Favored Glycine 0 C--N 1.297 -1.621 0 O-C-N 120.204 -1.56 . . . . 0.0 116.08 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.46 138.05 34.63 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 174.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 p -120.0 131.66 55.22 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 126.544 2.403 . . . . 0.0 105.965 176.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mm -109.54 141.96 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 127.65 3.094 . . . . 0.0 108.857 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 t -101.39 139.7 36.7 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.176 -1.809 . . . . 0.0 108.188 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -126.43 154.0 44.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 115.443 -2.218 . . . . 0.0 108.32 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -111.81 121.01 43.92 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.226 4.079 . . . . 0.0 103.643 173.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.1 m -138.94 170.55 16.07 Favored 'Isoleucine or valine' 0 C--O 1.255 1.345 0 O-C-N 127.51 3.006 . . . . 0.0 111.266 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -119.91 144.43 37.4 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 112.451 -2.159 . . . . 0.0 106.445 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -55.01 -24.29 39.16 Favored 'Trans proline' 0 C--N 1.321 -0.9 0 C-N-CA 122.468 2.112 . . . . 0.0 112.004 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.7 p -80.04 -8.07 59.18 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.92 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.13 148.47 47.38 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 117.297 -1.761 . . . . 0.0 109.846 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.67 160.52 21.32 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 175.76 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -61.51 -37.04 76.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.848 0 O-C-N 127.148 2.78 . . . . 0.0 110.189 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.55 -40.25 78.47 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.32 -0.862 . . . . 0.0 110.658 177.046 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.33 -41.86 80.18 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 121.837 -0.539 . . . . 0.0 110.984 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.29 -46.46 88.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 O-C-N 124.473 1.108 . . . . 0.0 109.137 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -60.74 -37.98 83.58 Favored 'General case' 0 C--O 1.26 1.63 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.7 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.08 87.23 Favored 'General case' 0 C--O 1.278 2.564 0 CA-C-N 118.144 0.429 . . . . 0.0 111.154 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -37.43 87.44 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 120.432 -1.417 . . . . 0.0 110.701 176.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.07 -39.47 77.25 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -48.71 78.73 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 125.496 2.569 . . . . 0.0 109.102 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -53.23 -41.71 65.69 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-N 113.466 -1.697 . . . . 0.0 111.935 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 16.0 ttmt -93.67 -24.19 17.97 Favored 'General case' 0 C--O 1.281 2.732 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 -175.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.48 -6.42 8.14 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.146 2.703 . . . . 0.0 114.194 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.56 90.02 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.934 2.334 . . . . 0.0 118.934 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.43 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 68.5 mt -79.85 124.76 83.14 Favored Pre-proline 0 C--O 1.244 0.764 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.936 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.9 Cg_exo -56.94 136.87 79.15 Favored 'Trans proline' 0 C--O 1.259 1.527 0 C-N-CA 123.362 2.708 . . . . 0.0 110.815 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.31 -31.83 92.04 Favored 'Trans proline' 0 C--O 1.262 1.691 0 O-C-N 122.949 0.973 . . . . 0.0 113.605 -179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -15.19 63.45 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 119.921 -1.737 . . . . 0.0 112.213 -177.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.07 -10.19 29.01 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.709 -1.245 . . . . 0.0 112.027 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -84.9 129.62 34.78 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 124.35 2.024 . . . . 0.0 115.68 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.07 116.1 24.37 Favored 'General case' 0 C--O 1.299 3.67 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 171.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -103.54 130.12 50.89 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 119.462 1.028 . . . . 0.0 109.932 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.1 mm -122.0 131.92 72.08 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 O-C-N 125.219 1.575 . . . . 0.0 111.923 -177.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -144.41 129.54 18.62 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.09 19.68 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.229 -2.26 . . . . 0.0 110.781 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.6 21.7 60.77 Favored Glycine 0 N--CA 1.432 -1.627 0 C-N-CA 128.694 3.045 . . . . 0.0 117.513 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -114.88 142.82 46.06 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -85.88 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.502 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.8 mt -79.43 138.05 37.47 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 117.581 -1.199 . . . . 0.0 110.276 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -101.72 140.12 36.44 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 125.182 1.551 . . . . 0.0 109.933 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -48.01 -42.51 28.31 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -175.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.92 85.41 Favored Glycine 0 CA--C 1.49 -1.496 0 N-CA-C 116.195 1.238 . . . . 0.0 116.195 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 165.35 17.29 Favored 'General case' 0 C--O 1.25 1.107 0 O-C-N 119.838 -1.977 . . . . 0.0 108.001 176.536 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.442 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 53.1 p -104.43 164.87 11.43 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -36.15 79.78 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 m -64.06 -29.46 70.6 Favored 'General case' 0 C--O 1.267 1.998 0 C-N-CA 117.287 -1.765 . . . . 0.0 112.255 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.52 -39.58 70.69 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 122.421 1.105 . . . . 0.0 110.703 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -90.76 4.69 50.9 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.996 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.12 45.22 17.97 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 121.584 1.993 . . . . 0.0 111.201 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -88.76 116.55 30.59 Favored 'Isoleucine or valine' 0 C--O 1.267 1.999 0 CA-C-O 115.147 -2.359 . . . . 0.0 106.194 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -103.57 169.61 8.43 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 126.028 2.08 . . . . 0.0 109.334 -176.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 142.87 27.7 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 123.193 1.473 . . . . 0.0 109.168 -176.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 67.05 19.15 10.54 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 118.027 2.602 . . . . 0.0 118.027 179.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.17 159.55 34.45 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -119.16 126.73 52.29 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.863 175.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.2 mt -103.23 154.52 19.25 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.851 -2.5 . . . . 0.0 105.631 175.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -105.57 135.66 46.57 Favored 'General case' 0 C--N 1.287 -2.112 0 O-C-N 127.3 2.875 . . . . 0.0 105.846 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.4 tp -106.95 115.75 30.72 Favored 'General case' 0 C--O 1.284 2.895 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.407 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.0 139.92 28.33 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 103.568 -2.752 . . . . 0.0 103.568 175.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.8 mt -96.1 138.83 33.14 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.247 0.546 . . . . 0.0 109.838 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.65 -169.7 2.37 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-O 113.148 -3.311 . . . . 0.0 105.605 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mt -134.0 48.48 2.34 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 125.942 2.027 . . . . 0.0 109.513 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -99.07 68.39 1.68 Allowed 'General case' 0 C--O 1.246 0.884 0 CA-C-N 113.706 -1.588 . . . . 0.0 108.91 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 127.95 137.28 4.4 Favored Glycine 0 C--O 1.246 0.868 0 CA-C-N 114.538 -1.21 . . . . 0.0 115.177 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.395 0 N-CA-C 108.313 -1.915 . . . . 0.0 108.313 179.502 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -91.02 138.44 31.6 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 127.111 2.757 . . . . 0.0 108.838 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.5 pp -131.13 163.06 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.3 0 CA-C-O 115.77 -2.062 . . . . 0.0 105.92 173.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -115.92 140.16 49.52 Favored 'General case' 0 N--CA 1.515 2.795 1 O-C-N 130.56 4.913 . . . . 0.0 108.613 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.83 114.05 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.855 175.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.19 127.69 41.44 Favored 'General case' 0 N--CA 1.503 2.177 1 O-C-N 129.164 4.04 . . . . 0.0 108.047 -178.071 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 11.1 t -99.59 170.85 8.3 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 28.3 mt -73.34 -7.04 49.92 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 124.137 0.898 . . . . 0.0 112.834 -178.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -101.24 14.9 30.52 Favored 'General case' 0 N--CA 1.505 2.296 0 C-N-CA 115.724 -2.391 . . . . 0.0 111.916 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.3 16.74 80.19 Favored Glycine 0 C--N 1.296 -1.664 0 O-C-N 120.232 -1.543 . . . . 0.0 116.117 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.28 137.8 34.82 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 174.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.79 131.91 55.46 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 126.363 2.289 . . . . 0.0 106.179 176.128 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.51 141.76 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 127.747 3.154 . . . . 0.0 109.15 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 29.3 p -101.18 139.95 36.16 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 116.931 -1.908 . . . . 0.0 108.408 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.1 mt -126.56 154.02 44.45 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 115.426 -2.226 . . . . 0.0 108.388 -179.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -111.76 121.22 44.5 Favored 'General case' 0 N--CA 1.495 1.822 1 O-C-N 129.256 4.097 . . . . 0.0 103.551 174.056 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.15 170.65 15.7 Favored 'Isoleucine or valine' 0 C--O 1.252 1.212 0 O-C-N 127.768 3.167 . . . . 0.0 111.179 -177.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.05 144.64 38.1 Favored Pre-proline 0 C--N 1.313 -0.99 0 CA-C-N 112.008 -2.36 . . . . 0.0 106.346 174.566 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.83 -24.76 39.97 Favored 'Trans proline' 0 C--N 1.317 -1.115 0 C-N-CA 122.632 2.221 . . . . 0.0 111.606 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -79.81 -8.31 59.2 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.91 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.88 148.42 47.81 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.794 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.75 160.46 21.25 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.73 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 0.424 HG12 ' HB3' ' B' ' 50' ' ' LEU . 1.9 mt -61.4 -36.8 75.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 O-C-N 126.962 2.664 . . . . 0.0 110.408 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.778 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.13 -42.95 77.73 Favored 'General case' 0 C--O 1.253 1.274 0 O-C-N 120.399 -1.438 . . . . 0.0 110.972 176.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.43 -44.53 90.91 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 124.195 0.998 . . . . 0.0 111.421 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -58.51 -46.32 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.854 1.346 . . . . 0.0 109.025 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -60.83 -37.88 83.55 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.868 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.94 86.53 Favored 'General case' 0 C--O 1.278 2.568 0 O-C-N 123.365 0.416 . . . . 0.0 111.372 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -64.0 -37.46 87.49 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 120.379 -1.451 . . . . 0.0 110.859 175.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.71 -39.7 78.37 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -48.76 78.86 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 125.566 2.603 . . . . 0.0 108.98 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -41.71 66.73 Favored 'General case' 0 C--O 1.257 1.481 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.866 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 4.8 ttmt -93.41 -24.37 18.08 Favored 'General case' 0 C--O 1.28 2.701 0 N-CA-C 117.2 2.296 . . . . 0.0 117.2 -175.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.66 -6.28 8.05 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 122.963 2.62 . . . . 0.0 113.723 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.59 90.04 Favored Glycine 0 CA--C 1.476 -2.381 0 N-CA-C 118.762 2.265 . . . . 0.0 118.762 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.431 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 86.7 mt -79.92 125.02 82.86 Favored Pre-proline 0 C--O 1.242 0.687 0 C-N-CA 118.766 -1.174 . . . . 0.0 111.044 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 83.3 Cg_exo -57.19 137.01 79.82 Favored 'Trans proline' 0 C--O 1.255 1.371 0 C-N-CA 122.987 2.458 . . . . 0.0 110.824 178.328 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -57.2 -32.12 92.6 Favored 'Trans proline' 0 C--O 1.26 1.622 0 O-C-N 123.133 1.07 . . . . 0.0 113.396 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -15.7 63.66 Favored 'General case' 0 C--O 1.264 1.855 0 O-C-N 119.899 -1.75 . . . . 0.0 112.145 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.644 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 19.2 mm-40 -95.41 -10.54 29.67 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.493 -1.379 . . . . 0.0 112.23 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -84.84 129.63 34.78 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 124.271 1.986 . . . . 0.0 115.746 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . 0.526 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 2.2 mmt180 -121.18 116.05 24.2 Favored 'General case' 0 C--O 1.3 3.719 0 N-CA-C 104.74 -2.319 . . . . 0.0 104.74 172.249 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 mt -103.49 130.33 50.84 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 119.529 1.059 . . . . 0.0 109.958 -177.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.03 131.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 O-C-N 125.164 1.54 . . . . 0.0 112.085 -177.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.992 ' O ' ' OH ' ' B' ' 59' ' ' TYR . 57.3 t80 -144.28 129.79 18.99 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.291 -2.115 . . . . 0.0 105.291 177.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.69 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 111.915 -2.402 . . . . 0.0 110.635 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.97 20.17 59.77 Favored Glycine 0 C--N 1.299 -1.526 0 C-N-CA 128.175 2.798 . . . . 0.0 117.293 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . 0.569 ' HB2' ' CZ ' ' B' ' 59' ' ' TYR . 25.1 mtt180 -109.97 143.78 39.45 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 115.412 -2.233 . . . . 0.0 110.95 174.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -87.17 130.34 34.58 Favored 'General case' 0 C--N 1.282 -2.366 0 N-CA-C 103.959 -2.608 . . . . 0.0 103.959 173.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.424 ' HB3' HG12 ' B' ' 23' ' ' ILE . 5.5 mp -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 117.507 -1.235 . . . . 0.0 110.096 -175.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.89 140.03 36.73 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.271 1.607 . . . . 0.0 109.903 -177.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.778 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.5 OUTLIER -48.19 -42.09 28.95 Favored 'General case' 0 C--O 1.263 1.765 0 N-CA-C 120.807 3.632 . . . . 0.0 120.807 -175.851 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.48 85.26 Favored Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 116.002 1.161 . . . . 0.0 116.002 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -85.64 165.24 17.17 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 120.181 -1.776 . . . . 0.0 107.966 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 43.4 p -104.24 164.43 11.73 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 177.03 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -36.46 79.52 Favored 'General case' 0 C--O 1.201 -1.49 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -29.77 70.96 Favored 'General case' 0 C--O 1.266 1.921 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.185 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -39.02 70.41 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.498 1.142 . . . . 0.0 110.809 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.992 ' OH ' ' O ' ' B' ' 45' ' ' PHE . 0.6 OUTLIER -91.09 4.44 52.14 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 117.648 -1.168 . . . . 0.0 112.931 179.147 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.11 45.22 18.0 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.644 2.02 . . . . 0.0 111.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 mt -88.68 116.27 30.06 Favored 'Isoleucine or valine' 0 C--O 1.269 2.114 0 CA-C-O 115.019 -2.419 . . . . 0.0 106.276 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 169.57 8.47 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 126.151 2.157 . . . . 0.0 109.716 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.11 143.0 28.58 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.176 1.465 . . . . 0.0 109.225 -176.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.14 19.07 10.44 Favored 'General case' 0 C--O 1.254 1.336 0 N-CA-C 117.8 2.519 . . . . 0.0 117.8 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.9 p -71.21 159.64 34.28 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.5 t -119.04 126.61 52.1 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 118.243 -0.885 . . . . 0.0 108.775 175.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 mt -103.15 154.61 19.12 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 114.685 -2.579 . . . . 0.0 105.714 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.68 135.84 46.37 Favored 'General case' 0 C--N 1.283 -2.286 0 O-C-N 127.572 3.045 . . . . 0.0 105.635 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tt -107.17 115.88 30.94 Favored 'General case' 0 C--O 1.284 2.872 0 CA-C-O 117.732 -1.128 . . . . 0.0 111.337 176.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 24.4 t -108.14 139.85 28.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 175.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.644 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.5 0.37 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.082 0.468 . . . . 0.0 109.818 178.47 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.45 ' N ' HD13 ' B' ' 71' ' ' LEU . 0.0 OUTLIER 64.55 102.66 0.04 OUTLIER 'General case' 0 C--N 1.276 -2.604 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.393 179.738 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.27 -87.57 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.821 0 O-C-N 125.729 1.893 . . . . 0.0 109.717 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -141.31 113.4 7.94 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 113.827 -1.533 . . . . 0.0 108.716 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.62 170.41 53.25 Favored Glycine 0 C--O 1.244 0.751 0 CA-C-N 114.768 -1.106 . . . . 0.0 115.145 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.476 0 CA-C-O 116.468 -2.296 . . . . 0.0 108.352 179.008 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 CA--C 1.512 -0.484 0 CA-C-O 121.92 0.866 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -158.5 -64.03 0.08 Allowed 'General case' 0 C--N 1.29 -2.007 0 O-C-N 119.127 -2.233 . . . . 0.0 110.97 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 mttm 55.65 103.6 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 126.753 2.021 . . . . 0.0 110.629 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.607 -178.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . 0.42 ' HG ' ' CD2' ' C' ' 127' ' ' TYR . 0.1 OUTLIER -70.18 -39.69 75.1 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.647 0.737 . . . . 0.0 111.8 172.485 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.472 ' HB ' HG12 ' C' ' 49' ' ' ILE . 0.5 OUTLIER -144.29 136.05 21.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.247 1.419 . . . . 0.0 107.497 -178.201 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -144.28 148.03 34.31 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.541 165.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -160.96 155.29 23.13 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.159 0.912 . . . . 0.0 111.191 173.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -72.29 127.84 33.81 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.216 -1.356 . . . . 0.0 112.313 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-O 122.112 0.958 . . . . 0.0 110.088 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.84 25.21 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -109.14 -179.21 3.78 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.6 mtt -137.13 161.08 37.1 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 25.6 m -136.74 156.54 48.39 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.038 -1.465 . . . . 0.0 108.702 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mp -92.75 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -112.34 115.82 29.36 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.22 -116.04 8.62 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -113.97 14.56 18.47 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.369 -0.415 . . . . 0.0 109.962 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 30.1 p -112.04 122.53 48.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -172.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 27.6 m -76.17 120.07 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 174.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -124.12 119.31 26.51 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.17 -173.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.82 134.83 59.57 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 117.954 -0.898 . . . . 0.0 111.885 173.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -85.79 132.22 34.16 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 172.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.25 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.3 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -67.08 144.41 56.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -68.11 125.59 26.83 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.21 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.338 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mt -128.42 124.39 36.14 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 40.1 t -91.01 137.55 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -151.94 157.82 42.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.982 0.896 . . . . 0.0 113.024 175.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.563 ' HB ' ' HD1' ' C' ' 127' ' ' TYR . 0.5 OUTLIER -118.83 131.09 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 113.58 -1.645 . . . . 0.0 108.363 174.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.58 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . 0.519 ' CB ' ' OH ' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -100.16 122.08 42.43 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.305 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -84.11 171.1 13.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.237 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -10.53 59.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.306 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.69 7.53 14.61 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.031 171.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.78 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.428 1.491 . . . . 0.0 114.808 -177.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 61.4 mt -74.89 149.94 39.33 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 122.201 1.001 . . . . 0.0 113.008 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mt -102.26 129.11 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.143 -177.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.0 m170 -117.62 125.32 50.55 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . 0.468 ' CD1' HG22 ' C' ' 49' ' ' ILE . 3.4 m-85 -98.78 118.96 36.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 171.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -127.63 156.82 41.7 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -171.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -130.51 128.37 41.05 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.622 169.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 134.31 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.775 -176.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.24 115.32 13.61 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -64.01 -32.42 73.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 55.6 p -72.54 -46.15 55.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -174.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.42 -20.55 21.67 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.578 -176.658 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.66 2.72 61.22 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-O 119.708 -0.496 . . . . 0.0 113.713 -171.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -72.54 130.05 39.73 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.669 1.234 . . . . 0.0 113.107 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -84.23 109.11 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -94.48 -28.84 15.25 Favored 'General case' 0 C--O 1.206 -1.222 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.999 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.96 135.54 54.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.849 0.833 . . . . 0.0 109.436 177.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -155.05 103.32 2.38 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 104.515 -2.402 . . . . 0.0 104.515 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.04 123.25 45.23 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.285 -1.325 . . . . 0.0 109.236 -174.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.3 pp -75.86 124.31 33.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.401 1.096 . . . . 0.0 111.668 168.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 3.9 mm -122.98 130.32 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.607 -174.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -101.25 159.06 30.56 Favored Pre-proline 0 C--O 1.24 0.595 0 O-C-N 124.489 1.118 . . . . 0.0 110.899 173.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.36 133.95 58.66 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.916 2.411 . . . . 0.0 111.259 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.78 5.88 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 -175.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.4 -33.62 71.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 119.038 0.835 . . . . 0.0 109.647 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 168.22 27.67 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.442 -1.303 . . . . 0.0 113.605 -173.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -133.47 139.31 46.6 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.519 -1.673 . . . . 0.0 106.992 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -106.71 124.16 49.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -148.5 156.5 42.54 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 142.86 56.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.379 177.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -94.28 98.27 2.83 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -60.99 -32.0 91.91 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.786 2.187 . . . . 0.0 117.786 -167.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.1 8.65 34.48 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.931 -1.508 . . . . 0.0 112.225 -164.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 25.2 p -85.08 119.72 72.78 Favored Pre-proline 0 CA--C 1.515 -0.381 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -57.0 -19.81 34.16 Favored 'Trans proline' 0 C--N 1.346 0.443 0 O-C-N 122.982 0.991 . . . . 0.0 114.42 -173.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 88.5 p -65.59 -34.63 78.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.369 0.532 . . . . 0.0 110.036 178.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.58 12.92 64.88 Favored Glycine 0 CA--C 1.506 -0.511 0 O-C-N 123.989 0.806 . . . . 0.0 111.492 -172.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -120.93 17.1 11.77 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 31.8 t -97.01 133.41 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.152 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -125.0 151.79 45.08 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.479 1.737 . . . . 0.0 110.428 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.0 p -127.02 135.44 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -95.58 108.12 20.36 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 169.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 125.23 52.02 Favored 'General case' 0 CA--C 1.486 -1.509 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -171.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -84.84 115.72 22.9 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.142 0.901 . . . . 0.0 109.205 176.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -25.18 68.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.353 -169.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.27 115.23 28.98 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 173.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . 0.526 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.85 172.42 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -91.39 9.0 33.51 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.069 -0.665 . . . . 0.0 110.561 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -70.59 129.15 38.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.588 -165.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.02 141.86 46.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.919 175.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mp -124.62 126.2 45.38 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 171.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.92 143.65 30.82 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.698 1.249 . . . . 0.0 110.316 -177.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -137.04 156.72 48.06 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.297 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -131.44 126.57 35.4 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.413 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 2.5 mmt -62.65 137.81 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.306 -174.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -118.91 4.05 11.49 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.627 -1.169 . . . . 0.0 110.258 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.3 135.87 93.87 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.118 1.437 . . . . 0.0 108.671 172.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.31 -41.31 42.74 Favored 'Trans proline' 0 C--O 1.247 0.953 0 C-N-CA 117.539 -1.174 . . . . 0.0 112.434 -174.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.12 146.94 24.24 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 121.148 0.499 . . . . 0.0 110.536 173.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.3 t -83.39 -9.31 59.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.216 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -33.81 55.9 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.17 5.79 37.99 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -174.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -56.92 -48.74 77.54 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.926 -1.11 . . . . 0.0 110.312 -177.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -32.2 70.49 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.56 -173.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -43.99 80.01 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.59 -45.87 77.33 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.952 -1.093 . . . . 0.0 112.314 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -43.05 97.98 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 121.657 0.742 . . . . 0.0 110.291 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.54 98.63 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.05 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -64.16 -42.33 96.78 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 1.8 t -52.31 -51.91 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.41 175.496 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.37 -39.48 87.41 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -46.03 82.19 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.44 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . 0.563 ' HD1' ' HB ' ' C' ' 49' ' ' ILE . 11.7 t80 -79.03 -24.56 43.56 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.436 -0.905 . . . . 0.0 112.405 -174.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.431 ' HB2' ' CE1' ' C' ' 59' ' ' PHE . 0.0 OUTLIER -78.96 -36.15 42.02 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.765 -0.774 . . . . 0.0 112.278 174.477 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.69 -11.1 14.45 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -168.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -141.17 71.8 27.44 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 169.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -82.85 170.59 12.45 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.65 1.566 . . . . 0.0 111.644 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--N 1.289 -2.589 0 C-N-CA 122.544 2.162 . . . . 0.0 111.597 179.75 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.932 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -91.1 138.23 31.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 126.841 2.588 . . . . 0.0 108.858 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.1 pp -131.31 163.01 38.26 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.387 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 173.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.96 140.16 49.53 Favored 'General case' 0 N--CA 1.513 2.676 1 O-C-N 130.557 4.911 . . . . 0.0 108.773 179.696 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -118.03 114.25 44.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-O 113.422 -3.18 . . . . 0.0 105.614 175.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.19 127.5 41.29 Favored 'General case' 0 N--CA 1.504 2.265 1 O-C-N 129.269 4.105 . . . . 0.0 107.96 -178.118 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.62 170.73 8.38 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.883 -1.056 . . . . 0.0 109.325 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -7.0 49.63 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.093 0.871 . . . . 0.0 112.653 -177.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -101.58 15.04 30.14 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.634 -2.427 . . . . 0.0 111.945 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.71 80.14 Favored Glycine 0 C--N 1.297 -1.592 0 O-C-N 120.262 -1.524 . . . . 0.0 116.057 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -96.44 138.14 34.47 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 174.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.9 p -119.98 131.66 55.24 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 126.608 2.443 . . . . 0.0 105.93 176.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 17.8 mm -109.57 141.93 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 127.637 3.086 . . . . 0.0 108.823 179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -101.31 139.64 36.71 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 117.19 -1.804 . . . . 0.0 108.237 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.38 154.09 44.05 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 115.449 -2.215 . . . . 0.0 108.29 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -111.86 121.02 43.91 Favored 'General case' 0 N--CA 1.5 2.028 1 O-C-N 129.215 4.072 . . . . 0.0 103.608 173.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -138.89 170.62 16.01 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 O-C-N 127.589 3.056 . . . . 0.0 111.297 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.402 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 3.6 mp0 -119.93 144.5 37.58 Favored Pre-proline 0 C--N 1.315 -0.931 0 CA-C-N 112.423 -2.171 . . . . 0.0 106.342 174.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 76.3 Cg_exo -54.93 -24.42 39.17 Favored 'Trans proline' 0 C--N 1.321 -0.919 0 C-N-CA 122.553 2.169 . . . . 0.0 111.979 177.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 p -79.95 -8.25 59.23 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 117.919 -1.039 . . . . 0.0 110.838 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.0 p-10 -71.0 148.45 47.62 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 117.372 -1.731 . . . . 0.0 109.86 -179.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.472 ' O ' HG12 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -83.72 160.46 21.28 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.808 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.582 ' O ' HG22 ' A' ' 26' ' ' VAL . 21.0 mm -61.39 -37.15 77.04 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 O-C-N 127.17 2.794 . . . . 0.0 110.233 175.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -40.08 78.25 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.317 -0.865 . . . . 0.0 110.813 177.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.32 -41.98 80.03 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 121.967 -0.458 . . . . 0.0 110.937 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -58.22 -46.4 88.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 O-C-N 124.345 1.028 . . . . 0.0 109.226 178.166 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 84.0 mttt -60.85 -37.95 83.85 Favored 'General case' 0 C--O 1.259 1.585 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.7 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.05 87.02 Favored 'General case' 0 C--O 1.277 2.512 0 CA-C-N 118.197 0.453 . . . . 0.0 111.13 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -37.45 87.48 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-O 123.081 1.42 . . . . 0.0 110.729 176.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.8 mt -70.01 -39.59 77.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.21 -48.73 78.71 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 125.547 2.594 . . . . 0.0 109.104 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -41.67 65.71 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.51 -1.677 . . . . 0.0 111.96 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 10.5 tttt -93.63 -24.33 17.94 Favored 'General case' 0 C--O 1.281 2.75 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 -175.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.3 -6.53 8.24 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 123.108 2.685 . . . . 0.0 114.276 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.7 89.97 Favored Glycine 0 CA--C 1.479 -2.209 0 N-CA-C 118.931 2.332 . . . . 0.0 118.931 176.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.416 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 31.3 mt -79.77 124.76 83.29 Favored Pre-proline 0 C--O 1.243 0.716 0 C-N-CA 118.876 -1.129 . . . . 0.0 110.913 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.8 Cg_exo -56.9 136.84 78.9 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.249 2.633 . . . . 0.0 110.827 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -57.1 -32.0 91.99 Favored 'Trans proline' 0 C--O 1.264 1.782 0 O-C-N 123.009 1.005 . . . . 0.0 113.649 -179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -68.46 -15.33 63.51 Favored 'General case' 0 C--O 1.261 1.692 0 O-C-N 119.806 -1.809 . . . . 0.0 112.247 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -96.11 -10.2 28.88 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.689 -1.257 . . . . 0.0 111.954 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -84.91 129.59 34.78 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 124.351 2.024 . . . . 0.0 115.767 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.05 116.17 24.53 Favored 'General case' 0 C--O 1.299 3.688 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 171.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -103.5 130.12 50.81 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 119.501 1.046 . . . . 0.0 109.968 -177.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -122.05 131.92 72.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 O-C-N 125.136 1.522 . . . . 0.0 111.797 -177.465 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -144.48 129.52 18.53 Favored 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 177.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.457 ' H ' ' HE1' ' C' ' 98' ' ' PHE . . . 48.21 46.08 19.87 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 112.28 -2.236 . . . . 0.0 110.723 177.536 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.68 21.72 60.98 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 128.653 3.025 . . . . 0.0 117.449 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 9.9 mtmt -115.05 142.76 46.21 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 177.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.79 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.527 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.48 138.05 37.43 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 117.61 -1.186 . . . . 0.0 110.204 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -101.81 140.12 36.52 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.036 1.46 . . . . 0.0 109.996 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -47.92 -42.66 27.78 Favored 'General case' 0 C--O 1.263 1.774 0 N-CA-C 120.781 3.622 . . . . 0.0 120.781 -175.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.53 -8.94 85.48 Favored Glycine 0 CA--C 1.491 -1.45 0 N-CA-C 116.204 1.242 . . . . 0.0 116.204 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -85.39 165.35 17.29 Favored 'General case' 0 C--O 1.251 1.174 0 O-C-N 119.858 -1.966 . . . . 0.0 108.017 176.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.445 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.0 p -104.49 164.81 11.49 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 176.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 26.8 mt -61.5 -36.02 79.33 Favored 'General case' 0 C--O 1.201 -1.453 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -64.31 -29.37 70.46 Favored 'General case' 0 C--O 1.267 2.013 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.12 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.55 -39.53 70.72 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.457 1.122 . . . . 0.0 110.757 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -90.77 4.63 51.1 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 117.782 -1.104 . . . . 0.0 113.044 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 m120 58.17 45.14 17.94 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 121.544 1.975 . . . . 0.0 111.193 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -88.7 116.5 30.47 Favored 'Isoleucine or valine' 0 C--O 1.267 2.021 0 CA-C-O 115.124 -2.37 . . . . 0.0 106.247 175.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.56 169.7 8.38 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 126.111 2.132 . . . . 0.0 109.359 -176.685 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.9 142.94 27.67 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.249 1.499 . . . . 0.0 109.145 -176.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.0 19.31 10.58 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 117.966 2.58 . . . . 0.0 117.966 179.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -71.25 159.58 34.37 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 174.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.13 126.73 52.3 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 118.17 -0.919 . . . . 0.0 108.849 175.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.19 154.59 19.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 114.769 -2.538 . . . . 0.0 105.686 175.114 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -105.7 135.64 46.76 Favored 'General case' 0 C--N 1.287 -2.151 0 O-C-N 127.342 2.901 . . . . 0.0 105.813 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.4 tp -106.85 115.87 30.93 Favored 'General case' 0 C--O 1.286 2.984 0 CA-C-O 117.563 -1.208 . . . . 0.0 111.396 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.12 139.91 28.55 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 103.5 -2.778 . . . . 0.0 103.5 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mp -96.1 138.96 32.97 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.205 0.526 . . . . 0.0 109.82 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -68.7 81.43 0.28 Allowed 'General case' 0 C--N 1.279 -2.497 0 CA-C-O 113.162 -3.304 . . . . 0.0 105.518 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.71 -71.95 0.04 OUTLIER 'General case' 0 C--N 1.289 -2.035 0 O-C-N 125.921 2.013 . . . . 0.0 109.642 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -38.96 62.63 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.686 -1.597 . . . . 0.0 108.876 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.5 59.89 0.34 Allowed Glycine 0 C--O 1.246 0.891 0 CA-C-N 114.631 -1.168 . . . . 0.0 115.201 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.452 0 N-CA-C 108.274 -1.93 . . . . 0.0 108.274 179.406 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -91.0 138.52 31.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 127.112 2.758 . . . . 0.0 108.72 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' B' ' 65' ' ' SER . 7.8 tt -131.21 163.0 38.25 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.323 0 CA-C-O 115.735 -2.079 . . . . 0.0 105.917 173.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.88 140.16 49.51 Favored 'General case' 0 N--CA 1.514 2.74 1 O-C-N 130.669 4.981 . . . . 0.0 108.625 179.784 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . 0.517 ' HA ' ' HG ' ' B' ' 67' ' ' LEU . 0.1 OUTLIER -117.9 114.04 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.852 175.486 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -95.11 127.59 41.28 Favored 'General case' 0 N--CA 1.503 2.188 1 O-C-N 129.228 4.08 . . . . 0.0 108.185 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p -99.51 170.88 8.3 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.78 -1.105 . . . . 0.0 109.298 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -6.97 49.64 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 124.077 0.861 . . . . 0.0 112.811 -178.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.28 14.79 30.87 Favored 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 115.652 -2.419 . . . . 0.0 111.909 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.53 16.61 80.09 Favored Glycine 0 C--N 1.295 -1.73 0 O-C-N 120.167 -1.583 . . . . 0.0 115.977 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -96.21 137.92 34.58 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -119.85 131.84 55.4 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 126.328 2.268 . . . . 0.0 106.254 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -109.51 141.8 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.726 3.141 . . . . 0.0 109.089 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.2 m -101.17 139.94 36.16 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 117.035 -1.866 . . . . 0.0 108.324 177.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.9 mt -126.57 154.06 44.4 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 115.525 -2.179 . . . . 0.0 108.384 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.84 121.13 44.21 Favored 'General case' 0 N--CA 1.495 1.776 1 O-C-N 129.172 4.045 . . . . 0.0 103.518 174.094 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.12 170.6 15.8 Favored 'Isoleucine or valine' 0 C--O 1.254 1.325 0 O-C-N 127.936 3.272 . . . . 0.0 111.217 -177.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -119.96 144.51 37.65 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 112.112 -2.313 . . . . 0.0 106.426 174.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.83 -24.66 39.5 Favored 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 122.697 2.264 . . . . 0.0 111.562 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.3 p -79.93 -8.28 59.24 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.911 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.91 148.44 47.75 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 117.287 -1.765 . . . . 0.0 109.817 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.79 160.58 21.19 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . 1.335 HG23 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.41 -36.81 75.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 126.928 2.643 . . . . 0.0 110.413 175.815 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -42.84 77.61 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 120.399 -1.438 . . . . 0.0 111.002 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -64.59 -44.5 90.42 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 124.191 0.996 . . . . 0.0 111.322 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -46.22 90.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.805 1.316 . . . . 0.0 109.046 178.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.76 -37.96 83.6 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.871 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -38.02 86.73 Favored 'General case' 0 C--O 1.277 2.536 0 O-C-N 123.319 0.387 . . . . 0.0 111.297 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -64.01 -37.46 87.51 Favored 'General case' 0 C--O 1.254 1.335 0 CA-C-O 122.97 1.366 . . . . 0.0 110.833 175.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -69.68 -39.71 78.44 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -62.02 -48.86 78.41 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 125.518 2.58 . . . . 0.0 108.959 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -41.81 66.21 Favored 'General case' 0 C--O 1.257 1.484 0 CA-C-N 113.617 -1.629 . . . . 0.0 111.862 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.0 OUTLIER -93.4 -24.35 18.1 Favored 'General case' 0 C--O 1.28 2.704 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -175.842 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -123.66 -6.38 8.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 122.927 2.603 . . . . 0.0 113.771 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.6 90.01 Favored Glycine 0 CA--C 1.477 -2.301 0 N-CA-C 118.693 2.237 . . . . 0.0 118.693 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 12.4 mm -79.8 125.15 82.83 Favored Pre-proline 0 C--O 1.243 0.731 0 C-N-CA 118.64 -1.224 . . . . 0.0 111.111 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo -57.23 137.0 79.76 Favored 'Trans proline' 0 C--O 1.256 1.393 0 C-N-CA 122.961 2.441 . . . . 0.0 110.885 178.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -57.11 -32.41 93.23 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 123.066 1.035 . . . . 0.0 113.33 -179.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -15.51 63.61 Favored 'General case' 0 C--O 1.265 1.901 0 O-C-N 120.049 -1.657 . . . . 0.0 112.271 -177.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.629 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 14.7 mt-30 -95.57 -10.57 29.21 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.483 -1.386 . . . . 0.0 112.176 178.458 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -84.84 129.59 34.79 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 124.18 1.943 . . . . 0.0 115.742 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -121.08 116.09 24.35 Favored 'General case' 0 C--O 1.298 3.641 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 172.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 mt -103.6 130.3 51.01 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.504 1.047 . . . . 0.0 109.927 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.509 ' C ' ' CD2' ' B' ' 45' ' ' PHE . 4.3 mp -122.07 131.59 72.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 O-C-N 125.149 1.531 . . . . 0.0 111.982 -177.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . 0.729 ' N ' ' CD2' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.17 129.8 19.14 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 177.453 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.9 19.64 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 111.981 -2.372 . . . . 0.0 110.66 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.01 20.09 59.79 Favored Glycine 0 C--N 1.299 -1.502 0 C-N-CA 128.151 2.786 . . . . 0.0 117.355 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.89 143.83 39.25 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 115.342 -2.266 . . . . 0.0 110.94 174.242 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.09 130.34 34.54 Favored 'General case' 0 C--N 1.28 -2.443 0 N-CA-C 103.961 -2.607 . . . . 0.0 103.961 173.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' B' ' 45' ' ' PHE . 36.0 tp -79.59 138.34 37.41 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 117.553 -1.213 . . . . 0.0 110.112 -175.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . 1.335 ' O ' HG23 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -101.82 140.02 36.67 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 125.23 1.581 . . . . 0.0 110.022 -177.697 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.915 ' HA ' HG12 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -48.3 -42.09 29.97 Favored 'General case' 0 C--O 1.261 1.71 0 N-CA-C 120.769 3.618 . . . . 0.0 120.769 -175.724 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.17 -8.48 85.39 Favored Glycine 0 CA--C 1.493 -1.319 0 N-CA-C 116.0 1.16 . . . . 0.0 116.0 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . 0.469 ' O ' HG22 ' B' ' 23' ' ' ILE . 0.9 OUTLIER -85.63 165.36 17.08 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.133 -1.804 . . . . 0.0 107.973 176.394 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.431 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 23.5 p -104.47 164.57 11.65 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 177.078 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -36.4 79.62 Favored 'General case' 0 C--O 1.201 -1.459 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -63.7 -29.66 70.86 Favored 'General case' 0 C--O 1.267 1.982 0 C-N-CA 117.321 -1.752 . . . . 0.0 112.174 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -55.76 -38.99 70.57 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 122.562 1.172 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -91.11 4.48 52.07 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 117.537 -1.221 . . . . 0.0 112.873 179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.94 45.43 18.22 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 121.758 2.072 . . . . 0.0 111.244 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 14.8 mm -88.8 116.25 30.11 Favored 'Isoleucine or valine' 0 C--O 1.27 2.157 0 CA-C-O 115.122 -2.371 . . . . 0.0 106.263 175.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.38 169.63 8.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 126.103 2.127 . . . . 0.0 109.673 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 142.87 28.42 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.102 1.429 . . . . 0.0 109.246 -176.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.05 19.17 10.54 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 117.834 2.531 . . . . 0.0 117.834 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' SER . . . . . 0.428 ' O ' ' CG1' ' B' ' 3' ' ' ILE . 1.9 t -71.2 159.66 34.25 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 174.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -119.1 126.61 52.04 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 118.21 -0.9 . . . . 0.0 108.828 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . 0.517 ' HG ' ' HA ' ' B' ' 5' ' ' VAL . 3.3 pp -103.16 154.54 19.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 114.737 -2.554 . . . . 0.0 105.702 175.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.3 m80 -105.56 135.91 46.11 Favored 'General case' 0 C--N 1.283 -2.291 0 O-C-N 127.608 3.067 . . . . 0.0 105.691 177.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -107.17 115.82 30.84 Favored 'General case' 0 C--O 1.284 2.884 0 CA-C-O 117.551 -1.214 . . . . 0.0 111.459 176.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 87.3 t -108.17 139.81 29.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.629 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -95.97 -83.51 0.37 Allowed 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.072 0.463 . . . . 0.0 109.814 178.374 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 45.1 ttp85 166.55 -78.49 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.574 0 CA-C-O 113.432 -3.175 . . . . 0.0 105.529 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.8 mp 47.69 72.02 0.29 Allowed 'General case' 0 C--N 1.293 -1.854 0 O-C-N 125.669 1.856 . . . . 0.0 109.726 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.36 -176.52 0.16 Allowed 'General case' 0 C--O 1.243 0.715 0 CA-C-N 113.882 -1.508 . . . . 0.0 108.766 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -171.34 31.96 0.13 Allowed Glycine 0 C--O 1.244 0.775 0 CA-C-N 114.824 -1.08 . . . . 0.0 115.194 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.519 0 CA-C-O 116.546 -2.252 . . . . 0.0 108.317 178.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.512 -0.504 0 CA-C-O 121.94 0.876 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 t30 58.32 82.52 0.13 Allowed 'General case' 0 C--N 1.289 -2.04 0 O-C-N 119.091 -2.256 . . . . 0.0 110.971 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.34 160.42 38.79 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 126.859 2.064 . . . . 0.0 110.708 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -89.12 137.93 31.88 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.589 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.19 -39.65 75.09 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.635 0.731 . . . . 0.0 111.8 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 t -144.36 136.02 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 107.47 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -144.26 148.08 34.4 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.557 165.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -161.03 155.22 22.87 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.243 0.964 . . . . 0.0 111.198 173.124 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.29 127.79 33.65 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.351 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.14 147.63 6.76 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.062 0.934 . . . . 0.0 110.098 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.92 164.82 25.21 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 108.301 -1.92 . . . . 0.0 108.301 175.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.08 -179.25 3.8 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' MET . . . . . 0.749 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.5 mpt? -137.12 161.02 37.26 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' SER . . . . . 0.408 ' O ' ' CG2' ' C' ' 39' ' ' THR . 0.5 OUTLIER -136.66 156.56 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.079 -1.448 . . . . 0.0 108.743 177.383 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.75 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.04 8.6 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -169.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.01 14.6 18.43 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.383 -0.409 . . . . 0.0 109.995 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 60.0 m -112.02 122.47 47.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 91.1 t -76.05 120.02 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' THR . . . . . 0.408 ' CG2' ' O ' ' C' ' 32' ' ' SER . 1.2 t -124.09 119.29 26.55 Favored Pre-proline 0 C--O 1.245 0.852 0 C-N-CA 122.522 0.329 . . . . 0.0 110.193 -173.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . 0.749 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 31.8 Cg_exo -59.84 134.76 59.06 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 CA-C-O 122.348 0.895 . . . . 0.0 111.865 173.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -85.68 132.19 34.2 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 -11.26 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -172.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.97 144.41 56.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -173.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -68.18 125.58 26.84 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 171.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . 0.438 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.24 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.173 1.429 . . . . 0.0 115.377 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 14.5 tp -128.38 124.36 36.15 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 45.5 t -90.96 137.55 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 164.619 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 19.0 p90 -151.9 157.73 42.22 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.973 0.892 . . . . 0.0 113.015 175.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.415 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 5.5 mm -118.76 131.1 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.349 174.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -134.02 137.69 44.88 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -100.2 122.01 42.35 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 57.0 p -84.03 171.12 13.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.307 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.46 -10.55 59.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -82.63 7.36 14.92 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 121.275 -0.17 . . . . 0.0 110.981 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 33.9 t 73.87 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.417 1.487 . . . . 0.0 114.808 -177.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 31.3 mt -74.96 150.02 39.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 119.172 -1.011 . . . . 0.0 113.048 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.25 129.1 54.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.145 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.415 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 7.3 m-70 -117.66 125.26 50.4 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -176.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -98.69 118.96 36.58 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 171.191 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 39.7 m -127.66 156.84 41.71 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.47 128.21 40.79 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.587 -1.642 . . . . 0.0 108.745 169.284 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.6 134.33 55.29 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.804 -176.348 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -74.18 115.27 13.48 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 173.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -63.94 -32.49 74.05 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 5.2 t -72.45 -46.17 56.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -175.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.43 -20.54 21.68 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.497 -176.629 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 2.6 60.85 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.668 -0.518 . . . . 0.0 113.677 -171.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.44 130.0 39.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.724 1.262 . . . . 0.0 113.194 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 17.6 t -84.18 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.45 -28.92 15.22 Favored 'General case' 0 C--O 1.206 -1.232 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.98 -171.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -121.95 135.54 54.87 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.778 0.799 . . . . 0.0 109.413 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.98 103.32 2.39 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 tp -118.04 123.28 45.28 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.287 -174.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.89 124.28 33.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.392 1.091 . . . . 0.0 111.715 168.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.99 130.31 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.401 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.635 -174.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . 0.427 ' O ' ' HB3' ' C' ' 79' ' ' ASP . 8.6 m-85 -101.26 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.321 1.013 . . . . 0.0 110.885 173.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.25 133.86 57.87 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.962 2.441 . . . . 0.0 111.31 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.55 6.74 5.86 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 -175.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . 0.599 ' O ' ' CD2' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -70.4 -33.63 71.6 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.975 0.807 . . . . 0.0 109.558 176.863 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 1.7 p -154.86 168.2 27.72 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.651 -173.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -133.43 139.34 46.67 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.534 -1.666 . . . . 0.0 106.998 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -106.75 124.14 49.18 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -148.5 156.47 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -67.75 142.81 56.14 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.416 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 73.6 t -94.22 98.43 2.91 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 171.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -61.12 -31.96 90.97 Favored 'Trans proline' 0 N--CA 1.476 0.478 0 N-CA-C 117.747 2.172 . . . . 0.0 117.747 -167.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -91.07 8.66 34.36 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.915 -1.514 . . . . 0.0 112.202 -164.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.14 119.63 72.64 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 174.513 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.91 -19.88 33.85 Favored 'Trans proline' 0 C--N 1.347 0.462 0 O-C-N 123.005 1.003 . . . . 0.0 114.456 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -34.66 78.79 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.378 0.535 . . . . 0.0 110.071 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.04 64.87 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.528 -172.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -120.99 17.08 11.72 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 70.1 t -97.05 133.38 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 173.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -124.97 151.79 45.03 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.463 1.727 . . . . 0.0 110.398 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 1.6 m -127.02 135.44 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 tt -95.47 108.08 20.28 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 169.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.17 125.16 51.91 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -171.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.777 ' CD1' ' O ' ' C' ' 100' ' ' ALA . 11.8 t80 -84.85 115.66 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.154 0.909 . . . . 0.0 109.209 176.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -63.43 -25.07 68.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.432 -169.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . 0.777 ' O ' ' CD1' ' C' ' 98' ' ' PHE . . . -111.33 115.13 28.78 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.92 172.39 27.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -91.38 9.08 33.13 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.026 -0.69 . . . . 0.0 110.551 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -70.66 129.17 38.47 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 117.935 -1.506 . . . . 0.0 110.56 -165.046 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.73 46.17 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.938 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -124.5 126.21 45.49 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . 0.439 ' C ' ' SD ' ' C' ' 31' ' ' MET . 2.2 m-85 -100.94 143.68 30.79 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 124.698 1.249 . . . . 0.0 110.281 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -137.09 156.68 48.08 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.27 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.48 126.53 35.24 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.408 175.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.6 137.74 58.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.272 -174.705 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -118.89 3.99 11.51 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.256 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.19 135.87 93.69 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.117 1.436 . . . . 0.0 108.703 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.32 -41.34 42.48 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.561 -1.16 . . . . 0.0 112.44 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.11 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.647 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.7 t -83.39 -9.31 59.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.216 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -33.81 55.9 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -103.24 5.82 37.8 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -174.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -56.8 -48.86 76.99 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.309 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -32.27 70.71 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.556 -173.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -44.08 80.3 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 175.468 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -55.58 -45.88 77.31 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.025 -1.047 . . . . 0.0 112.355 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -43.04 97.8 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.677 0.751 . . . . 0.0 110.352 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -43.44 98.84 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.086 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -64.23 -42.37 96.59 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 40.9 t -52.23 -51.9 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.452 175.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 22.7 m-20 -60.41 -39.5 87.62 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -46.1 81.94 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.437 -178.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -78.95 -24.45 43.91 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.495 -0.882 . . . . 0.0 112.44 -174.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.496 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.0 -36.18 41.67 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 119.796 -0.761 . . . . 0.0 112.243 174.429 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . 0.496 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 38.1 t30 -110.71 -11.12 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -168.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -141.23 71.92 27.1 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 169.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -78.98 167.88 21.44 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.677 1.585 . . . . 0.0 111.631 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 C--N 1.291 -2.489 0 C-N-CA 122.498 2.132 . . . . 0.0 111.608 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.7 mmt . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -91.12 138.22 31.77 Favored 'General case' 0 C--O 1.264 1.846 0 O-C-N 126.775 2.547 . . . . 0.0 108.865 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -131.25 163.05 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.361 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.98 140.22 49.47 Favored 'General case' 0 N--CA 1.513 2.697 1 O-C-N 130.564 4.915 . . . . 0.0 108.75 179.688 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -118.09 114.21 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-O 113.35 -3.214 . . . . 0.0 105.61 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -95.11 127.55 41.26 Favored 'General case' 0 N--CA 1.506 2.369 1 O-C-N 129.408 4.192 . . . . 0.0 107.906 -178.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -99.61 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.369 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.31 -7.04 49.87 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 124.144 0.902 . . . . 0.0 112.701 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -101.54 15.05 30.1 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.654 -2.418 . . . . 0.0 111.998 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 16.81 80.16 Favored Glycine 0 C--N 1.296 -1.647 0 O-C-N 120.35 -1.469 . . . . 0.0 116.081 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 138.1 34.6 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 174.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.99 131.58 55.2 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 126.652 2.47 . . . . 0.0 105.907 176.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.5 142.03 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 127.653 3.096 . . . . 0.0 108.911 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.2 p -101.41 139.74 36.66 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 117.157 -1.817 . . . . 0.0 108.188 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.49 154.03 44.32 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 115.408 -2.234 . . . . 0.0 108.245 -179.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -111.82 120.97 43.76 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.28 4.112 . . . . 0.0 103.781 173.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.9 170.69 15.91 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 O-C-N 127.634 3.083 . . . . 0.0 111.111 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 19' ' ' PRO . 0.6 OUTLIER -119.98 144.43 37.51 Favored Pre-proline 0 C--N 1.314 -0.944 0 CA-C-N 112.317 -2.22 . . . . 0.0 106.328 174.717 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 18' ' ' GLU . 54.8 Cg_exo -55.0 -24.28 39.0 Favored 'Trans proline' 0 C--N 1.32 -0.974 0 C-N-CA 122.537 2.158 . . . . 0.0 111.973 177.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -80.04 -8.17 59.23 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.925 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.09 148.5 47.42 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 117.392 -1.723 . . . . 0.0 109.722 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.73 160.48 21.27 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.81 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 1.27 HG23 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.43 -37.13 77.02 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 O-C-N 127.172 2.795 . . . . 0.0 110.272 175.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -40.19 78.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.363 -0.835 . . . . 0.0 110.706 177.005 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.29 -41.92 80.24 Favored 'General case' 0 C--O 1.262 1.762 0 O-C-N 121.809 -0.557 . . . . 0.0 110.949 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.27 -46.39 88.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 O-C-N 124.425 1.078 . . . . 0.0 109.173 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.818 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 19.4 mtmt -60.92 -37.96 84.11 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 118.806 -0.616 . . . . 0.0 110.577 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.598 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.08 -38.17 87.61 Favored 'General case' 0 C--O 1.276 2.499 0 CA-C-N 118.227 0.467 . . . . 0.0 111.125 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -37.48 87.58 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 120.438 -1.414 . . . . 0.0 110.676 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.6 mm -69.96 -39.56 77.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.13 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 1.193 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -62.25 -48.68 78.86 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 125.498 2.57 . . . . 0.0 109.101 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -41.78 65.92 Favored 'General case' 0 C--O 1.254 1.302 0 CA-C-N 113.491 -1.686 . . . . 0.0 111.891 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -93.59 -24.21 18.02 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 -175.803 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -123.47 -6.41 8.15 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 123.147 2.703 . . . . 0.0 114.241 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.7 89.97 Favored Glycine 0 CA--C 1.478 -2.27 0 N-CA-C 118.899 2.32 . . . . 0.0 118.899 176.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 1.193 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 16.8 mm -79.78 124.76 83.27 Favored Pre-proline 0 C--O 1.244 0.807 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.97 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.8 Cg_exo -56.94 136.84 79.0 Favored 'Trans proline' 0 C--O 1.258 1.513 0 C-N-CA 123.287 2.658 . . . . 0.0 110.863 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.779 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 27.2 Cg_exo -57.13 -31.94 91.91 Favored 'Trans proline' 0 C--O 1.262 1.724 0 O-C-N 122.993 0.996 . . . . 0.0 113.676 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.53 -15.29 63.49 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 119.959 -1.713 . . . . 0.0 112.226 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.93 -10.37 28.89 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.674 -1.266 . . . . 0.0 112.059 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -84.81 129.55 34.8 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 124.378 2.037 . . . . 0.0 115.711 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -120.97 116.1 24.44 Favored 'General case' 0 C--O 1.3 3.717 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 171.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.51 130.2 50.85 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 119.496 1.043 . . . . 0.0 109.908 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.61 ' O ' HG13 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -122.04 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 O-C-N 125.199 1.562 . . . . 0.0 111.861 -177.532 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 9.8 t80 -144.43 129.62 18.68 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.06 19.51 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 112.2 -2.273 . . . . 0.0 110.778 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.66 61.0 Favored Glycine 0 N--CA 1.432 -1.591 0 C-N-CA 128.596 2.998 . . . . 0.0 117.462 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -115.02 142.76 46.19 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.78 130.35 34.58 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 103.771 -2.677 . . . . 0.0 103.771 174.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.63 138.13 37.32 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.118 -175.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 1.27 ' O ' HG23 ' A' ' 23' ' ' ILE . 33.9 mm-40 -101.77 140.08 36.53 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 125.158 1.536 . . . . 0.0 110.017 -177.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.702 ' HA ' ' CG1' ' A' ' 23' ' ' ILE . 0.0 OUTLIER -47.93 -42.57 27.6 Favored 'General case' 0 C--O 1.264 1.831 0 N-CA-C 120.792 3.627 . . . . 0.0 120.792 -175.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.55 -8.92 85.48 Favored Glycine 0 CA--C 1.489 -1.56 0 N-CA-C 116.272 1.269 . . . . 0.0 116.272 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.455 ' O ' HG22 ' A' ' 23' ' ' ILE . 2.6 mmt85 -85.45 165.34 17.25 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 119.817 -1.99 . . . . 0.0 108.08 176.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.45 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -104.5 164.84 11.46 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 177.093 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.61 -36.01 79.51 Favored 'General case' 0 C--O 1.202 -1.396 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 177.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -29.52 70.66 Favored 'General case' 0 C--O 1.268 2.055 0 C-N-CA 117.375 -1.73 . . . . 0.0 112.225 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.6 -39.46 70.78 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 122.42 1.105 . . . . 0.0 110.686 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 60' ' ' ASN . 34.1 m-85 -90.84 4.65 51.2 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 117.662 -1.161 . . . . 0.0 112.939 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.531 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 11.8 p30 58.18 45.06 18.04 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 121.701 2.046 . . . . 0.0 111.226 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -88.61 116.52 30.47 Favored 'Isoleucine or valine' 0 C--O 1.266 1.925 0 CA-C-O 115.221 -2.323 . . . . 0.0 106.178 175.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -103.59 169.66 8.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 126.012 2.07 . . . . 0.0 109.318 -176.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -54.87 142.89 27.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 123.259 1.504 . . . . 0.0 109.018 -176.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 67.06 19.21 10.52 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 179.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.7 p -71.18 159.5 34.55 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 174.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.13 126.76 52.38 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 118.209 -0.901 . . . . 0.0 108.865 175.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 mt -103.19 154.57 19.19 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 114.771 -2.538 . . . . 0.0 105.598 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -105.7 135.58 46.87 Favored 'General case' 0 C--N 1.287 -2.149 0 O-C-N 127.418 2.949 . . . . 0.0 105.815 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -106.8 115.81 30.84 Favored 'General case' 0 C--O 1.285 2.963 0 CA-C-O 117.64 -1.172 . . . . 0.0 111.518 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.5 p -108.01 139.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 N-CA-C 103.58 -2.748 . . . . 0.0 103.58 175.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 71' ' ' LEU . 1.2 mm? -96.08 138.98 32.92 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.184 0.516 . . . . 0.0 109.86 178.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -48.29 78.88 Favored 'General case' 0 C--N 1.278 -2.538 0 CA-C-O 113.167 -3.302 . . . . 0.0 105.585 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.43 120.03 19.43 Favored 'General case' 0 C--N 1.29 -1.99 0 O-C-N 125.842 1.964 . . . . 0.0 109.66 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -108.61 122.31 46.82 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 113.609 -1.632 . . . . 0.0 108.797 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.75 79.16 0.19 Allowed Glycine 0 C--O 1.247 0.907 0 CA-C-N 114.562 -1.199 . . . . 0.0 115.181 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 N-CA-C 108.239 -1.944 . . . . 0.0 108.239 179.398 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.946 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -90.88 138.47 31.57 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 127.192 2.808 . . . . 0.0 108.774 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.09 163.09 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 CA-C-O 115.757 -2.068 . . . . 0.0 105.936 173.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 19.5 m-30 -116.06 140.19 49.52 Favored 'General case' 0 N--CA 1.514 2.767 1 O-C-N 130.609 4.943 . . . . 0.0 108.564 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 55.3 t -117.91 114.13 44.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-O 113.337 -3.22 . . . . 0.0 105.786 175.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.12 127.56 41.27 Favored 'General case' 0 N--CA 1.502 2.157 1 O-C-N 129.241 4.088 . . . . 0.0 108.176 -178.106 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.8 m -99.59 170.81 8.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.779 -1.105 . . . . 0.0 109.286 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.33 -6.97 49.56 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 124.159 0.912 . . . . 0.0 112.888 -178.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.22 14.82 30.76 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 115.652 -2.419 . . . . 0.0 112.038 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.73 80.07 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 120.285 -1.509 . . . . 0.0 116.045 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 137.87 34.76 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 174.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -119.9 131.87 55.37 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 126.423 2.327 . . . . 0.0 106.167 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -109.47 141.85 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 127.827 3.204 . . . . 0.0 109.14 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.9 t -101.23 139.89 36.29 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 117.017 -1.873 . . . . 0.0 108.364 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.5 mt -126.45 154.11 44.14 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.469 -179.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.89 121.22 44.45 Favored 'General case' 0 N--CA 1.496 1.857 1 O-C-N 129.15 4.031 . . . . 0.0 103.47 174.052 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.12 170.62 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.201 0 O-C-N 127.767 3.167 . . . . 0.0 111.192 -177.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.12 144.62 38.17 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 112.051 -2.34 . . . . 0.0 106.297 174.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -54.9 -24.66 40.03 Favored 'Trans proline' 0 C--N 1.318 -1.053 0 C-N-CA 122.61 2.206 . . . . 0.0 111.618 177.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 43.4 t -79.96 -8.21 59.21 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.878 -177.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.0 148.49 47.58 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 117.284 -1.766 . . . . 0.0 109.833 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.86 160.48 21.14 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ILE . . . . . . . . . . . . . 21.6 mm -61.42 -36.7 74.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 O-C-N 127.072 2.733 . . . . 0.0 110.446 175.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.2 -42.92 77.93 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 120.436 -1.415 . . . . 0.0 110.979 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.37 -44.54 91.06 Favored 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.304 1.042 . . . . 0.0 111.42 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.62 -46.27 90.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.903 1.377 . . . . 0.0 108.982 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -60.83 -37.95 83.79 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.858 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.02 86.97 Favored 'General case' 0 C--O 1.278 2.573 0 O-C-N 123.384 0.428 . . . . 0.0 111.31 176.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -64.14 -37.35 87.15 Favored 'General case' 0 C--O 1.254 1.29 0 O-C-N 120.428 -1.42 . . . . 0.0 110.802 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -39.77 78.3 Favored 'Isoleucine or valine' 0 C--O 1.255 1.361 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.91 -48.79 78.89 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 125.542 2.591 . . . . 0.0 109.1 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.45 -41.72 66.41 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.919 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -93.34 -24.45 18.11 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -175.919 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -123.66 -6.29 8.05 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 122.879 2.581 . . . . 0.0 113.778 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.05 5.54 90.06 Favored Glycine 0 CA--C 1.475 -2.459 0 N-CA-C 118.757 2.263 . . . . 0.0 118.757 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -79.95 125.06 82.71 Favored Pre-proline 0 C--O 1.242 0.673 0 C-N-CA 118.694 -1.202 . . . . 0.0 111.012 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_exo -57.06 137.03 80.12 Favored 'Trans proline' 0 C--O 1.256 1.392 0 C-N-CA 123.02 2.48 . . . . 0.0 110.835 178.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -57.29 -32.2 93.05 Favored 'Trans proline' 0 C--O 1.261 1.658 0 O-C-N 122.999 0.999 . . . . 0.0 113.348 -179.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.32 -15.6 63.62 Favored 'General case' 0 C--O 1.263 1.816 0 O-C-N 120.045 -1.66 . . . . 0.0 112.23 -177.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.657 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 71.2 mt-30 -95.35 -10.65 29.49 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.443 -1.41 . . . . 0.0 112.327 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -84.91 129.57 34.78 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 124.302 2.001 . . . . 0.0 115.688 -177.466 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -121.12 116.15 24.45 Favored 'General case' 0 C--O 1.298 3.613 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 172.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -103.57 130.22 50.95 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 119.513 1.051 . . . . 0.0 109.964 -177.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 2.2 mt -122.03 131.58 72.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 125.065 1.478 . . . . 0.0 112.018 -177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.16 129.8 19.15 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 177.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.99 19.54 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 112.051 -2.341 . . . . 0.0 110.69 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.12 59.54 Favored Glycine 0 C--N 1.298 -1.539 0 C-N-CA 128.202 2.811 . . . . 0.0 117.358 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.79 143.82 39.09 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 115.342 -2.266 . . . . 0.0 110.946 174.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . 0.539 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -87.11 130.24 34.59 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 173.294 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -79.58 138.43 37.45 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 117.603 -1.189 . . . . 0.0 110.068 -175.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.91 139.99 36.79 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 125.198 1.562 . . . . 0.0 109.903 -177.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -48.22 -42.05 29.06 Favored 'General case' 0 C--O 1.261 1.685 0 N-CA-C 120.815 3.635 . . . . 0.0 120.815 -175.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.45 85.29 Favored Glycine 0 CA--C 1.493 -1.304 0 N-CA-C 116.036 1.174 . . . . 0.0 116.036 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -85.65 165.4 17.03 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 120.176 -1.779 . . . . 0.0 107.967 176.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' THR . . . . . 0.433 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 30.3 p -104.43 164.41 11.76 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 10.1 mt -60.93 -36.44 79.33 Favored 'General case' 0 C--O 1.2 -1.542 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 177.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 8.3 p -63.66 -29.7 70.9 Favored 'General case' 0 C--O 1.266 1.963 0 C-N-CA 117.285 -1.766 . . . . 0.0 112.297 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.66 -39.12 70.48 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 122.513 1.149 . . . . 0.0 110.798 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' B' ' 60' ' ' ASN . 61.7 m-85 -91.0 4.45 52.03 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 117.539 -1.22 . . . . 0.0 112.881 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.523 ' CG ' ' O ' ' B' ' 59' ' ' TYR . 11.9 p30 57.87 45.52 18.31 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 121.708 2.049 . . . . 0.0 111.305 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 6.7 mt -88.87 116.27 30.18 Favored 'Isoleucine or valine' 0 C--O 1.27 2.172 0 CA-C-O 115.05 -2.405 . . . . 0.0 106.189 175.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.41 169.57 8.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 126.153 2.158 . . . . 0.0 109.673 -176.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.91 142.96 27.63 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 123.175 1.464 . . . . 0.0 109.232 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 66.94 19.2 10.63 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 117.822 2.527 . . . . 0.0 117.822 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -71.09 159.55 34.5 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.9 t -119.01 126.54 51.97 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-O 118.238 -0.887 . . . . 0.0 108.842 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -103.1 154.6 19.11 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.611 -2.614 . . . . 0.0 105.763 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.56 135.89 46.14 Favored 'General case' 0 C--N 1.283 -2.309 0 O-C-N 127.564 3.04 . . . . 0.0 105.693 177.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tt -107.17 115.79 30.8 Favored 'General case' 0 C--O 1.284 2.898 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.341 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 76.4 t -108.1 140.0 28.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 103.468 -2.79 . . . . 0.0 103.468 175.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' LEU . . . . . 0.657 ' CD1' ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.16 -83.35 0.37 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.035 0.445 . . . . 0.0 109.802 178.395 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' ARG . . . . . 0.577 ' HB3' ' HA2' ' C' ' 101' ' ' GLY . 14.9 tpp180 58.9 88.65 0.06 Allowed 'General case' 0 C--N 1.277 -2.572 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.513 -178.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -70.4 0.12 Allowed 'General case' 0 C--N 1.293 -1.865 0 O-C-N 125.779 1.925 . . . . 0.0 109.783 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.1 131.4 50.86 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 113.811 -1.54 . . . . 0.0 108.752 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.16 168.24 24.66 Favored Glycine 0 C--O 1.245 0.811 0 CA-C-N 114.871 -1.059 . . . . 0.0 115.16 -178.603 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.458 0 CA-C-O 116.574 -2.237 . . . . 0.0 108.309 178.872 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 121.916 0.865 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.8 19.61 0.32 Allowed 'General case' 0 C--N 1.29 -2.007 0 O-C-N 119.086 -2.259 . . . . 0.0 110.994 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.96 86.2 0.06 Allowed 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 126.779 2.032 . . . . 0.0 110.669 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.03 137.83 31.96 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.583 -178.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.12 -39.61 75.34 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.922 172.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 97.2 t -144.38 136.08 21.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.203 1.401 . . . . 0.0 107.457 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -144.3 148.06 34.32 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.573 165.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -160.98 155.19 22.95 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.172 0.92 . . . . 0.0 111.198 173.158 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.23 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.331 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.14 147.71 6.79 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.023 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.96 164.89 25.21 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.235 -1.946 . . . . 0.0 108.235 175.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 -179.24 3.78 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 7.8 mtt -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.62 156.49 48.48 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.098 -1.441 . . . . 0.0 108.704 177.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' LEU . . . . . 0.719 HD11 ' O ' ' C' ' 33' ' ' LEU . 0.0 OUTLIER -92.67 116.17 28.77 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 177.242 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 115.84 29.37 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.09 8.66 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -113.95 14.57 18.49 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.331 -0.434 . . . . 0.0 109.981 178.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 75.3 m -112.04 122.51 47.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -76.14 120.02 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.1 119.35 26.53 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.231 -173.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.86 134.86 59.62 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.924 -0.917 . . . . 0.0 111.827 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -85.76 132.19 34.18 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 172.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -11.2 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.275 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.13 144.45 56.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 -173.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 125.6 26.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' GLY . . . . . 0.407 ' HA3' ' HE1' ' C' ' 61' ' ' TRP . . . -132.37 171.22 21.6 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.204 1.447 . . . . 0.0 115.321 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tp -128.39 124.4 36.24 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -90.97 137.51 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 164.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -151.85 157.83 42.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.963 0.887 . . . . 0.0 112.999 175.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' ILE . . . . . 0.416 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 9.9 mt -118.81 131.09 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.567 -1.651 . . . . 0.0 108.325 174.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.58 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.12 122.08 42.42 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 170.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -84.05 171.08 13.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.298 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -10.47 59.82 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 119.641 -0.824 . . . . 0.0 113.198 -170.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -82.65 7.41 14.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.017 171.011 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.9 -1.33 3.1 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.49 1.516 . . . . 0.0 114.665 -177.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.82 149.91 39.46 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 122.18 0.991 . . . . 0.0 113.111 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 19.4 mm -102.29 129.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.143 -177.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' HIS . . . . . 0.416 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 1.5 m80 -117.48 125.27 50.62 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -176.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -98.79 118.98 36.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 19.1 m -127.65 156.84 41.7 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -171.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 61' ' ' TRP . . . . . 0.407 ' HE1' ' HA3' ' C' ' 45' ' ' GLY . 67.0 t90 -130.43 128.26 40.95 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.755 169.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.68 134.28 55.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.11 -1.405 . . . . 0.0 109.773 -176.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.21 115.3 13.55 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -32.39 73.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.51 -46.08 56.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -175.044 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -20.4 21.75 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.551 -176.705 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.51 2.67 60.52 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.743 -0.476 . . . . 0.0 113.748 -171.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -72.44 129.99 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.711 1.256 . . . . 0.0 113.195 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.17 109.16 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.426 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -94.5 -28.84 15.24 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.999 -171.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -121.99 135.63 54.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.82 0.819 . . . . 0.0 109.383 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.1 103.22 2.36 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 -178.199 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.0 123.24 45.23 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.304 -174.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 3.5 mm -75.77 124.24 33.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.39 1.091 . . . . 0.0 111.729 168.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 24.8 mm -122.94 130.3 74.56 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.386 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.669 -174.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 76' ' ' PHE . . . . . 0.421 ' CZ ' ' O ' ' C' ' 77' ' ' PRO . 0.0 OUTLIER -101.25 158.94 30.84 Favored Pre-proline 0 C--O 1.24 0.576 0 O-C-N 124.376 1.048 . . . . 0.0 110.885 173.695 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 77' ' ' PRO . . . . . 0.421 ' O ' ' CZ ' ' C' ' 76' ' ' PHE . 52.1 Cg_exo -54.28 133.88 58.04 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.319 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.53 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -33.48 71.3 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.01 0.823 . . . . 0.0 109.584 176.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 80' ' ' CYS . . . . . 0.438 ' HB3' ' CD1' ' C' ' 98' ' ' PHE . 18.1 p -154.97 168.1 28.1 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.582 -173.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -133.38 139.33 46.72 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 113.473 -1.694 . . . . 0.0 107.009 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 82' ' ' PHE . . . . . 0.405 ' CD2' ' OH ' ' C' ' 94' ' ' TYR . 2.6 m-85 -106.78 124.24 49.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -148.56 156.47 42.48 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -177.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -67.79 142.73 56.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 70.0 t -94.19 98.36 2.85 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 171.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.02 -31.88 91.67 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 N-CA-C 117.809 2.196 . . . . 0.0 117.809 -167.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.15 8.59 34.93 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 117.983 -1.487 . . . . 0.0 112.207 -164.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 17.0 m -85.01 119.65 72.77 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -56.85 -19.98 33.92 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 122.99 0.995 . . . . 0.0 114.467 -173.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -34.57 78.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.347 0.521 . . . . 0.0 110.062 178.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 13.04 64.8 Favored Glycine 0 CA--C 1.505 -0.549 0 O-C-N 123.963 0.789 . . . . 0.0 111.528 -172.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -120.99 17.07 11.72 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.04 133.4 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 94' ' ' TYR . . . . . 0.75 ' CD2' ' HB2' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -124.98 151.83 44.99 Favored 'General case' 0 CA--C 1.501 -0.941 0 O-C-N 125.467 1.729 . . . . 0.0 110.479 178.615 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 95' ' ' VAL . . . . . 0.561 ' N ' ' CD1' ' C' ' 94' ' ' TYR . 2.6 p -127.02 135.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 96' ' ' LEU . . . . . 0.543 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 0.0 OUTLIER -95.5 108.14 20.35 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 169.083 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -109.25 125.13 51.94 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -171.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 98' ' ' PHE . . . . . 0.438 ' CD1' ' HB3' ' C' ' 80' ' ' CYS . 6.5 m-30 -84.74 115.58 22.78 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.071 0.857 . . . . 0.0 109.226 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 99' ' ' LYS . . . . . 0.539 ' HA ' ' HB2' ' B' ' 49' ' ' GLN . 3.0 ttpp -63.37 -25.13 68.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.397 -169.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.32 115.16 28.83 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 173.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 101' ' ' GLY . . . . . 0.577 ' HA2' ' HB3' ' B' ' 72' ' ' ARG . . . 101.92 172.37 27.7 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 42.2 p -91.35 9.09 33.05 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.058 -0.672 . . . . 0.0 110.601 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 129.2 38.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.897 -1.521 . . . . 0.0 110.602 -165.059 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.72 46.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.967 175.822 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -124.51 126.24 45.53 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -100.9 143.63 30.81 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 124.698 1.249 . . . . 0.0 110.256 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 107' ' ' PHE . . . . . 0.75 ' HB2' ' CD2' ' C' ' 94' ' ' TYR . 8.1 m-85 -137.09 156.66 48.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.234 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -131.47 126.61 35.47 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.397 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.69 137.77 58.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.257 -174.663 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -118.82 3.93 11.56 Favored 'General case' 0 N--CA 1.428 -1.534 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.31 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.31 135.95 93.92 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.107 1.432 . . . . 0.0 108.685 172.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.25 -41.39 42.63 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.08 146.93 24.23 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.487 173.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.2 m -83.37 -9.3 59.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.221 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -33.77 56.17 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -169.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -103.23 5.83 37.84 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.307 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.29 70.64 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.527 -173.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -44.06 80.35 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.833 0.349 . . . . 0.0 110.882 175.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -55.65 -45.84 77.58 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.069 -1.02 . . . . 0.0 112.299 173.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 121' ' ' CYS . . . . . 0.806 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 0.5 OUTLIER -60.59 -43.07 97.81 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.677 0.751 . . . . 0.0 110.352 178.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -43.38 98.96 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.124 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -64.23 -42.38 96.57 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 124' ' ' VAL . . . . . 0.806 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 6.3 m -52.22 -51.94 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.422 175.476 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 30.5 t-20 -60.33 -39.52 87.37 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.22 -46.05 82.24 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 120.827 0.346 . . . . 0.0 111.502 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -79.04 -24.37 43.64 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.44 -0.904 . . . . 0.0 112.4 -174.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 128' ' ' LEU . . . . . 0.502 ' HG ' ' N ' ' C' ' 129' ' ' ASN . 0.4 OUTLIER -79.14 -36.03 41.16 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.774 -0.77 . . . . 0.0 112.247 174.468 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 129' ' ' ASN . . . . . 0.502 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 28.4 t-20 -110.75 -11.17 14.42 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -168.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -141.16 71.85 27.47 Favored Pre-proline 0 N--CA 1.467 0.401 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 169.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.67 170.7 17.81 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.661 1.574 . . . . 0.0 111.641 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo . . . . . 0 C--N 1.289 -2.553 0 C-N-CA 122.442 2.095 . . . . 0.0 111.617 179.795 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtt . . . . . 0 CA--C 1.549 0.941 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -91.12 138.28 31.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 126.86 2.6 . . . . 0.0 108.852 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.23 162.99 38.27 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 173.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.96 140.17 49.52 Favored 'General case' 0 N--CA 1.514 2.749 1 O-C-N 130.524 4.89 . . . . 0.0 108.778 179.575 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.05 114.26 44.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 CA-C-O 113.402 -3.189 . . . . 0.0 105.602 175.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 127.52 41.33 Favored 'General case' 0 N--CA 1.507 2.397 1 O-C-N 129.429 4.205 . . . . 0.0 107.933 -178.156 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.3 p -99.57 170.72 8.4 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.86 -1.067 . . . . 0.0 109.381 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.29 -7.02 49.78 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.079 0.862 . . . . 0.0 112.688 -177.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.57 15.1 29.95 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.616 -2.434 . . . . 0.0 111.976 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.68 80.19 Favored Glycine 0 C--N 1.298 -1.575 0 O-C-N 120.187 -1.571 . . . . 0.0 116.101 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -96.48 138.13 34.52 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 p -119.97 131.64 55.24 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.62 2.45 . . . . 0.0 105.937 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 pt -109.58 141.92 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 127.706 3.129 . . . . 0.0 108.909 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.9 t -101.38 139.66 36.73 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.23 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.6 mt -126.37 154.01 44.15 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 115.351 -2.261 . . . . 0.0 108.43 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -111.83 121.0 43.88 Favored 'General case' 0 N--CA 1.499 2.019 1 O-C-N 129.283 4.114 . . . . 0.0 103.642 173.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 t -138.91 170.61 16.02 Favored 'Isoleucine or valine' 0 C--O 1.255 1.367 0 O-C-N 127.537 3.023 . . . . 0.0 111.195 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.95 144.5 37.63 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 112.354 -2.203 . . . . 0.0 106.36 174.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -54.96 -24.35 39.06 Favored 'Trans proline' 0 C--N 1.321 -0.911 0 C-N-CA 122.423 2.082 . . . . 0.0 112.015 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -8.13 59.2 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.903 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -70.99 148.39 47.69 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 117.503 -1.679 . . . . 0.0 109.814 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.73 160.56 21.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 175.779 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.965 HG21 HD13 ' A' ' 50' ' ' LEU . 1.6 mp -61.55 -37.03 76.91 Favored 'Isoleucine or valine' 0 C--O 1.246 0.884 0 O-C-N 127.304 2.877 . . . . 0.0 110.258 175.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 1.025 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.51 -40.26 78.3 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.229 -0.919 . . . . 0.0 110.792 176.939 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.21 -41.97 80.54 Favored 'General case' 0 C--O 1.263 1.77 0 O-C-N 121.801 -0.562 . . . . 0.0 110.953 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.4 t -58.27 -46.44 88.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 O-C-N 124.4 1.063 . . . . 0.0 109.159 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 1.025 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 15.3 pttp -60.77 -37.91 83.46 Favored 'General case' 0 C--O 1.26 1.623 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.76 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' A' ' 27' ' ' LYS . . . -66.21 -38.02 86.98 Favored 'General case' 0 C--O 1.277 2.501 0 CA-C-N 118.178 0.445 . . . . 0.0 111.184 176.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -37.44 87.48 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 120.441 -1.412 . . . . 0.0 110.697 176.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.8 mt -69.98 -39.59 77.62 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.21 -48.67 78.98 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.538 2.589 . . . . 0.0 109.138 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -41.73 65.92 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.455 -1.702 . . . . 0.0 111.931 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 0.1 OUTLIER -93.56 -24.29 18.01 Favored 'General case' 0 C--O 1.28 2.703 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -175.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -123.37 -6.38 8.21 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 123.053 2.661 . . . . 0.0 114.245 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.97 5.68 89.98 Favored Glycine 0 CA--C 1.477 -2.324 0 N-CA-C 118.955 2.342 . . . . 0.0 118.955 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 22.6 mm -79.8 124.73 83.25 Favored Pre-proline 0 C--O 1.243 0.758 0 C-N-CA 118.909 -1.117 . . . . 0.0 110.954 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.1 Cg_exo -56.91 136.8 78.68 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.293 2.662 . . . . 0.0 110.85 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 53.4 Cg_exo -57.18 -31.89 91.87 Favored 'Trans proline' 0 C--O 1.262 1.7 0 O-C-N 123.023 1.012 . . . . 0.0 113.634 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.52 -15.36 63.51 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 119.939 -1.726 . . . . 0.0 112.161 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -95.94 -10.3 29.05 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.718 -1.239 . . . . 0.0 112.11 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.86 129.68 34.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 124.417 2.056 . . . . 0.0 115.73 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.1 116.11 24.38 Favored 'General case' 0 C--O 1.299 3.677 0 N-CA-C 104.905 -2.258 . . . . 0.0 104.905 171.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.612 ' CB ' HD21 ' A' ' 50' ' ' LEU . 2.8 mm? -103.53 130.19 50.88 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 119.476 1.034 . . . . 0.0 109.921 -177.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 49' ' ' GLN . 42.4 mm -122.02 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 O-C-N 125.1 1.5 . . . . 0.0 111.919 -177.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -144.39 129.53 18.63 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 46.15 19.72 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.719 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' C' ' 74' ' ' ILE . . . 61.55 21.75 60.72 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 128.703 3.049 . . . . 0.0 117.488 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -115.03 142.82 46.12 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.533 ' HA ' HD13 ' A' ' 44' ' ' ILE . 4.4 mt-30 -85.83 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.528 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 174.577 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 1.174 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -79.52 138.18 37.43 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 117.651 -1.166 . . . . 0.0 110.175 -175.904 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -101.87 140.07 36.65 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 125.041 1.463 . . . . 0.0 109.942 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -47.91 -42.54 27.38 Favored 'General case' 0 C--O 1.264 1.824 0 N-CA-C 120.775 3.621 . . . . 0.0 120.775 -175.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 -8.85 85.51 Favored Glycine 0 CA--C 1.49 -1.502 0 N-CA-C 116.276 1.271 . . . . 0.0 116.276 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -85.42 165.41 17.22 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 119.761 -2.023 . . . . 0.0 108.024 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 25.5 p -104.52 164.8 11.49 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.46 HD22 HD13 ' A' ' 61' ' ' ILE . 41.6 mt -61.57 -35.99 79.38 Favored 'General case' 0 C--O 1.201 -1.448 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.7 t -64.22 -29.44 70.55 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 117.287 -1.765 . . . . 0.0 112.206 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.53 -39.56 70.7 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 122.39 1.09 . . . . 0.0 110.619 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -90.85 4.69 51.1 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 117.694 -1.145 . . . . 0.0 112.999 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.8 t30 58.15 45.21 17.9 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 121.574 1.988 . . . . 0.0 111.146 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.46 HD13 HD22 ' A' ' 56' ' ' LEU . 1.7 mt -88.78 116.43 30.39 Favored 'Isoleucine or valine' 0 C--O 1.266 1.958 0 CA-C-O 115.196 -2.335 . . . . 0.0 106.156 175.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.45 169.71 8.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 126.034 2.084 . . . . 0.0 109.379 -176.673 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.9 142.91 27.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.253 1.502 . . . . 0.0 109.077 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.712 ' O ' HD13 ' B' ' 8' ' ' LEU . 0.4 OUTLIER 67.1 19.22 10.48 Favored 'General case' 0 C--O 1.254 1.329 0 N-CA-C 117.912 2.56 . . . . 0.0 117.912 179.271 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -71.26 159.61 34.3 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.21 126.82 52.44 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 118.149 -0.929 . . . . 0.0 108.79 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 mt -103.15 154.54 19.2 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.763 -2.541 . . . . 0.0 105.624 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.804 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -105.66 135.68 46.63 Favored 'General case' 0 C--N 1.287 -2.13 0 O-C-N 127.42 2.95 . . . . 0.0 105.941 177.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -106.97 115.84 30.88 Favored 'General case' 0 C--O 1.284 2.872 0 CA-C-O 117.62 -1.181 . . . . 0.0 111.384 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.0 139.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 N-CA-C 103.654 -2.721 . . . . 0.0 103.654 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.1 138.85 33.12 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.199 0.523 . . . . 0.0 109.864 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.512 0 CA-C-O 113.14 -3.315 . . . . 0.0 105.558 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.6 ptp . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -90.96 138.51 31.55 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 127.142 2.777 . . . . 0.0 108.731 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -131.2 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 CA-C-O 115.816 -2.04 . . . . 0.0 105.902 173.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -116.0 140.18 49.52 Favored 'General case' 0 N--CA 1.514 2.761 1 O-C-N 130.573 4.921 . . . . 0.0 108.595 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.437 HG13 ' HB ' ' B' ' 13' ' ' ILE . 0.1 OUTLIER -117.92 114.18 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-O 113.444 -3.17 . . . . 0.0 105.776 175.509 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.2 127.59 41.37 Favored 'General case' 0 N--CA 1.502 2.156 1 O-C-N 129.162 4.039 . . . . 0.0 108.131 -178.1 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.9 p -99.58 170.82 8.32 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.297 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -73.32 -7.01 49.76 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 124.105 0.878 . . . . 0.0 112.879 -178.3 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.4 t -101.14 14.73 31.04 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 115.661 -2.415 . . . . 0.0 112.009 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.67 80.05 Favored Glycine 0 C--N 1.295 -1.704 0 O-C-N 120.162 -1.586 . . . . 0.0 116.034 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.27 137.92 34.64 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 174.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.89 131.88 55.38 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 126.401 2.313 . . . . 0.0 106.174 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.437 ' HB ' HG13 ' B' ' 5' ' ' VAL . 1.7 mp -109.51 141.8 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 127.746 3.154 . . . . 0.0 109.099 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -101.25 139.9 36.29 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 116.933 -1.907 . . . . 0.0 108.404 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt -126.52 154.01 44.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.494 -2.193 . . . . 0.0 108.437 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.8 121.11 44.18 Favored 'General case' 0 N--CA 1.497 1.91 1 O-C-N 129.283 4.114 . . . . 0.0 103.52 174.103 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 m -139.02 170.63 15.88 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 O-C-N 127.798 3.186 . . . . 0.0 111.272 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -120.04 144.65 38.09 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.314 174.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -55.03 -24.63 40.9 Favored 'Trans proline' 0 C--N 1.317 -1.097 0 C-N-CA 122.627 2.218 . . . . 0.0 111.515 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -8.2 59.18 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.878 -177.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.97 148.61 47.5 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 117.31 -1.756 . . . . 0.0 109.742 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.2 p -83.97 160.49 21.03 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 175.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.413 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 20.7 mm -61.46 -36.66 74.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 126.921 2.638 . . . . 0.0 110.449 175.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.778 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.19 -42.98 78.0 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 120.363 -1.461 . . . . 0.0 110.969 176.287 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -64.3 -44.62 91.07 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 124.264 1.025 . . . . 0.0 111.436 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.74 ' O ' HG23 ' B' ' 30' ' ' ILE . 2.3 t -58.59 -46.25 90.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 O-C-N 124.886 1.366 . . . . 0.0 108.994 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.497 ' O ' HG13 ' B' ' 30' ' ' ILE . 23.4 mtpt -60.78 -38.02 83.86 Favored 'General case' 0 C--O 1.256 1.402 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.805 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.95 86.63 Favored 'General case' 0 C--O 1.279 2.624 0 O-C-N 123.468 0.48 . . . . 0.0 111.387 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -64.03 -37.5 87.67 Favored 'General case' 0 C--O 1.254 1.3 0 O-C-N 120.438 -1.414 . . . . 0.0 110.825 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.74 HG23 ' O ' ' B' ' 26' ' ' VAL . 0.6 OUTLIER -69.69 -39.72 78.44 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 0.469 ' N ' HG13 ' B' ' 30' ' ' ILE . 2.5 tt0 -62.0 -48.86 78.42 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.547 2.594 . . . . 0.0 108.968 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -53.35 -41.86 66.24 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.82 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.4 OUTLIER -93.36 -24.32 18.13 Favored 'General case' 0 C--O 1.28 2.7 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 -175.885 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -123.68 -6.4 8.03 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 122.938 2.608 . . . . 0.0 113.784 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.09 5.6 90.0 Favored Glycine 0 CA--C 1.476 -2.379 0 N-CA-C 118.744 2.257 . . . . 0.0 118.744 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.728 HG22 HD11 ' B' ' 30' ' ' ILE . 1.4 mt -79.85 125.1 82.82 Favored Pre-proline 0 C--O 1.241 0.655 0 C-N-CA 118.682 -1.207 . . . . 0.0 111.003 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 82.7 Cg_exo -57.2 137.0 79.79 Favored 'Trans proline' 0 C--O 1.256 1.384 0 C-N-CA 122.935 2.424 . . . . 0.0 110.899 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.7 Cg_exo -57.21 -32.25 92.98 Favored 'Trans proline' 0 C--O 1.261 1.659 0 O-C-N 123.141 1.074 . . . . 0.0 113.324 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -15.52 63.6 Favored 'General case' 0 C--O 1.264 1.867 0 O-C-N 120.014 -1.679 . . . . 0.0 112.239 -177.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.502 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.1 OUTLIER -95.52 -10.59 29.26 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.462 -1.399 . . . . 0.0 112.207 178.405 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -84.84 129.66 34.78 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 124.207 1.955 . . . . 0.0 115.682 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -121.22 116.15 24.36 Favored 'General case' 0 C--O 1.299 3.663 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.146 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.63 130.33 51.06 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.484 1.038 . . . . 0.0 109.958 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.01 131.56 72.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 O-C-N 125.122 1.514 . . . . 0.0 111.987 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.25 129.83 19.07 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 45.98 19.82 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 111.979 -2.373 . . . . 0.0 110.693 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 20.27 59.5 Favored Glycine 0 C--N 1.298 -1.542 0 C-N-CA 128.217 2.818 . . . . 0.0 117.372 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -109.95 143.83 39.34 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 115.371 -2.252 . . . . 0.0 110.912 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.471 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.1 OUTLIER -87.17 130.34 34.58 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 103.971 -2.603 . . . . 0.0 103.971 173.38 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -79.58 138.37 37.44 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.074 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -101.94 139.98 36.84 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 125.178 1.549 . . . . 0.0 109.924 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.778 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.8 OUTLIER -48.17 -42.08 28.67 Favored 'General case' 0 C--O 1.262 1.723 0 N-CA-C 120.782 3.623 . . . . 0.0 120.782 -175.764 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.19 -8.58 85.22 Favored Glycine 0 CA--C 1.493 -1.339 0 N-CA-C 115.991 1.156 . . . . 0.0 115.991 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -85.6 165.33 17.13 Favored 'General case' 0 C--O 1.251 1.177 0 O-C-N 120.138 -1.801 . . . . 0.0 108.037 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 45.1 p -104.44 164.46 11.73 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.078 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.461 HD22 HD13 ' B' ' 61' ' ' ILE . 40.5 mt -61.01 -36.42 79.46 Favored 'General case' 0 C--O 1.201 -1.47 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.28 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -63.66 -29.81 71.0 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.29 -1.764 . . . . 0.0 112.135 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.62 -39.06 70.31 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 122.554 1.169 . . . . 0.0 110.861 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -91.04 4.5 51.95 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.942 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.87 45.44 18.43 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-N 121.666 2.03 . . . . 0.0 111.301 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.461 HD13 HD22 ' B' ' 56' ' ' LEU . 8.3 mt -88.78 116.19 29.98 Favored 'Isoleucine or valine' 0 C--O 1.27 2.153 0 CA-C-O 115.106 -2.378 . . . . 0.0 106.259 175.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -103.29 169.62 8.44 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 126.048 2.093 . . . . 0.0 109.783 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 142.9 28.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.071 1.415 . . . . 0.0 109.287 -176.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 67.1 19.05 10.5 Favored 'General case' 0 C--O 1.256 1.437 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -71.06 159.47 34.67 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 50.9 m -118.9 126.6 52.16 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 118.108 -0.948 . . . . 0.0 108.896 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.13 154.59 19.14 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.726 -2.559 . . . . 0.0 105.703 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -105.58 135.73 46.45 Favored 'General case' 0 C--N 1.283 -2.295 0 O-C-N 127.489 2.993 . . . . 0.0 105.714 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tp -107.03 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.865 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.43 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.528 ' HA ' HD11 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -108.17 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 103.462 -2.792 . . . . 0.0 103.462 175.2 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.584 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.6 tt -96.11 -83.52 0.37 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.1 0.476 . . . . 0.0 109.805 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.518 ' HB2' ' HA2' ' C' ' 101' ' ' GLY . 6.5 mmm180 . . . . . 0 C--N 1.278 -2.515 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.407 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 mptt . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.63 0.729 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -89.09 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.558 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' C' ' 127' ' ' TYR . 8.9 mt -70.2 -39.6 75.09 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.675 0.75 . . . . 0.0 111.885 172.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -144.3 136.11 22.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.233 1.413 . . . . 0.0 107.474 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.34 148.03 34.23 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.59 165.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -161.01 155.17 22.84 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.263 0.977 . . . . 0.0 111.181 173.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -72.21 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.331 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.61 ' HB1' ' CD2' ' C' ' 107' ' ' PHE . . . -166.16 147.73 6.78 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.077 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.89 25.12 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 108.247 -1.941 . . . . 0.0 108.247 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.17 -179.22 3.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.8 mtt -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -136.64 156.57 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.108 -1.437 . . . . 0.0 108.781 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.28 -116.09 8.67 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -113.95 14.55 18.49 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.332 -0.434 . . . . 0.0 110.018 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 85.9 m -111.96 122.48 47.89 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 -172.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 44.6 t -76.08 119.99 25.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -124.08 119.31 26.56 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.17 -173.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.91 134.81 59.11 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 117.935 -0.91 . . . . 0.0 111.863 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 172.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.21 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.267 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -67.08 144.41 56.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.11 125.58 26.81 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 45' ' ' GLY . . . . . 0.445 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.26 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.221 1.456 . . . . 0.0 115.299 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 tt -128.39 124.38 36.17 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 5.1 m -91.0 137.54 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.12 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 164.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -151.86 157.82 42.4 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.964 0.888 . . . . 0.0 113.032 175.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.586 HG23 HD13 ' C' ' 57' ' ' ILE . 1.8 mp -118.81 131.08 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.599 -1.637 . . . . 0.0 108.325 174.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -134.05 137.64 44.8 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -100.16 122.04 42.37 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 77.7 p -84.1 171.12 13.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.248 0.546 . . . . 0.0 111.248 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.53 -10.44 59.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.691 -0.804 . . . . 0.0 113.165 -170.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m 73.8 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.404 1.482 . . . . 0.0 114.791 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mp -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.677 HD12 ' N ' ' C' ' 58' ' ' HIS . 0.1 OUTLIER -102.19 129.08 54.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.176 -177.639 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.677 ' N ' HD12 ' C' ' 57' ' ' ILE . 13.3 m-70 -117.64 125.32 50.53 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -176.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -98.8 118.98 36.77 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 75.5 m -127.65 156.85 41.68 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 61' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.5 128.26 40.83 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.587 -1.642 . . . . 0.0 108.763 169.223 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.62 134.32 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.745 -176.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.26 115.36 13.68 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -63.98 -32.47 74.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -176.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -46.13 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -91.46 -20.44 21.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.574 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.5 2.72 60.6 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 80.5 t -84.19 109.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.429 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -94.54 -28.83 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.931 -171.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.99 135.51 54.85 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.838 0.828 . . . . 0.0 109.415 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.96 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.08 123.23 45.12 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.236 -174.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 74' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 47' ' ' GLY . 1.3 pt -75.86 124.3 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.392 1.091 . . . . 0.0 111.742 168.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.971 HG21 HD12 ' C' ' 128' ' ' LEU . 4.8 mm -122.96 130.33 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.632 -174.354 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.27 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.467 1.105 . . . . 0.0 110.861 173.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -54.31 133.88 58.13 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.91 2.407 . . . . 0.0 111.319 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.53 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -70.44 -33.63 71.53 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.01 0.823 . . . . 0.0 109.558 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.88 168.18 27.8 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.639 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.44 139.34 46.67 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.48 -1.691 . . . . 0.0 106.972 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -106.74 124.16 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.5 156.5 42.54 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.8 142.84 56.07 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.379 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 89.0 t -94.29 98.31 2.86 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -60.99 -31.99 91.92 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.765 2.179 . . . . 0.0 117.765 -167.685 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -91.1 8.59 34.82 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.207 -164.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.09 119.68 72.74 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -56.96 -19.83 34.0 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.42 -173.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 78.7 p -65.56 -34.67 78.79 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.411 0.55 . . . . 0.0 110.035 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.49 13.04 64.85 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.528 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -120.99 17.1 11.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 86.6 t -97.08 133.45 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 94' ' ' TYR . . . . . 0.886 ' HB2' ' CE1' ' C' ' 107' ' ' PHE . 10.1 m-85 -125.0 151.77 45.1 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.468 1.73 . . . . 0.0 110.44 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 p -127.03 135.39 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 57.8 tp -95.48 108.06 20.27 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -109.21 125.23 52.02 Favored 'General case' 0 CA--C 1.486 -1.509 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -171.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -84.89 115.68 22.9 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.136 0.898 . . . . 0.0 109.153 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 99' ' ' LYS . . . . . 0.471 ' HA ' ' HB2' ' B' ' 49' ' ' GLN . 13.0 mtmt -63.38 -25.18 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.412 -169.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 100' ' ' ALA . . . . . 0.432 ' HB3' ' NE2' ' A' ' 68' ' ' HIS . . . -111.26 115.21 28.96 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 173.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 101' ' ' GLY . . . . . 0.518 ' HA2' ' HB2' ' B' ' 72' ' ' ARG . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.34 8.94 33.65 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.034 -0.686 . . . . 0.0 110.55 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -70.63 129.19 38.51 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.622 -165.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.01 141.78 46.28 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.946 175.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mt -124.56 126.24 45.49 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -100.86 143.67 30.74 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.329 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 107' ' ' PHE . . . . . 0.992 ' CD1' ' C ' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -137.09 156.72 48.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.307 178.685 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 26.7 p-90 -131.5 126.57 35.29 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.408 175.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.63 137.75 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.238 -174.676 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -118.84 3.97 11.54 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.268 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.28 135.92 93.85 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.129 1.442 . . . . 0.0 108.623 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.29 -41.34 42.69 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.444 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -96.12 146.93 24.25 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.513 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 14.9 t -83.41 -9.26 59.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.216 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.23 5.8 37.82 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -174.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -56.84 -48.83 77.15 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.307 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -69.77 -32.28 70.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.582 -173.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.25 -44.09 80.3 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.901 0.381 . . . . 0.0 110.909 175.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -55.6 -45.91 77.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.025 -1.047 . . . . 0.0 112.264 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 121' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' C' ' 122' ' ' ARG . 0.5 OUTLIER -60.53 -43.12 97.48 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.695 0.76 . . . . 0.0 110.348 178.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 122' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' C' ' 121' ' ' CYS . 0.0 OUTLIER -61.89 -43.45 98.82 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.117 -179.43 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -42.37 96.58 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 69.3 t -52.27 -51.87 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.478 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.37 -39.53 87.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.33 -45.93 82.31 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.453 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 127' ' ' TYR . . . . . 0.648 ' CE1' HD22 ' C' ' 23' ' ' LEU . 63.0 m-85 -79.06 -24.51 43.51 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.445 -0.902 . . . . 0.0 112.381 -174.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.971 HD12 HG21 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -78.96 -36.15 42.0 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.796 -0.761 . . . . 0.0 112.278 174.471 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 129' ' ' ASN . . . . . 0.649 ' CB ' HD23 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.73 -11.12 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -168.547 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -141.17 71.87 27.4 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -82.32 168.47 14.85 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.591 1.527 . . . . 0.0 111.66 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo . . . . . 0 C--N 1.288 -2.624 0 C-N-CA 122.437 2.092 . . . . 0.0 111.568 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 mmt . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -91.18 138.21 31.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 126.812 2.57 . . . . 0.0 108.795 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.23 162.97 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 173.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 1.032 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -115.93 140.22 49.47 Favored 'General case' 0 N--CA 1.513 2.698 1 O-C-N 130.643 4.964 . . . . 0.0 108.779 179.606 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.749 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -118.15 114.25 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.562 175.829 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.23 127.52 41.35 Favored 'General case' 0 N--CA 1.505 2.323 1 O-C-N 129.36 4.162 . . . . 0.0 107.928 -178.092 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -99.54 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.35 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.8 mt -73.33 -7.02 49.84 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.049 0.843 . . . . 0.0 112.722 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.52 15.02 30.2 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.652 -2.419 . . . . 0.0 112.003 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.68 80.21 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.305 -1.497 . . . . 0.0 116.161 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.48 138.1 34.57 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.89 131.66 55.31 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 126.727 2.517 . . . . 0.0 105.943 176.428 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.6 HG23 HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -109.54 141.92 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 127.615 3.072 . . . . 0.0 108.865 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.8 m -101.4 139.7 36.71 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 117.214 -1.794 . . . . 0.0 108.2 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.43 153.99 44.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 115.418 -2.229 . . . . 0.0 108.332 -179.144 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -111.82 120.97 43.79 Favored 'General case' 0 N--CA 1.499 2.012 1 O-C-N 129.179 4.05 . . . . 0.0 103.685 173.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -138.9 170.62 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.312 0 O-C-N 127.513 3.008 . . . . 0.0 111.201 -177.898 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -120.0 144.49 37.67 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 112.356 -2.202 . . . . 0.0 106.349 174.686 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -55.02 -24.36 39.54 Favored 'Trans proline' 0 C--N 1.322 -0.838 0 C-N-CA 122.497 2.131 . . . . 0.0 111.935 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -8.33 59.24 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.872 -177.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.542 ' OD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -71.0 148.37 47.7 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 117.474 -1.69 . . . . 0.0 109.808 -179.016 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -83.69 160.53 21.29 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 21.2 mm -61.43 -37.13 77.02 Favored 'Isoleucine or valine' 0 C--O 1.245 0.844 0 O-C-N 127.209 2.818 . . . . 0.0 110.263 175.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.61 -40.16 78.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.336 -0.852 . . . . 0.0 110.788 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.29 -41.9 80.29 Favored 'General case' 0 C--O 1.262 1.729 0 O-C-N 121.919 -0.488 . . . . 0.0 110.947 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.542 HG23 ' OD2' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -58.14 -46.45 88.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 178.096 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.856 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 22.5 mttm -60.88 -37.83 83.53 Favored 'General case' 0 C--O 1.26 1.611 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.689 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.527 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.19 -38.13 87.27 Favored 'General case' 0 C--O 1.277 2.542 0 CA-C-N 118.207 0.458 . . . . 0.0 111.091 176.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.12 -37.55 87.84 Favored 'General case' 0 C--O 1.254 1.31 0 O-C-N 120.486 -1.383 . . . . 0.0 110.599 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.96 -39.5 77.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.139 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.913 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 2.2 mm-40 -62.17 -48.81 78.43 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 125.574 2.606 . . . . 0.0 109.053 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.24 -41.69 65.69 Favored 'General case' 0 C--O 1.253 1.238 0 CA-C-N 113.463 -1.699 . . . . 0.0 111.915 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 14.3 tptp -93.65 -24.2 17.97 Favored 'General case' 0 C--O 1.281 2.75 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.513 ' OE2' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -123.47 -6.45 8.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 123.148 2.704 . . . . 0.0 114.19 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.77 89.93 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.94 2.336 . . . . 0.0 118.94 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.913 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 19.5 mm -79.86 124.8 83.11 Favored Pre-proline 0 C--O 1.243 0.759 0 C-N-CA 118.866 -1.134 . . . . 0.0 110.899 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.579 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 79.9 Cg_exo -56.95 136.77 78.59 Favored 'Trans proline' 0 C--O 1.259 1.552 0 C-N-CA 123.351 2.7 . . . . 0.0 110.862 178.218 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.844 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 32.5 Cg_exo -57.15 -31.83 91.62 Favored 'Trans proline' 0 C--O 1.262 1.712 0 O-C-N 122.951 0.974 . . . . 0.0 113.749 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.59 -15.36 63.51 Favored 'General case' 0 C--O 1.261 1.664 0 O-C-N 119.863 -1.773 . . . . 0.0 112.213 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -95.97 -10.22 29.18 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 120.714 -1.242 . . . . 0.0 112.043 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.84 129.61 34.79 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 124.36 2.028 . . . . 0.0 115.706 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -121.08 116.1 24.37 Favored 'General case' 0 C--O 1.298 3.615 0 N-CA-C 104.936 -2.246 . . . . 0.0 104.936 171.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.481 ' CD1' HD23 ' A' ' 67' ' ' LEU . 2.8 mm? -103.52 130.18 50.85 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 119.501 1.046 . . . . 0.0 109.867 -177.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -121.93 131.89 72.12 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 O-C-N 125.139 1.525 . . . . 0.0 111.94 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.676 ' CZ ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -144.4 129.52 18.61 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 177.572 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 46.05 19.79 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.707 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' C' ' 74' ' ' ILE . . . 61.74 21.66 61.05 Favored Glycine 0 N--CA 1.432 -1.612 0 C-N-CA 128.723 3.059 . . . . 0.0 117.462 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HG2' HD11 ' C' ' 74' ' ' ILE . 0.0 OUTLIER -115.02 142.74 46.22 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 177.681 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -85.79 130.29 34.6 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 103.778 -2.675 . . . . 0.0 103.778 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -79.39 138.11 37.53 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 117.665 -1.159 . . . . 0.0 110.174 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.8 140.07 36.58 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 125.03 1.456 . . . . 0.0 110.014 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 19.0 m-20 -47.99 -42.45 27.86 Favored 'General case' 0 C--O 1.264 1.85 0 N-CA-C 120.764 3.616 . . . . 0.0 120.764 -175.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.66 -8.99 85.29 Favored Glycine 0 CA--C 1.49 -1.494 0 N-CA-C 116.192 1.237 . . . . 0.0 116.192 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -85.44 165.23 17.35 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 119.801 -1.999 . . . . 0.0 108.027 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 20.4 p -104.32 164.87 11.43 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 176.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.54 -36.02 79.41 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -29.4 70.5 Favored 'General case' 0 C--O 1.268 2.05 0 C-N-CA 117.328 -1.749 . . . . 0.0 112.176 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.51 -39.55 70.63 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 122.501 1.143 . . . . 0.0 110.715 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -90.82 4.68 51.05 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.999 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 58.08 45.21 18.11 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 121.617 2.008 . . . . 0.0 111.187 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.1 mm -88.72 116.59 30.65 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 CA-C-O 115.143 -2.361 . . . . 0.0 106.187 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 65' ' ' SER . 0.0 OUTLIER -103.56 169.59 8.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 126.006 2.066 . . . . 0.0 109.376 -176.647 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.93 27.66 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 123.259 1.504 . . . . 0.0 109.101 -176.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 66.93 19.26 10.63 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -71.15 159.5 34.56 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.718 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.676 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . 6.4 t -119.15 126.75 52.33 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 118.168 -0.92 . . . . 0.0 108.865 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.032 HD13 ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -103.08 154.51 19.19 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 114.762 -2.542 . . . . 0.0 105.711 175.141 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.611 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -105.58 135.59 46.71 Favored 'General case' 0 C--N 1.287 -2.116 0 O-C-N 127.391 2.932 . . . . 0.0 105.892 177.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 tp -106.82 115.84 30.89 Favored 'General case' 0 C--O 1.285 2.922 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.446 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.2 t -108.07 139.9 28.53 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 N-CA-C 103.577 -2.749 . . . . 0.0 103.577 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -96.07 138.78 33.19 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.242 0.544 . . . . 0.0 109.806 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 . . . . . 0 C--N 1.279 -2.492 0 CA-C-O 113.153 -3.308 . . . . 0.0 105.629 178.501 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mmm . . . . . 0 CA--C 1.549 0.911 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.9 138.51 31.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 127.143 2.777 . . . . 0.0 108.741 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.438 HD12 HD21 ' B' ' 67' ' ' LEU . 0.2 OUTLIER -131.14 163.01 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 CA-C-O 115.813 -2.042 . . . . 0.0 105.885 173.187 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.91 140.19 49.48 Favored 'General case' 0 N--CA 1.514 2.747 1 O-C-N 130.619 4.949 . . . . 0.0 108.627 179.713 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.642 HG12 HD21 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -117.93 114.11 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-O 113.376 -3.202 . . . . 0.0 105.793 175.504 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.14 127.62 41.34 Favored 'General case' 0 N--CA 1.502 2.138 1 O-C-N 129.203 4.064 . . . . 0.0 108.19 -178.12 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.55 170.83 8.32 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.769 -1.11 . . . . 0.0 109.259 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.651 HD11 HG13 ' B' ' 70' ' ' VAL . 5.6 mt -73.42 -6.93 49.42 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.096 0.872 . . . . 0.0 112.838 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -101.23 14.78 30.88 Favored 'General case' 0 N--CA 1.507 2.396 0 C-N-CA 115.663 -2.415 . . . . 0.0 111.997 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.75 80.05 Favored Glycine 0 C--N 1.296 -1.662 0 O-C-N 120.136 -1.603 . . . . 0.0 116.01 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.28 137.95 34.61 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 174.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.87 131.98 55.42 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 126.31 2.256 . . . . 0.0 106.203 176.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.55 141.82 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.825 3.203 . . . . 0.0 109.096 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -101.18 139.91 36.2 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 117.054 -1.858 . . . . 0.0 108.356 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.8 mt -126.59 154.11 44.36 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 115.538 -2.172 . . . . 0.0 108.348 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.86 121.22 44.47 Favored 'General case' 0 N--CA 1.496 1.874 1 O-C-N 129.271 4.107 . . . . 0.0 103.496 174.073 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.11 170.56 15.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.351 0 O-C-N 127.774 3.171 . . . . 0.0 111.271 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 pm0 -120.03 144.68 38.14 Favored Pre-proline 0 C--N 1.312 -1.052 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.288 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -55.0 -24.66 40.78 Favored 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 122.719 2.279 . . . . 0.0 111.498 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.6 t -79.89 -8.34 59.25 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.849 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.92 148.52 47.64 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.727 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.1 p -83.86 160.49 21.14 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 175.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.979 HG21 HD13 ' B' ' 50' ' ' LEU . 1.8 mp -61.44 -36.74 75.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 126.959 2.662 . . . . 0.0 110.336 175.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.776 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.2 -42.83 77.82 Favored 'General case' 0 C--O 1.252 1.22 0 O-C-N 120.408 -1.432 . . . . 0.0 111.009 176.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -64.47 -44.47 90.95 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 124.263 1.025 . . . . 0.0 111.44 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.66 -46.31 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 114.207 -1.36 . . . . 0.0 108.992 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.776 ' O ' HG22 ' B' ' 30' ' ' ILE . 10.5 mtmm -60.7 -38.07 83.79 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.812 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -37.94 86.76 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 123.359 0.412 . . . . 0.0 111.38 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -64.1 -37.47 87.56 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 120.429 -1.419 . . . . 0.0 110.791 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.776 HG22 ' O ' ' B' ' 27' ' ' LYS . 5.4 tp -69.66 -39.77 78.56 Favored 'Isoleucine or valine' 0 C--O 1.255 1.376 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.97 -48.82 78.65 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 125.572 2.606 . . . . 0.0 109.054 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.4 -41.8 66.34 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.852 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.4 OUTLIER -93.32 -24.36 18.15 Favored 'General case' 0 C--O 1.28 2.659 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 -175.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.72 -6.25 8.02 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 122.864 2.574 . . . . 0.0 113.688 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.63 90.01 Favored Glycine 0 CA--C 1.477 -2.318 0 N-CA-C 118.66 2.224 . . . . 0.0 118.66 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.513 HD11 ' CG1' ' B' ' 30' ' ' ILE . 4.2 pt -79.91 124.99 82.93 Favored Pre-proline 0 C--O 1.242 0.682 0 C-N-CA 118.719 -1.192 . . . . 0.0 111.033 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 82.9 Cg_exo -57.17 137.05 80.04 Favored 'Trans proline' 0 C--O 1.256 1.404 0 C-N-CA 122.913 2.409 . . . . 0.0 110.833 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.5 Cg_exo -57.17 -32.19 92.72 Favored 'Trans proline' 0 C--O 1.261 1.666 0 O-C-N 123.023 1.012 . . . . 0.0 113.444 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -15.54 63.6 Favored 'General case' 0 C--O 1.265 1.912 0 O-C-N 120.056 -1.652 . . . . 0.0 112.189 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.788 ' HB2' HD13 ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.48 -10.73 28.98 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.504 -1.372 . . . . 0.0 112.177 178.432 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.403 ' NE2' HD12 ' B' ' 36' ' ' ILE . 36.5 mm-40 -84.76 129.6 34.8 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 124.274 1.988 . . . . 0.0 115.797 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -121.1 116.08 24.32 Favored 'General case' 0 C--O 1.299 3.664 0 N-CA-C 104.83 -2.285 . . . . 0.0 104.83 172.19 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.692 ' HG ' HD22 ' B' ' 69' ' ' LEU . 0.2 OUTLIER -103.52 130.26 50.88 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.501 1.046 . . . . 0.0 110.02 -177.663 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.861 HD11 ' O ' ' C' ' 99' ' ' LYS . 12.5 mm -122.01 131.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 125.136 1.522 . . . . 0.0 111.966 -177.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.667 ' CZ ' ' HB3' ' B' ' 50' ' ' LEU . 0.0 OUTLIER -144.23 129.78 19.05 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 177.449 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 46.01 19.66 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 112.011 -2.358 . . . . 0.0 110.661 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 20.29 59.44 Favored Glycine 0 C--N 1.298 -1.581 0 C-N-CA 128.349 2.88 . . . . 0.0 117.349 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -109.94 143.93 39.18 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 115.307 -2.282 . . . . 0.0 110.964 174.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.494 ' HA ' HD13 ' B' ' 44' ' ' ILE . 3.8 pp0? -87.29 130.33 34.64 Favored 'General case' 0 C--N 1.279 -2.473 0 N-CA-C 103.95 -2.611 . . . . 0.0 103.95 173.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 1.185 ' O ' HD12 ' B' ' 50' ' ' LEU . 0.1 OUTLIER -79.61 138.44 37.43 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.043 -175.757 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.98 140.01 36.85 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 125.201 1.563 . . . . 0.0 109.893 -177.627 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.776 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.6 OUTLIER -48.22 -42.1 29.2 Favored 'General case' 0 C--O 1.261 1.7 0 N-CA-C 120.741 3.608 . . . . 0.0 120.741 -175.774 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.28 -8.37 85.37 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 115.967 1.147 . . . . 0.0 115.967 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -85.62 165.3 17.14 Favored 'General case' 0 C--O 1.25 1.13 0 O-C-N 120.124 -1.809 . . . . 0.0 108.02 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 2.3 p -104.35 164.59 11.63 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.06 -36.39 79.48 Favored 'General case' 0 C--O 1.201 -1.49 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -29.79 70.98 Favored 'General case' 0 C--O 1.266 1.922 0 C-N-CA 117.294 -1.762 . . . . 0.0 112.184 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.68 -39.01 70.39 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 122.454 1.121 . . . . 0.0 110.729 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.507 ' CG ' ' CZ ' ' B' ' 45' ' ' PHE . 79.4 m-85 -91.2 4.54 51.99 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.865 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.92 45.35 18.39 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 121.713 2.051 . . . . 0.0 111.276 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.457 HD13 ' HB2' ' B' ' 59' ' ' TYR . 1.0 OUTLIER -88.74 116.22 30.02 Favored 'Isoleucine or valine' 0 C--O 1.269 2.087 0 CA-C-O 115.098 -2.382 . . . . 0.0 106.239 175.821 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -103.32 169.53 8.49 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 126.08 2.113 . . . . 0.0 109.74 -176.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 142.97 27.11 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 123.228 1.49 . . . . 0.0 109.264 -176.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.403 0 N-CA-C 117.819 2.525 . . . . 0.0 117.819 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.4 t -71.07 159.56 34.5 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.06 126.63 52.13 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 118.153 -0.927 . . . . 0.0 108.801 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.476 ' N ' HD13 ' B' ' 67' ' ' LEU . 0.2 OUTLIER -103.18 154.57 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.667 -2.587 . . . . 0.0 105.699 175.071 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.571 ' C ' HD23 ' B' ' 69' ' ' LEU . 2.1 m-70 -105.58 135.73 46.46 Favored 'General case' 0 C--N 1.284 -2.28 0 O-C-N 127.581 3.051 . . . . 0.0 105.773 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.692 HD22 ' HG ' ' B' ' 43' ' ' LEU . 6.6 mt -107.05 115.87 30.94 Favored 'General case' 0 C--O 1.283 2.847 0 CA-C-O 117.596 -1.193 . . . . 0.0 111.419 176.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.651 HG13 HD11 ' B' ' 8' ' ' LEU . 39.8 t -108.13 139.92 28.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 103.472 -2.788 . . . . 0.0 103.472 175.176 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.834 HD12 ' C ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER -96.11 -83.43 0.37 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.057 0.456 . . . . 0.0 109.851 178.373 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.664 ' N ' ' HG ' ' B' ' 71' ' ' LEU . 4.3 ttp180 . . . . . 0 C--N 1.277 -2.586 0 CA-C-O 113.46 -3.162 . . . . 0.0 105.444 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.51 -0.596 0 CA-C-O 121.626 0.727 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.01 137.88 31.91 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.59 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.26 -39.57 74.88 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.653 0.739 . . . . 0.0 111.828 172.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.7 t -144.36 136.19 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.184 1.394 . . . . 0.0 107.449 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -144.47 148.03 34.04 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.528 165.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -160.98 155.21 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.32 1.013 . . . . 0.0 111.148 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -72.24 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.18 -1.373 . . . . 0.0 112.331 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.18 147.65 6.73 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.098 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.87 25.22 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -179.24 3.79 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 31' ' ' MET . . . . . 0.607 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.14 161.05 37.2 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 32' ' ' SER . . . . . 0.607 ' N ' ' HG2' ' C' ' 31' ' ' MET . 3.4 m -136.66 156.48 48.49 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.131 -1.428 . . . . 0.0 108.794 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.71 116.16 28.76 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -112.35 115.87 29.43 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.11 8.69 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.289 -1.925 . . . . 0.0 108.289 -169.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.93 14.55 18.51 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.37 -0.415 . . . . 0.0 109.99 178.061 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 4.4 p -112.03 122.47 47.86 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -172.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.504 HG23 ' O ' ' C' ' 38' ' ' VAL . 35.4 m -76.09 120.04 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.18 119.37 26.43 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.161 -173.366 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.79 59.0 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.924 -0.917 . . . . 0.0 111.853 173.442 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.64 132.15 34.21 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 172.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -11.2 59.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.14 144.43 56.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -173.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 125.54 26.68 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 171.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.22 21.59 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.12 1.4 . . . . 0.0 115.404 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mt -128.32 124.4 36.38 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.4 t -90.96 137.62 21.34 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 164.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -152.01 157.77 42.16 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 122.043 0.925 . . . . 0.0 113.017 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.453 HG13 HD21 ' C' ' 128' ' ' LEU . 3.1 mm -118.77 131.09 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.325 174.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -134.04 137.61 44.81 Favored 'General case' 0 CA--C 1.492 -1.251 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -100.16 122.08 42.43 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -84.09 171.07 13.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.287 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -10.36 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.651 -0.819 . . . . 0.0 113.187 -170.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.71 7.36 15.13 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.316 -0.154 . . . . 0.0 110.948 170.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 29.4 t 73.86 -1.31 3.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.399 1.48 . . . . 0.0 114.695 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.91 149.94 39.29 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 119.24 -0.984 . . . . 0.0 113.11 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.21 129.1 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 8.4 m-70 -117.65 125.36 50.59 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -176.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 59' ' ' PHE . . . . . 0.428 ' HA ' HD13 ' C' ' 49' ' ' ILE . 22.4 t80 -98.88 119.02 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 171.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 93.1 m -127.7 156.78 41.83 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -130.43 128.35 41.14 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.523 -1.671 . . . . 0.0 108.728 169.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -120.69 134.33 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 113.993 -1.458 . . . . 0.0 109.801 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -74.26 115.32 13.63 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -32.38 73.9 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -176.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -46.17 55.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 32.5 t -91.36 -20.58 21.68 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.582 -176.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.67 2.65 61.11 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-O 119.711 -0.494 . . . . 0.0 113.722 -171.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.645 1.223 . . . . 0.0 113.195 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 34.5 t -84.17 109.1 17.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -94.55 -28.83 15.21 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.898 -171.609 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -121.97 135.57 54.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.808 0.813 . . . . 0.0 109.389 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -155.01 103.32 2.39 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.543 -2.391 . . . . 0.0 104.543 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.08 123.24 45.14 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.38 -1.282 . . . . 0.0 109.242 -174.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 74' ' ' ILE . . . . . 0.46 ' O ' ' O ' ' A' ' 47' ' ' GLY . 5.0 pt -75.84 124.35 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.374 1.083 . . . . 0.0 111.714 168.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.64 HD13 ' HB3' ' C' ' 128' ' ' LEU . 2.0 pp -122.99 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.415 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.645 -174.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.33 158.97 30.78 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.334 1.021 . . . . 0.0 110.826 173.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.31 133.88 58.13 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.91 2.407 . . . . 0.0 111.319 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.48 6.86 5.92 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 -175.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -33.66 71.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 119.061 0.846 . . . . 0.0 109.576 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 6.4 p -154.9 168.16 27.87 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.481 -1.288 . . . . 0.0 113.639 -173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -133.41 139.38 46.73 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 113.441 -1.709 . . . . 0.0 107.026 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -106.74 124.16 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.55 156.41 42.41 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -67.69 142.83 56.21 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.416 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 35.8 t -94.31 98.33 2.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 171.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -61.05 -31.87 91.37 Favored 'Trans proline' 0 N--CA 1.476 0.478 0 N-CA-C 117.786 2.187 . . . . 0.0 117.786 -167.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -91.08 8.6 34.7 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.929 -1.509 . . . . 0.0 112.273 -164.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 5.9 m -85.08 119.69 72.76 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.89 -19.92 33.94 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.408 -173.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 14.6 p -65.56 -34.63 78.7 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.421 0.555 . . . . 0.0 110.062 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.49 13.02 64.82 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.528 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -120.97 17.03 11.74 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 52.7 t -96.91 133.46 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -125.0 151.81 45.05 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.517 1.761 . . . . 0.0 110.388 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.08 135.27 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 57.9 tp -95.36 108.1 20.26 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 169.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -109.1 125.17 51.86 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 -171.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -84.84 115.76 22.92 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.058 0.849 . . . . 0.0 109.148 176.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 99' ' ' LYS . . . . . 0.861 ' O ' HD11 ' B' ' 44' ' ' ILE . 2.1 pttp -63.54 -25.1 68.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.344 -169.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.31 115.13 28.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.9 172.35 27.71 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -172.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.34 9.0 33.36 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.026 -0.69 . . . . 0.0 110.523 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -70.63 129.22 38.6 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.622 -165.076 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.15 141.74 46.0 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.854 175.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.4 mp -124.45 126.17 45.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -100.86 143.68 30.72 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.329 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -137.12 156.68 48.07 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.262 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -131.43 126.55 35.38 Favored 'General case' 0 N--CA 1.418 -2.035 0 C-N-CA 119.516 -0.874 . . . . 0.0 110.446 175.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -62.64 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.278 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.88 4.01 11.51 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.629 -1.168 . . . . 0.0 110.256 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.26 135.83 93.79 Favored Pre-proline 0 C--O 1.264 1.838 0 CA-C-O 123.154 1.454 . . . . 0.0 108.717 172.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.19 -41.34 43.47 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.568 -1.154 . . . . 0.0 112.482 -174.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.15 146.95 24.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 13.9 p -83.48 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.125 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -33.78 56.28 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.403 0.681 . . . . 0.0 112.767 -169.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.28 5.88 37.73 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -174.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.96 -1.096 . . . . 0.0 110.307 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.87 -32.2 70.45 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.543 -173.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.33 -44.04 80.1 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 175.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -55.61 -45.86 77.44 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.025 -1.047 . . . . 0.0 112.27 173.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 13.9 t -60.59 -43.07 97.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 121.695 0.76 . . . . 0.0 110.323 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -43.35 99.03 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.101 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -64.29 -42.29 96.48 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 124' ' ' VAL . . . . . 0.463 ' O ' ' HG ' ' C' ' 128' ' ' LEU . 55.4 t -52.36 -51.86 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.383 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.4 -39.49 87.53 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.27 -45.96 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.502 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -79.07 -24.44 43.52 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.38 -174.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.817 HD23 ' N ' ' C' ' 128' ' ' LEU . 0.3 OUTLIER -79.08 -36.06 41.4 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.751 -0.78 . . . . 0.0 112.273 174.515 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -110.8 -11.05 14.42 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -168.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -141.17 71.8 27.44 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 169.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -77.77 170.94 18.21 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 121.522 1.482 . . . . 0.0 111.642 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo . . . . . 0 C--N 1.29 -2.526 0 C-N-CA 122.372 2.048 . . . . 0.0 111.602 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.02 138.18 31.8 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 126.827 2.58 . . . . 0.0 108.943 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 4' ' ' PHE . 1.3 pp -131.25 162.97 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.37 0 CA-C-O 115.916 -1.992 . . . . 0.0 105.633 173.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.596 ' HB2' HG23 ' A' ' 66' ' ' THR . 4.5 m-85 -115.91 140.16 49.52 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.563 4.914 . . . . 0.0 108.785 179.679 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.456 HG23 HD11 ' A' ' 3' ' ' ILE . 94.9 t -118.03 114.16 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.632 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -95.17 127.59 41.34 Favored 'General case' 0 N--CA 1.506 2.328 1 O-C-N 129.374 4.171 . . . . 0.0 107.839 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.62 170.8 8.33 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.375 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -7.01 49.85 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 124.105 0.878 . . . . 0.0 112.638 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.7 p -101.49 15.08 29.99 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.695 -2.402 . . . . 0.0 111.983 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 16.73 80.24 Favored Glycine 0 C--N 1.297 -1.603 0 O-C-N 120.235 -1.54 . . . . 0.0 116.162 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.5 138.09 34.6 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 175.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -119.96 131.64 55.25 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 126.652 2.47 . . . . 0.0 105.952 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.9 mm -109.57 141.9 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 127.623 3.077 . . . . 0.0 108.891 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -101.33 139.63 36.74 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 117.231 -1.788 . . . . 0.0 108.193 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.443 HD11 HG21 ' A' ' 5' ' ' VAL . 23.2 mt -126.43 154.04 44.2 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.336 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -111.89 121.08 44.07 Favored 'General case' 0 N--CA 1.499 2.024 1 O-C-N 129.275 4.11 . . . . 0.0 103.627 173.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.8 m -138.95 170.6 15.99 Favored 'Isoleucine or valine' 0 C--O 1.255 1.365 0 O-C-N 127.565 3.041 . . . . 0.0 111.286 -177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -119.95 144.31 37.2 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 112.373 -2.194 . . . . 0.0 106.41 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -54.9 -24.34 38.51 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.553 2.169 . . . . 0.0 111.949 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.02 -8.08 59.17 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.967 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.05 148.39 47.6 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 117.435 -1.706 . . . . 0.0 109.813 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.76 160.52 21.23 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 175.809 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 34.9 mm -61.49 -37.13 77.08 Favored 'Isoleucine or valine' 0 C--O 1.246 0.903 0 O-C-N 127.157 2.785 . . . . 0.0 110.241 175.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -40.17 77.85 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.312 -0.868 . . . . 0.0 110.825 176.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.32 -41.91 80.12 Favored 'General case' 0 C--O 1.261 1.702 0 O-C-N 121.896 -0.502 . . . . 0.0 110.949 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.24 -46.44 88.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 124.428 1.08 . . . . 0.0 109.17 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -60.77 -37.95 83.6 Favored 'General case' 0 C--O 1.259 1.557 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.764 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.03 86.94 Favored 'General case' 0 C--O 1.278 2.575 0 CA-C-N 118.043 0.383 . . . . 0.0 111.163 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -37.61 88.06 Favored 'General case' 0 C--O 1.254 1.342 0 CA-C-O 123.072 1.415 . . . . 0.0 110.699 176.02 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.6 mt -70.02 -39.35 77.24 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.32 -48.76 78.4 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 125.488 2.566 . . . . 0.0 109.039 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.17 -41.78 65.55 Favored 'General case' 0 C--O 1.253 1.243 0 CA-C-N 113.515 -1.675 . . . . 0.0 111.954 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 34.9 tttt -93.61 -24.27 17.98 Favored 'General case' 0 C--O 1.281 2.73 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 -175.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -123.4 -6.42 8.19 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.103 2.683 . . . . 0.0 114.243 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.7 89.97 Favored Glycine 0 CA--C 1.479 -2.208 0 N-CA-C 118.978 2.351 . . . . 0.0 118.978 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 53.3 mt -79.73 124.78 83.35 Favored Pre-proline 0 C--O 1.245 0.854 0 C-N-CA 118.842 -1.143 . . . . 0.0 110.947 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 80.3 Cg_exo -56.97 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.561 0 C-N-CA 123.344 2.696 . . . . 0.0 110.774 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -57.2 -31.96 92.12 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 122.911 0.953 . . . . 0.0 113.645 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -15.26 63.47 Favored 'General case' 0 C--O 1.261 1.691 0 O-C-N 119.811 -1.806 . . . . 0.0 112.195 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -96.03 -10.23 29.0 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 120.68 -1.262 . . . . 0.0 112.004 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -84.86 129.6 34.79 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 124.389 2.042 . . . . 0.0 115.749 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 116.13 24.44 Favored 'General case' 0 C--O 1.299 3.672 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 171.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.82 ' HB2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -103.6 130.18 50.99 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.515 1.052 . . . . 0.0 109.922 -177.531 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' C' ' 76' ' ' PHE . 0.8 OUTLIER -122.02 131.88 72.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 O-C-N 125.154 1.534 . . . . 0.0 111.805 -177.471 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -144.47 129.49 18.52 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.16 19.6 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 112.198 -2.274 . . . . 0.0 110.765 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.63 21.71 60.86 Favored Glycine 0 N--CA 1.433 -1.536 0 C-N-CA 128.66 3.029 . . . . 0.0 117.465 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -115.04 142.73 46.24 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -85.87 130.31 34.59 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD23 HD12 ' A' ' 23' ' ' ILE . 3.1 mp -79.55 138.12 37.39 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 117.708 -1.139 . . . . 0.0 110.146 -175.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -101.67 140.07 36.46 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 125.071 1.482 . . . . 0.0 109.965 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.458 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -47.94 -42.55 27.71 Favored 'General case' 0 C--O 1.264 1.847 0 N-CA-C 120.732 3.604 . . . . 0.0 120.732 -175.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.69 -8.8 85.52 Favored Glycine 0 CA--C 1.49 -1.525 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.48 165.27 17.29 Favored 'General case' 0 C--O 1.251 1.164 0 O-C-N 119.837 -1.978 . . . . 0.0 108.1 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.6 p -104.37 164.95 11.38 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 176.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.517 ' HG ' HD13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -61.71 -35.92 79.42 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.292 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -29.39 70.49 Favored 'General case' 0 C--O 1.267 1.977 0 C-N-CA 117.322 -1.751 . . . . 0.0 112.219 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.61 -39.43 70.78 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 122.421 1.105 . . . . 0.0 110.753 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.474 ' HB2' HD12 ' A' ' 61' ' ' ILE . 55.8 m-85 -90.85 4.69 51.09 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.721 -1.133 . . . . 0.0 113.028 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.09 45.16 18.16 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.607 2.003 . . . . 0.0 111.229 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.517 HD13 ' HG ' ' A' ' 56' ' ' LEU . 4.1 mt -88.74 116.5 30.5 Favored 'Isoleucine or valine' 0 C--O 1.265 1.89 0 CA-C-O 115.162 -2.351 . . . . 0.0 106.183 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -103.52 169.72 8.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 126.15 2.156 . . . . 0.0 109.363 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 pttp -54.92 142.87 28.04 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 123.262 1.506 . . . . 0.0 109.108 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.564 ' O ' HD22 ' B' ' 8' ' ' LEU . 81.5 mm-40 67.01 19.29 10.57 Favored 'General case' 0 C--O 1.254 1.308 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.21 159.59 34.37 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.705 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -119.1 126.75 52.36 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 118.093 -0.955 . . . . 0.0 108.855 175.777 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 43' ' ' LEU . 4.4 tt -103.11 154.56 19.15 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 114.755 -2.545 . . . . 0.0 105.647 175.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -105.68 135.71 46.61 Favored 'General case' 0 C--N 1.287 -2.132 0 O-C-N 127.382 2.926 . . . . 0.0 105.812 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -106.9 115.82 30.84 Favored 'General case' 0 C--O 1.285 2.967 0 CA-C-O 117.651 -1.166 . . . . 0.0 111.43 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -108.04 139.86 28.62 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 N-CA-C 103.59 -2.745 . . . . 0.0 103.59 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mp -96.06 138.91 33.01 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 121.302 0.572 . . . . 0.0 109.793 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 . . . . . 0 C--N 1.279 -2.485 0 CA-C-O 113.215 -3.279 . . . . 0.0 105.551 178.609 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptt? . . . . . 0 CA--C 1.548 0.866 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -90.88 138.39 31.63 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 127.101 2.751 . . . . 0.0 108.898 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 pt -131.14 163.13 37.83 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-O 115.782 -2.056 . . . . 0.0 105.89 173.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.844 ' O ' HD22 ' B' ' 67' ' ' LEU . 7.9 m-85 -116.04 140.15 49.56 Favored 'General case' 0 N--CA 1.515 2.791 1 O-C-N 130.653 4.971 . . . . 0.0 108.585 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.436 ' O ' HG22 ' B' ' 5' ' ' VAL . 0.1 OUTLIER -117.92 114.09 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-O 113.432 -3.175 . . . . 0.0 105.823 175.512 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -95.12 127.62 41.32 Favored 'General case' 0 N--CA 1.503 2.19 1 O-C-N 129.164 4.04 . . . . 0.0 108.107 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.9 p -99.6 170.84 8.3 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 117.846 -1.073 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.705 HD23 ' OG1' ' A' ' 66' ' ' THR . 0.3 OUTLIER -73.31 -7.09 50.11 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.976 0.797 . . . . 0.0 112.833 -178.26 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -101.23 14.83 30.72 Favored 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 115.642 -2.423 . . . . 0.0 112.034 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.58 16.52 80.14 Favored Glycine 0 C--N 1.298 -1.569 0 O-C-N 120.121 -1.612 . . . . 0.0 116.005 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -96.22 137.9 34.62 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 174.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.423 HG21 ' HD2' ' B' ' 4' ' ' PHE . 6.8 m -119.9 131.86 55.37 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 126.413 2.321 . . . . 0.0 106.263 176.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -109.46 141.77 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 127.702 3.127 . . . . 0.0 109.156 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.5 p -101.11 139.92 36.12 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 117.014 -1.874 . . . . 0.0 108.434 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.6 154.04 44.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 115.48 -2.2 . . . . 0.0 108.305 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.8 121.14 44.26 Favored 'General case' 0 N--CA 1.495 1.812 1 O-C-N 129.341 4.15 . . . . 0.0 103.52 174.086 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.06 170.57 15.92 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 O-C-N 127.841 3.213 . . . . 0.0 111.29 -177.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -119.98 144.65 38.0 Favored Pre-proline 0 C--N 1.313 -0.987 0 CA-C-N 112.14 -2.3 . . . . 0.0 106.349 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -54.93 -24.69 40.39 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 C-N-CA 122.72 2.28 . . . . 0.0 111.531 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -79.94 -8.15 59.17 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.943 -177.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.04 148.47 47.53 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.336 -1.745 . . . . 0.0 109.761 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.81 160.47 21.19 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 175.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.781 HG13 HD12 ' B' ' 50' ' ' LEU . 8.4 mm -61.38 -36.88 75.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 127.0 2.688 . . . . 0.0 110.367 175.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.07 -42.97 77.5 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 120.399 -1.438 . . . . 0.0 111.018 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -64.37 -44.58 90.94 Favored 'General case' 0 C--O 1.25 1.124 0 C-N-CA 124.246 1.018 . . . . 0.0 111.471 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 t -58.56 -46.35 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.314 -1.312 . . . . 0.0 108.956 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -60.66 -38.04 83.55 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.848 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.96 86.55 Favored 'General case' 0 C--O 1.277 2.515 0 O-C-N 123.451 0.47 . . . . 0.0 111.345 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -64.03 -37.4 87.3 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 120.51 -1.369 . . . . 0.0 110.888 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.5 mt -69.73 -39.76 78.39 Favored 'Isoleucine or valine' 0 C--O 1.254 1.3 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -61.94 -48.8 78.77 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 125.534 2.588 . . . . 0.0 109.045 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -41.84 66.3 Favored 'General case' 0 C--O 1.257 1.499 0 CA-C-N 113.651 -1.613 . . . . 0.0 111.887 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.326 1.8 tppp? -93.29 -24.45 18.14 Favored 'General case' 0 C--O 1.279 2.647 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.58 -6.31 8.09 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 122.886 2.585 . . . . 0.0 113.789 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.66 90.0 Favored Glycine 0 CA--C 1.477 -2.287 0 N-CA-C 118.762 2.265 . . . . 0.0 118.762 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 63.7 mt -79.96 124.97 82.84 Favored Pre-proline 0 C--O 1.243 0.727 0 C-N-CA 118.695 -1.202 . . . . 0.0 111.011 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.4 Cg_exo -57.08 136.9 79.36 Favored 'Trans proline' 0 C--O 1.256 1.407 0 C-N-CA 123.015 2.476 . . . . 0.0 110.924 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.1 Cg_exo -57.19 -32.14 92.64 Favored 'Trans proline' 0 C--O 1.261 1.661 0 O-C-N 123.028 1.015 . . . . 0.0 113.453 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -68.29 -15.63 63.64 Favored 'General case' 0 C--O 1.266 1.945 0 O-C-N 119.906 -1.746 . . . . 0.0 112.13 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.808 ' HB3' HD11 ' B' ' 71' ' ' LEU . 11.7 mm100 -95.42 -10.69 29.21 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 120.447 -1.408 . . . . 0.0 112.286 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -84.79 129.68 34.78 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 124.252 1.977 . . . . 0.0 115.728 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -121.21 116.09 24.26 Favored 'General case' 0 C--O 1.299 3.697 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 172.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.57 130.28 50.97 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 119.533 1.06 . . . . 0.0 110.003 -177.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.639 ' C ' ' CD1' ' B' ' 45' ' ' PHE . 2.3 mt -122.09 131.64 72.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 O-C-N 125.14 1.525 . . . . 0.0 112.003 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 1.003 ' O ' ' OH ' ' B' ' 59' ' ' TYR . 0.0 OUTLIER -144.24 129.82 19.07 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 177.504 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.468 ' HB3' ' OH ' ' B' ' 59' ' ' TYR . . . 48.12 45.95 19.56 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 111.967 -2.379 . . . . 0.0 110.649 177.392 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.9 20.25 59.71 Favored Glycine 0 C--N 1.3 -1.462 0 C-N-CA 128.207 2.813 . . . . 0.0 117.32 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' B' ' 59' ' ' TYR . 7.7 mtp180 -109.96 143.77 39.45 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 115.344 -2.265 . . . . 0.0 110.96 174.137 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' B' ' 50' ' ' LEU . 5.1 tm0? -87.14 130.32 34.57 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 103.991 -2.596 . . . . 0.0 103.991 173.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.839 HD23 ' CD1' ' B' ' 45' ' ' PHE . 1.1 mm? -79.62 138.48 37.43 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 117.674 -1.155 . . . . 0.0 110.068 -175.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -101.91 139.99 36.8 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 125.18 1.55 . . . . 0.0 109.957 -177.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.32 -41.97 29.82 Favored 'General case' 0 C--O 1.263 1.768 0 N-CA-C 120.738 3.607 . . . . 0.0 120.738 -175.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.24 -8.52 85.23 Favored Glycine 0 CA--C 1.492 -1.353 0 N-CA-C 116.025 1.17 . . . . 0.0 116.025 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -85.65 165.35 17.08 Favored 'General case' 0 C--O 1.25 1.089 0 O-C-N 120.12 -1.812 . . . . 0.0 107.95 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 34.8 p -104.44 164.57 11.65 Favored 'General case' 0 C--N 1.313 -1.022 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 177.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -36.3 79.53 Favored 'General case' 0 C--O 1.201 -1.471 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.3 m -63.68 -29.76 70.94 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.234 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.63 -39.08 70.35 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.518 1.151 . . . . 0.0 110.817 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 1.003 ' OH ' ' O ' ' B' ' 45' ' ' PHE . 14.5 t80 -91.06 4.51 51.93 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.876 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.92 45.38 18.34 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.759 2.072 . . . . 0.0 111.303 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.4 mt -88.78 116.24 30.07 Favored 'Isoleucine or valine' 0 C--O 1.271 2.196 0 CA-C-O 115.054 -2.403 . . . . 0.0 106.305 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.32 169.62 8.44 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 126.152 2.158 . . . . 0.0 109.759 -176.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 123.106 1.431 . . . . 0.0 109.217 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 66.94 19.17 10.63 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 174.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.4 t -118.94 126.62 52.19 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 118.189 -0.91 . . . . 0.0 108.829 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.844 HD22 ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -103.15 154.54 19.2 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 114.719 -2.562 . . . . 0.0 105.767 174.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -105.52 135.79 46.27 Favored 'General case' 0 C--N 1.283 -2.308 0 O-C-N 127.525 3.016 . . . . 0.0 105.734 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -107.18 115.78 30.77 Favored 'General case' 0 C--O 1.283 2.816 0 CA-C-O 117.639 -1.172 . . . . 0.0 111.42 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t -108.02 139.88 28.51 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 103.506 -2.776 . . . . 0.0 103.506 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.44 0.37 Allowed 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.079 0.466 . . . . 0.0 109.834 178.367 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.448 ' HB2' ' H ' ' C' ' 102' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.277 -2.546 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.48 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.589 0.709 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -89.09 137.88 31.92 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.535 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 75.3 mt -70.19 -39.59 75.12 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.646 0.736 . . . . 0.0 111.873 172.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 39.0 t -144.3 136.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 125.197 1.399 . . . . 0.0 107.464 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.37 148.06 34.22 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.59 165.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -161.06 155.18 22.74 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.248 0.968 . . . . 0.0 111.242 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.21 127.81 33.72 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.316 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.22 147.71 6.69 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.048 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.83 25.08 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.276 -1.929 . . . . 0.0 108.276 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.07 -179.25 3.8 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 31' ' ' MET . . . . . 0.788 ' HG2' ' HB3' ' C' ' 106' ' ' PHE . 0.0 OUTLIER -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 32' ' ' SER . . . . . 0.508 ' N ' ' SD ' ' C' ' 31' ' ' MET . 26.0 t -136.64 156.57 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.108 -1.437 . . . . 0.0 108.781 177.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.78 116.1 28.72 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -112.28 115.82 29.39 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 172.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.32 -116.05 8.61 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 11.6 t -113.97 14.52 18.46 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.378 -0.411 . . . . 0.0 109.958 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -112.01 122.51 47.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -172.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.505 HG23 ' O ' ' C' ' 38' ' ' VAL . 35.2 m -76.14 119.97 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 174.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 54.5 m -124.14 119.37 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.161 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.86 134.79 59.21 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 117.959 -0.894 . . . . 0.0 111.855 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -85.81 132.21 34.16 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 172.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -11.3 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -172.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 144.39 56.16 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 171.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 45' ' ' GLY . . . . . 0.461 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.29 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.299 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -128.41 124.38 36.15 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 65.9 t -91.03 137.59 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 164.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -151.94 157.85 42.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.918 0.866 . . . . 0.0 113.041 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 55.3 mt -118.8 131.05 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 113.577 -1.647 . . . . 0.0 108.341 174.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -133.98 137.6 44.9 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.348 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -100.23 122.01 42.37 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 170.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 67.8 p -84.01 171.17 13.2 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.268 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -71.58 -10.44 59.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.677 -0.809 . . . . 0.0 113.165 -170.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.85 -1.35 3.09 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.419 1.487 . . . . 0.0 114.671 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mp -74.83 149.9 39.46 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.124 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 4.1 mm -102.21 129.02 54.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.6 m170 -117.56 125.34 50.64 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -176.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -98.75 118.96 36.67 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 171.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 29.8 m -127.71 156.92 41.63 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 61' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.55 128.21 40.65 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.554 -1.657 . . . . 0.0 108.715 169.371 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -120.59 134.27 55.3 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.805 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.18 115.3 13.52 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 173.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -64.03 -32.39 73.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 80.8 p -72.53 -46.1 56.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 1.3 p -91.49 -20.48 21.69 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.597 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.74 60.89 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.723 -171.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -72.48 129.99 39.62 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.17 109.16 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.51 -28.83 15.24 Favored 'General case' 0 C--O 1.206 -1.236 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.984 -171.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -122.02 135.53 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.838 0.828 . . . . 0.0 109.386 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.97 103.3 2.39 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.02 123.25 45.23 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.259 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mt -75.87 124.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.391 1.091 . . . . 0.0 111.661 168.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 47.5 mm -122.97 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.381 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.607 -174.391 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 76' ' ' PHE . . . . . 0.546 ' HB2' HD11 ' A' ' 44' ' ' ILE . 4.8 m-85 -101.29 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 124.36 1.038 . . . . 0.0 110.861 173.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.33 133.91 58.37 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.861 2.374 . . . . 0.0 111.371 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.57 6.72 5.85 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -175.684 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -70.29 -33.7 71.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 119.008 0.822 . . . . 0.0 109.617 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -154.87 168.14 27.9 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.477 -1.289 . . . . 0.0 113.601 -173.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -133.41 139.34 46.7 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.468 -1.696 . . . . 0.0 106.998 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.466 ' CD1' HG21 ' C' ' 124' ' ' VAL . 4.7 t80 -106.79 124.17 49.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.51 156.53 42.57 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -177.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -67.85 142.9 55.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.01 -0.995 . . . . 0.0 108.408 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 85' ' ' VAL . . . . . 0.851 ' HB ' HG23 ' C' ' 93' ' ' VAL . 2.6 t -94.33 98.39 2.93 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -61.0 -32.0 91.87 Favored 'Trans proline' 0 N--CA 1.476 0.45 0 N-CA-C 117.796 2.191 . . . . 0.0 117.796 -167.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -91.09 8.61 34.67 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.207 -164.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 88' ' ' CYS . . . . . 0.455 ' HB2' HG21 ' C' ' 93' ' ' VAL . 0.5 OUTLIER -85.07 119.6 72.66 Favored Pre-proline 0 CA--C 1.516 -0.351 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.545 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.92 -19.91 34.07 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.033 1.018 . . . . 0.0 114.425 -173.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -34.66 78.8 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.399 0.545 . . . . 0.0 110.06 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.51 13.0 64.84 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.529 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -121.0 17.11 11.71 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 93' ' ' VAL . . . . . 0.851 HG23 ' HB ' ' C' ' 85' ' ' VAL . 24.7 m -97.07 133.43 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 173.665 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -125.06 151.77 45.21 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 125.552 1.783 . . . . 0.0 110.43 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.93 135.4 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.52 108.08 20.29 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -109.21 125.11 51.88 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -171.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -84.74 115.7 22.84 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.066 0.854 . . . . 0.0 109.199 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 99' ' ' LYS . . . . . 0.528 ' HD3' HD13 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.43 -25.16 68.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.353 -169.592 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.34 115.18 28.86 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 173.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.89 172.41 27.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 -172.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 102' ' ' SER . . . . . 0.448 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 0.1 OUTLIER -91.42 9.06 33.31 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.042 -0.681 . . . . 0.0 110.562 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 tppm? -70.7 129.17 38.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 117.928 -1.509 . . . . 0.0 110.496 -165.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.8 46.19 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.94 175.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 61.5 mt -124.51 126.12 45.33 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 171.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 106' ' ' PHE . . . . . 0.788 ' HB3' ' HG2' ' C' ' 31' ' ' MET . 0.1 OUTLIER -100.83 143.67 30.7 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 124.674 1.234 . . . . 0.0 110.289 -177.515 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 107' ' ' PHE . . . . . 0.49 ' N ' ' CD1' ' C' ' 106' ' ' PHE . 82.4 m-85 -137.09 156.68 48.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.262 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 17.4 t90 -131.43 126.55 35.41 Favored 'General case' 0 N--CA 1.419 -1.993 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.389 175.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 15.1 mmt -62.66 137.82 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.278 -174.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -118.91 3.96 11.5 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.216 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.31 135.86 93.87 Favored Pre-proline 0 C--O 1.265 1.913 0 CA-C-O 123.058 1.408 . . . . 0.0 108.665 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.21 -41.41 42.84 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.636 -1.109 . . . . 0.0 112.426 -174.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.6 p -83.4 -9.27 59.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.231 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -53.54 -33.84 56.05 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.389 0.676 . . . . 0.0 112.797 -169.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -103.26 5.97 37.84 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -56.95 -48.8 77.47 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 118.983 -1.087 . . . . 0.0 110.212 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.87 -32.16 70.38 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 119.396 -0.922 . . . . 0.0 110.511 -173.372 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -67.38 -44.0 79.99 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 175.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -55.6 -45.91 77.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.025 -1.047 . . . . 0.0 112.264 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 121' ' ' CYS . . . . . 0.726 ' O ' ' CG1' ' C' ' 124' ' ' VAL . 0.0 OUTLIER -60.61 -43.0 97.94 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.705 0.765 . . . . 0.0 110.336 179.035 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -61.98 -43.47 98.77 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.05 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -42.37 96.66 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 124' ' ' VAL . . . . . 0.726 ' CG1' ' O ' ' C' ' 121' ' ' CYS . 1.4 p -52.27 -51.92 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.42 175.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 125' ' ' ASN . . . . . 0.515 ' HA ' HD23 ' C' ' 128' ' ' LEU . 5.0 t-20 -60.34 -39.47 87.21 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.29 -45.97 82.27 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.526 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -79.09 -24.42 43.47 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.35 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.04 -36.14 41.52 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.794 -0.763 . . . . 0.0 112.24 174.511 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 129' ' ' ASN . . . . . 0.466 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.0 OUTLIER -110.74 -11.07 14.44 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -168.581 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -141.18 71.93 27.29 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 169.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.28 167.59 19.35 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 121.592 1.528 . . . . 0.0 111.58 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--N 1.29 -2.522 0 C-N-CA 122.497 2.131 . . . . 0.0 111.656 179.87 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mmm . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -91.12 138.21 31.77 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 126.824 2.577 . . . . 0.0 108.936 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -131.27 163.03 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.361 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CE2' HG22 ' A' ' 14' ' ' THR . 0.2 OUTLIER -115.99 140.18 49.51 Favored 'General case' 0 N--CA 1.513 2.695 1 O-C-N 130.543 4.902 . . . . 0.0 108.725 179.694 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.801 ' CB ' HD21 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -118.01 114.21 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-O 113.357 -3.211 . . . . 0.0 105.591 175.745 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -95.22 127.58 41.38 Favored 'General case' 0 N--CA 1.505 2.3 1 O-C-N 129.422 4.201 . . . . 0.0 107.932 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -99.64 170.84 8.3 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.314 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.38 -6.99 49.78 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.057 0.848 . . . . 0.0 112.65 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -101.58 15.1 29.95 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 115.711 -2.395 . . . . 0.0 111.965 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.31 16.83 80.09 Favored Glycine 0 C--N 1.296 -1.644 0 O-C-N 120.222 -1.549 . . . . 0.0 116.033 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 138.18 34.49 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 174.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.08 131.65 55.16 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.624 2.453 . . . . 0.0 105.913 176.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.7 mm -109.57 141.91 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 127.678 3.111 . . . . 0.0 108.884 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.443 HG22 ' CE2' ' A' ' 4' ' ' PHE . 1.3 p -101.39 139.68 36.71 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 117.162 -1.815 . . . . 0.0 108.151 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mt -126.41 154.08 44.11 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 115.434 -2.222 . . . . 0.0 108.371 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -111.88 121.03 43.92 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.293 4.12 . . . . 0.0 103.63 174.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 m -138.92 170.69 15.89 Favored 'Isoleucine or valine' 0 C--O 1.255 1.382 0 O-C-N 127.529 3.018 . . . . 0.0 111.222 -177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -119.97 144.44 37.51 Favored Pre-proline 0 C--N 1.315 -0.929 0 CA-C-N 112.35 -2.204 . . . . 0.0 106.3 174.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -54.96 -24.28 38.69 Favored 'Trans proline' 0 C--N 1.322 -0.862 0 C-N-CA 122.445 2.096 . . . . 0.0 112.008 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 p -80.09 -8.07 59.2 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.905 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.05 148.44 47.55 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 117.457 -1.697 . . . . 0.0 109.835 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -83.81 160.49 21.19 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.689 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -61.45 -37.04 76.83 Favored 'Isoleucine or valine' 0 C--O 1.245 0.832 0 O-C-N 127.155 2.784 . . . . 0.0 110.253 175.871 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.61 -40.23 78.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.384 -0.823 . . . . 0.0 110.7 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.23 -41.98 80.44 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 121.828 -0.545 . . . . 0.0 110.96 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.18 -46.42 88.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -60.91 -37.83 83.62 Favored 'General case' 0 C--O 1.259 1.585 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.678 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.15 87.39 Favored 'General case' 0 C--O 1.277 2.502 0 CA-C-N 118.116 0.417 . . . . 0.0 111.142 176.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -64.05 -37.49 87.63 Favored 'General case' 0 C--O 1.253 1.287 0 CA-C-O 123.087 1.423 . . . . 0.0 110.721 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -39.52 77.51 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.26 -48.71 78.7 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 125.539 2.59 . . . . 0.0 109.078 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.23 -41.77 65.72 Favored 'General case' 0 C--O 1.253 1.239 0 CA-C-N 113.415 -1.72 . . . . 0.0 111.925 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 0.0 OUTLIER -93.63 -24.16 18.0 Favored 'General case' 0 C--O 1.281 2.756 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -175.854 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.44 -6.47 8.17 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 123.132 2.696 . . . . 0.0 114.252 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.76 89.93 Favored Glycine 0 CA--C 1.478 -2.254 0 N-CA-C 118.916 2.327 . . . . 0.0 118.916 176.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 39.0 mt -79.77 124.71 83.3 Favored Pre-proline 0 C--O 1.244 0.813 0 C-N-CA 118.908 -1.117 . . . . 0.0 110.936 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 82.2 Cg_exo -56.88 136.84 78.83 Favored 'Trans proline' 0 C--O 1.257 1.468 0 C-N-CA 123.317 2.678 . . . . 0.0 110.877 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.8 Cg_exo -57.17 -31.97 92.1 Favored 'Trans proline' 0 C--O 1.263 1.765 0 O-C-N 123.031 1.016 . . . . 0.0 113.665 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -15.4 63.53 Favored 'General case' 0 C--O 1.262 1.717 0 O-C-N 119.787 -1.821 . . . . 0.0 112.235 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.89 -10.33 29.08 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 120.639 -1.288 . . . . 0.0 112.026 178.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.85 129.61 34.79 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 124.305 2.002 . . . . 0.0 115.754 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.06 116.02 24.23 Favored 'General case' 0 C--O 1.299 3.686 0 N-CA-C 104.983 -2.229 . . . . 0.0 104.983 171.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' C ' HD13 ' A' ' 44' ' ' ILE . 1.4 mp -103.48 130.21 50.79 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 119.504 1.047 . . . . 0.0 109.962 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.434 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -122.11 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.844 0 O-C-N 125.183 1.552 . . . . 0.0 111.846 -177.513 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -144.36 129.52 18.66 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.18 19.42 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.283 -2.235 . . . . 0.0 110.704 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 21.8 60.83 Favored Glycine 0 N--CA 1.432 -1.578 0 C-N-CA 128.674 3.035 . . . . 0.0 117.459 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.09 142.84 46.1 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -85.9 130.22 34.61 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 103.764 -2.68 . . . . 0.0 103.764 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 23' ' ' ILE . 4.9 mt -79.5 138.15 37.45 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 117.705 -1.14 . . . . 0.0 110.139 -175.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -101.68 140.08 36.46 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.087 1.492 . . . . 0.0 109.974 -177.704 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.689 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 40.2 m-20 -47.97 -42.56 27.99 Favored 'General case' 0 C--O 1.264 1.819 0 N-CA-C 120.8 3.63 . . . . 0.0 120.8 -175.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.58 -8.87 85.52 Favored Glycine 0 CA--C 1.489 -1.549 0 N-CA-C 116.274 1.27 . . . . 0.0 116.274 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 23' ' ' ILE . 5.7 mmt-85 -85.46 165.4 17.19 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 119.735 -2.038 . . . . 0.0 107.993 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.1 p -104.5 164.86 11.45 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.64 -36.04 79.65 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.0 p -64.17 -29.38 70.5 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 117.284 -1.766 . . . . 0.0 112.182 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.57 -39.6 70.88 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 122.314 1.054 . . . . 0.0 110.59 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -90.78 4.7 50.93 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 117.704 -1.141 . . . . 0.0 112.977 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.0 45.22 18.34 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.643 2.019 . . . . 0.0 111.243 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.7 mt -88.62 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.266 1.973 0 CA-C-O 115.087 -2.387 . . . . 0.0 106.246 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.51 169.7 8.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 126.159 2.162 . . . . 0.0 109.348 -176.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -54.93 142.89 27.97 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 123.24 1.495 . . . . 0.0 109.117 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.455 ' CG ' HG22 ' B' ' 9' ' ' THR . 20.6 mt-10 67.18 19.06 10.4 Favored 'General case' 0 C--O 1.254 1.298 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -71.12 159.63 34.35 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.469 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.8 OUTLIER -119.25 126.74 52.21 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 118.239 -0.886 . . . . 0.0 108.76 175.814 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.13 154.51 19.22 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 114.776 -2.535 . . . . 0.0 105.649 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.6 ' C ' HD13 ' A' ' 69' ' ' LEU . 1.8 m-70 -105.59 135.6 46.71 Favored 'General case' 0 C--N 1.286 -2.153 0 O-C-N 127.387 2.93 . . . . 0.0 105.918 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.801 HD21 ' CB ' ' A' ' 5' ' ' VAL . 0.5 OUTLIER -106.87 115.78 30.79 Favored 'General case' 0 C--O 1.285 2.969 0 CA-C-O 117.617 -1.183 . . . . 0.0 111.445 176.701 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.1 t -108.0 139.88 28.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 103.62 -2.733 . . . . 0.0 103.62 174.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.01 138.95 32.91 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.283 0.564 . . . . 0.0 109.856 178.242 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.505 0 CA-C-O 113.12 -3.324 . . . . 0.0 105.611 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.98 138.51 31.55 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 127.194 2.809 . . . . 0.0 108.818 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.0 pt -131.2 163.04 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 CA-C-O 115.793 -2.051 . . . . 0.0 105.886 173.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.92 140.16 49.52 Favored 'General case' 0 N--CA 1.514 2.757 1 O-C-N 130.585 4.928 . . . . 0.0 108.611 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.556 HG13 HG23 ' B' ' 13' ' ' ILE . 0.2 OUTLIER -117.97 114.13 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-O 113.482 -3.151 . . . . 0.0 105.71 175.537 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -95.12 127.72 41.39 Favored 'General case' 0 N--CA 1.501 2.106 1 O-C-N 129.133 4.021 . . . . 0.0 108.194 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.69 170.81 8.31 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.249 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.531 HD21 ' HA ' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -73.33 -7.05 49.98 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 124.128 0.893 . . . . 0.0 112.852 -178.277 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.455 HG22 ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -101.14 14.82 30.74 Favored 'General case' 0 N--CA 1.506 2.364 0 C-N-CA 115.685 -2.406 . . . . 0.0 112.027 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.56 80.18 Favored Glycine 0 C--N 1.295 -1.713 0 O-C-N 120.271 -1.518 . . . . 0.0 116.103 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -96.21 137.9 34.6 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.5 t -119.86 131.89 55.4 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 126.419 2.324 . . . . 0.0 106.209 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.556 HG23 HG13 ' B' ' 5' ' ' VAL . 0.0 OUTLIER -109.48 141.76 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 127.777 3.173 . . . . 0.0 109.13 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -101.21 139.91 36.24 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 116.958 -1.897 . . . . 0.0 108.343 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mp -126.53 154.05 44.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 115.401 -2.238 . . . . 0.0 108.45 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -111.82 121.24 44.51 Favored 'General case' 0 N--CA 1.496 1.831 1 O-C-N 129.261 4.101 . . . . 0.0 103.542 174.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.05 170.64 15.83 Favored 'Isoleucine or valine' 0 C--O 1.253 1.267 0 O-C-N 127.79 3.181 . . . . 0.0 111.157 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -120.1 144.62 38.13 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 112.079 -2.328 . . . . 0.0 106.306 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -54.81 -24.88 40.3 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 122.742 2.295 . . . . 0.0 111.532 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -8.2 59.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.913 -177.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.09 148.5 47.41 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 117.279 -1.769 . . . . 0.0 109.758 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.8 p -83.8 160.47 21.2 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.679 HD12 ' O ' ' B' ' 54' ' ' ARG . 1.7 mp -61.47 -36.7 74.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 126.906 2.629 . . . . 0.0 110.398 175.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.787 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.14 -42.94 77.72 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 120.355 -1.466 . . . . 0.0 111.008 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -64.46 -44.47 90.98 Favored 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.215 1.006 . . . . 0.0 111.415 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.68 -46.28 90.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.894 1.371 . . . . 0.0 108.948 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -60.65 -38.05 83.56 Favored 'General case' 0 C--O 1.255 1.377 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.864 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.97 86.62 Favored 'General case' 0 C--O 1.277 2.504 0 O-C-N 123.414 0.446 . . . . 0.0 111.35 176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -37.39 87.24 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 120.505 -1.372 . . . . 0.0 110.892 175.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 15.7 mt -69.83 -39.75 78.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.319 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -48.91 78.35 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 125.502 2.572 . . . . 0.0 108.923 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -53.38 -41.77 66.24 Favored 'General case' 0 C--O 1.256 1.428 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.853 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 0.0 OUTLIER -93.44 -24.37 18.06 Favored 'General case' 0 C--O 1.28 2.697 0 N-CA-C 117.182 2.29 . . . . 0.0 117.182 -175.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.6 -6.3 8.08 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 122.906 2.594 . . . . 0.0 113.792 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.63 90.02 Favored Glycine 0 CA--C 1.476 -2.402 0 N-CA-C 118.767 2.267 . . . . 0.0 118.767 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.489 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 26.6 mt -79.85 125.01 83.01 Favored Pre-proline 0 C--O 1.243 0.712 0 C-N-CA 118.673 -1.211 . . . . 0.0 111.04 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 79.7 Cg_exo -57.1 137.03 80.07 Favored 'Trans proline' 0 C--O 1.257 1.429 0 C-N-CA 122.952 2.435 . . . . 0.0 110.91 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.2 Cg_exo -57.25 -32.17 92.86 Favored 'Trans proline' 0 C--O 1.26 1.618 0 O-C-N 123.09 1.047 . . . . 0.0 113.366 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -68.36 -15.49 63.58 Favored 'General case' 0 C--O 1.265 1.874 0 O-C-N 120.035 -1.665 . . . . 0.0 112.155 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.545 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.54 -10.63 29.12 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.497 -1.377 . . . . 0.0 112.201 178.442 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -84.88 129.65 34.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 124.246 1.974 . . . . 0.0 115.717 -177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -121.1 116.11 24.37 Favored 'General case' 0 C--O 1.298 3.639 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 172.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.469 ' HB3' HD13 ' B' ' 67' ' ' LEU . 7.7 mt -103.58 130.2 50.97 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 119.474 1.034 . . . . 0.0 110.025 -177.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.575 ' C ' ' CD1' ' B' ' 45' ' ' PHE . 0.1 OUTLIER -121.84 131.55 72.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.68 0 O-C-N 125.159 1.537 . . . . 0.0 112.109 -177.578 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.93 ' CZ ' HD22 ' B' ' 50' ' ' LEU . 0.0 OUTLIER -144.17 129.78 19.11 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.426 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 45.93 19.78 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 112.068 -2.333 . . . . 0.0 110.719 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 20.26 59.55 Favored Glycine 0 C--N 1.297 -1.591 0 C-N-CA 128.352 2.882 . . . . 0.0 117.346 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -109.88 143.79 39.28 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 115.391 -2.243 . . . . 0.0 110.921 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.1 130.3 34.56 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 104.068 -2.568 . . . . 0.0 104.068 173.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.93 HD22 ' CZ ' ' B' ' 45' ' ' PHE . 0.8 OUTLIER -79.59 138.48 37.47 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 117.54 -1.219 . . . . 0.0 110.049 -175.797 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -101.94 140.04 36.76 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 125.302 1.626 . . . . 0.0 109.958 -177.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.787 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.4 OUTLIER -48.31 -42.01 29.82 Favored 'General case' 0 C--O 1.261 1.708 0 N-CA-C 120.756 3.613 . . . . 0.0 120.756 -175.744 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.58 85.1 Favored Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.679 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -85.61 165.26 17.17 Favored 'General case' 0 C--O 1.249 1.061 0 O-C-N 120.14 -1.8 . . . . 0.0 108.006 176.42 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 22.1 p -104.26 164.53 11.66 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.05 -36.52 79.79 Favored 'General case' 0 C--O 1.2 -1.51 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 72.5 p -63.57 -29.78 70.98 Favored 'General case' 0 C--O 1.266 1.96 0 C-N-CA 117.257 -1.777 . . . . 0.0 112.227 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -38.91 70.24 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 122.582 1.182 . . . . 0.0 110.899 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -91.17 4.5 52.08 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.631 -1.176 . . . . 0.0 112.912 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.92 45.43 18.27 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 121.687 2.04 . . . . 0.0 111.241 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.5 mm -88.71 116.29 30.12 Favored 'Isoleucine or valine' 0 C--O 1.27 2.171 0 CA-C-O 114.979 -2.439 . . . . 0.0 106.25 175.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 126.183 2.177 . . . . 0.0 109.706 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -54.86 142.93 27.49 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 123.178 1.465 . . . . 0.0 109.315 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.07 19.03 10.54 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.871 2.545 . . . . 0.0 117.871 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 6.1 t -71.04 159.63 34.39 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.04 126.62 52.12 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 118.165 -0.921 . . . . 0.0 108.776 175.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.497 ' CB ' ' CE2' ' B' ' 45' ' ' PHE . 1.5 pp -103.24 154.54 19.24 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 114.795 -2.526 . . . . 0.0 105.715 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.447 ' C ' HD12 ' B' ' 67' ' ' LEU . 0.9 OUTLIER -105.53 135.75 46.37 Favored 'General case' 0 C--N 1.284 -2.246 0 O-C-N 127.522 3.014 . . . . 0.0 105.742 178.011 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.04 115.8 30.82 Favored 'General case' 0 C--O 1.283 2.868 0 CA-C-O 117.696 -1.145 . . . . 0.0 111.462 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.531 ' HA ' HD21 ' B' ' 8' ' ' LEU . 46.3 t -108.05 139.97 28.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 103.449 -2.797 . . . . 0.0 103.449 175.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.582 ' C ' HD23 ' B' ' 71' ' ' LEU . 3.3 tt -96.2 -83.49 0.37 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.442 ' HA ' ' HA2' ' C' ' 101' ' ' GLY . 9.0 ttp85 . . . . . 0 C--N 1.277 -2.577 0 CA-C-O 113.4 -3.19 . . . . 0.0 105.405 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 121.656 0.741 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.06 137.95 31.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.536 -178.572 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.25 -39.57 74.95 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.662 0.744 . . . . 0.0 111.885 172.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 t -144.39 136.1 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 125.164 1.386 . . . . 0.0 107.413 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -144.29 148.12 34.41 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.574 165.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -161.05 155.19 22.79 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 124.222 0.951 . . . . 0.0 111.181 173.126 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.23 127.8 33.69 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.336 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.17 147.77 6.78 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.07 0.938 . . . . 0.0 110.057 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.92 25.14 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -179.27 3.79 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' MET . . . . . 0.54 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.13 161.04 37.22 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 32' ' ' SER . . . . . 0.54 ' N ' ' HG2' ' C' ' 31' ' ' MET . 12.5 p -136.66 156.56 48.37 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.042 -1.463 . . . . 0.0 108.75 177.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 mp -92.74 116.16 28.77 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -112.37 115.8 29.31 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -113.99 14.49 18.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.903 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -111.99 122.55 48.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.504 HG23 ' O ' ' C' ' 38' ' ' VAL . 35.2 m -76.14 120.03 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 174.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 59.4 m -124.05 119.31 26.6 Favored Pre-proline 0 C--O 1.245 0.846 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.216 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.89 134.9 59.76 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 CA-C-O 122.38 0.908 . . . . 0.0 111.828 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.77 132.15 34.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -11.24 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -172.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -67.12 144.44 56.08 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -173.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -68.15 125.55 26.73 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.3 171.35 21.52 Favored Glycine 0 C--N 1.317 -0.519 0 CA-C-O 123.2 1.445 . . . . 0.0 115.377 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 15.0 tp -128.44 124.37 36.06 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 175.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 45.4 t -91.03 137.52 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 164.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -151.84 157.8 42.38 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.991 0.9 . . . . 0.0 113.055 175.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 9.3 mt -118.86 131.07 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.572 -1.649 . . . . 0.0 108.327 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -134.05 137.6 44.78 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.38 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -100.18 122.06 42.42 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 170.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 14.7 p -83.97 171.08 13.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.321 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -10.37 59.66 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -170.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.71 7.43 14.95 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.283 -0.167 . . . . 0.0 111.003 170.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t 73.91 -1.35 3.09 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.387 1.475 . . . . 0.0 114.724 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.87 149.93 39.37 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 122.226 1.013 . . . . 0.0 113.082 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -102.24 129.15 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.116 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 12.3 m-70 -117.65 125.35 50.57 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -176.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -98.84 118.94 36.73 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 171.217 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 93.4 m -127.62 156.9 41.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -171.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -130.55 128.19 40.62 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.715 169.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -120.63 134.34 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.753 -176.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.21 115.31 13.57 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 173.337 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -64.01 -32.45 74.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 73.9 p -72.45 -46.17 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -175.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.46 -20.47 21.73 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.512 -176.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 2.72 60.53 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 39.5 t -84.19 109.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -94.52 -28.87 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.947 -171.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -121.94 135.6 54.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.808 0.813 . . . . 0.0 109.413 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -155.06 103.32 2.38 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 104.471 -2.418 . . . . 0.0 104.471 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.08 123.23 45.12 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.236 -174.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 23.7 pt -75.82 124.34 33.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.399 1.095 . . . . 0.0 111.661 168.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 16.1 mm -123.0 130.32 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.36 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.569 -174.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.26 159.05 30.58 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.498 1.124 . . . . 0.0 110.866 173.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.37 133.89 58.41 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.932 2.421 . . . . 0.0 111.282 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.54 6.79 5.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -175.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.36 -33.67 71.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.975 0.807 . . . . 0.0 109.543 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.401 ' SG ' HD21 ' C' ' 96' ' ' LEU . 26.6 p -154.9 168.22 27.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.481 -1.288 . . . . 0.0 113.639 -173.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -133.52 139.21 46.5 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.002 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -106.68 124.21 49.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -148.58 156.48 42.47 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -67.83 142.82 56.04 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.966 -1.015 . . . . 0.0 108.344 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 45.5 t -94.19 98.34 2.84 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 171.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -61.08 -31.95 91.21 Favored 'Trans proline' 0 C--N 1.328 -0.527 0 N-CA-C 117.745 2.171 . . . . 0.0 117.745 -167.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -91.05 8.6 34.65 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 117.868 -1.533 . . . . 0.0 112.236 -164.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 88' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 24.8 p -85.06 119.67 72.75 Favored Pre-proline 0 CA--C 1.515 -0.404 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.94 -19.92 34.22 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.425 -173.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 5.0 m -65.51 -34.61 78.68 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.406 0.548 . . . . 0.0 110.062 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.45 13.03 64.76 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.57 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -120.98 17.14 11.73 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 93' ' ' VAL . . . . . 0.646 HG22 ' CE3' ' C' ' 108' ' ' TRP . 16.3 t -97.14 133.53 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -125.1 151.77 45.26 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.514 1.759 . . . . 0.0 110.36 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 95' ' ' VAL . . . . . 0.445 HG22 ' HG3' ' C' ' 97' ' ' LYS . 8.2 p -127.01 135.36 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 96' ' ' LEU . . . . . 0.476 HD13 ' C ' ' C' ' 96' ' ' LEU . 3.4 tm? -95.49 108.15 20.36 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.115 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 97' ' ' LYS . . . . . 0.445 ' HG3' HG22 ' C' ' 95' ' ' VAL . 0.0 OUTLIER -109.28 125.2 52.04 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -171.097 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -84.79 115.64 22.83 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 124.154 0.909 . . . . 0.0 109.222 176.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -63.41 -25.18 68.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.412 -169.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.22 115.1 28.78 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 101' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' B' ' 72' ' ' ARG . . . 102.0 172.44 27.6 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -172.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 6.8 m -91.4 9.01 33.49 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 122.042 -0.681 . . . . 0.0 110.497 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -70.56 129.22 38.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.614 -165.033 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 141.81 46.05 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.869 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.58 126.18 45.37 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 171.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 106' ' ' PHE . . . . . 0.423 ' HB2' ' SD ' ' C' ' 31' ' ' MET . 30.8 m-85 -100.87 143.73 30.66 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.68 1.237 . . . . 0.0 110.339 -177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 107' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' C' ' 108' ' ' TRP . 92.6 m-85 -137.17 156.61 48.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.233 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 108' ' ' TRP . . . . . 0.646 ' CE3' HG22 ' C' ' 93' ' ' VAL . 1.7 m0 -131.4 126.67 35.76 Favored 'General case' 0 N--CA 1.419 -1.979 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.45 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 109' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' C' ' 109' ' ' MET . 4.8 tmm? -62.7 137.78 58.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.272 -174.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -118.86 3.93 11.54 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.274 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 111' ' ' GLU . . . . . 0.431 ' O ' ' SD ' ' C' ' 109' ' ' MET . 8.8 tp10 -61.33 135.89 93.91 Favored Pre-proline 0 C--O 1.264 1.838 0 CA-C-O 123.165 1.46 . . . . 0.0 108.628 173.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.32 -41.27 42.99 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.559 -1.161 . . . . 0.0 112.447 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.12 146.96 24.22 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.513 173.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 11.9 t -83.53 -9.18 59.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.137 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -53.64 -33.75 56.24 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 123.37 0.668 . . . . 0.0 112.786 -169.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.23 5.81 37.83 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -174.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.307 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -69.84 -32.28 70.6 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.505 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -44.02 80.35 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-O 120.836 0.35 . . . . 0.0 110.949 175.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -55.59 -45.91 77.34 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.029 -1.044 . . . . 0.0 112.322 173.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 27.0 t -60.58 -43.08 97.73 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.712 0.768 . . . . 0.0 110.333 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -43.43 98.86 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.079 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -64.2 -42.32 96.7 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 15.8 t -52.23 -51.94 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.406 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 125' ' ' ASN . . . . . 0.506 ' HA ' HD23 ' C' ' 128' ' ' LEU . 0.4 OUTLIER -60.35 -39.53 87.48 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.773 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -45.94 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.477 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -79.07 -24.49 43.48 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.482 -0.887 . . . . 0.0 112.325 -174.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.07 -36.1 41.4 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.791 -0.764 . . . . 0.0 112.19 174.562 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 129' ' ' ASN . . . . . 0.449 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.78 -11.13 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -168.507 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -141.13 71.76 27.69 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 169.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -46.95 167.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.616 1.544 . . . . 0.0 111.59 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 0 C--N 1.291 -2.497 0 C-N-CA 122.517 2.145 . . . . 0.0 111.607 179.786 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -91.04 138.21 31.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 126.8 2.562 . . . . 0.0 108.92 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.4 pt -131.2 163.06 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.364 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 1.238 ' CZ ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -116.02 140.19 49.51 Favored 'General case' 0 N--CA 1.513 2.709 1 O-C-N 130.527 4.892 . . . . 0.0 108.8 179.627 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.04 114.29 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-O 113.42 -3.181 . . . . 0.0 105.545 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 1.238 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -95.24 127.63 41.44 Favored 'General case' 0 N--CA 1.505 2.325 1 O-C-N 129.297 4.123 . . . . 0.0 107.926 -178.22 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 11' ' ' LYS . 9.4 t -99.63 170.7 8.4 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.407 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.451 HD22 ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -73.29 -6.92 49.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.221 0.95 . . . . 0.0 112.716 -178.014 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.522 ' H ' HG23 ' A' ' 7' ' ' THR . 0.7 OUTLIER -101.59 14.92 30.52 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.69 -2.404 . . . . 0.0 111.897 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.76 80.11 Favored Glycine 0 C--N 1.298 -1.544 0 O-C-N 120.181 -1.574 . . . . 0.0 116.107 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.702 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.47 138.15 34.49 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 174.931 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.568 ' HB ' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -119.98 131.72 55.26 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.606 2.441 . . . . 0.0 105.948 176.321 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.54 141.87 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 127.698 3.124 . . . . 0.0 108.936 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 t -101.42 139.68 36.75 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 117.169 -1.813 . . . . 0.0 108.169 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -126.39 153.99 44.2 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 115.432 -2.223 . . . . 0.0 108.345 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -111.79 121.05 44.02 Favored 'General case' 0 N--CA 1.499 2.006 1 O-C-N 129.26 4.1 . . . . 0.0 103.719 173.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.514 HG11 HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -138.99 170.57 15.99 Favored 'Isoleucine or valine' 0 C--O 1.255 1.353 0 O-C-N 127.537 3.023 . . . . 0.0 111.165 -177.829 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' ' OD2' ' A' ' 21' ' ' ASP . 2.1 pt-20 -119.9 144.49 37.52 Favored Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 112.353 -2.203 . . . . 0.0 106.381 174.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -55.09 -24.2 39.4 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.502 2.135 . . . . 0.0 111.94 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 p -80.12 -8.02 59.2 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.881 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.448 ' OD2' ' O ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -71.11 148.5 47.39 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 117.423 -1.711 . . . . 0.0 109.762 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.658 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.5 p -83.74 160.58 21.24 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 175.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.573 ' O ' HG22 ' A' ' 26' ' ' VAL . 14.1 mm -61.6 -37.01 76.91 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 O-C-N 127.065 2.728 . . . . 0.0 110.25 175.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.57 -40.18 78.37 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.221 -0.924 . . . . 0.0 110.779 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.26 -41.99 80.29 Favored 'General case' 0 C--O 1.263 1.805 0 O-C-N 121.816 -0.553 . . . . 0.0 110.978 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -58.2 -46.4 88.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 O-C-N 124.492 1.12 . . . . 0.0 109.192 178.146 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.805 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 6.7 mtpp -60.83 -37.93 83.71 Favored 'General case' 0 C--O 1.259 1.566 0 CA-C-O 118.866 -0.588 . . . . 0.0 110.682 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.13 -38.14 87.42 Favored 'General case' 0 C--O 1.277 2.534 0 CA-C-N 118.094 0.406 . . . . 0.0 111.156 176.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -64.11 -37.44 87.44 Favored 'General case' 0 C--O 1.255 1.351 0 CA-C-O 123.087 1.422 . . . . 0.0 110.786 176.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.506 HD13 HE22 ' A' ' 41' ' ' GLN . 1.8 mt -69.92 -39.6 77.77 Favored 'Isoleucine or valine' 0 C--O 1.251 1.158 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 1.166 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -62.25 -48.72 78.71 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.578 2.609 . . . . 0.0 109.09 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.14 -41.85 65.49 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.544 -1.662 . . . . 0.0 111.962 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 1.9 tptm -93.54 -24.25 18.03 Favored 'General case' 0 C--O 1.28 2.696 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -123.4 -6.51 8.18 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 123.156 2.707 . . . . 0.0 114.229 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.62 89.97 Favored Glycine 0 CA--C 1.479 -2.2 0 N-CA-C 118.849 2.3 . . . . 0.0 118.849 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.166 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 7.9 mt -79.73 124.82 83.34 Favored Pre-proline 0 C--O 1.245 0.834 0 C-N-CA 118.805 -1.158 . . . . 0.0 110.943 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -56.87 136.76 78.36 Favored 'Trans proline' 0 C--O 1.26 1.609 0 C-N-CA 123.337 2.692 . . . . 0.0 110.833 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.802 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 27.3 Cg_exo -57.16 -31.91 91.9 Favored 'Trans proline' 0 C--O 1.263 1.755 0 O-C-N 122.967 0.983 . . . . 0.0 113.616 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.48 -15.39 63.53 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 119.777 -1.827 . . . . 0.0 112.163 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -96.01 -10.22 29.09 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 120.749 -1.22 . . . . 0.0 111.985 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.506 HE22 HD13 ' A' ' 30' ' ' ILE . 6.4 mt-30 -84.84 129.58 34.79 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.326 2.012 . . . . 0.0 115.724 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -121.1 116.14 24.44 Favored 'General case' 0 C--O 1.3 3.743 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 171.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 mp -103.51 130.1 50.83 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 119.481 1.037 . . . . 0.0 109.904 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.589 HD12 ' OD1' ' C' ' 79' ' ' ASP . 0.1 OUTLIER -122.03 131.89 72.14 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 O-C-N 125.192 1.558 . . . . 0.0 111.89 -177.581 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -144.36 129.59 18.72 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.434 -2.062 . . . . 0.0 105.434 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 46.06 19.79 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 112.278 -2.237 . . . . 0.0 110.719 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.411 ' HA3' ' CD2' ' C' ' 98' ' ' PHE . . . 61.69 21.72 61.0 Favored Glycine 0 N--CA 1.432 -1.567 0 C-N-CA 128.715 3.055 . . . . 0.0 117.357 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -115.01 142.78 46.17 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -85.82 130.26 34.6 Favored 'General case' 0 C--O 1.257 1.482 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 174.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.48 138.11 37.45 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 117.66 -1.162 . . . . 0.0 110.202 -175.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -101.73 140.07 36.51 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.092 1.495 . . . . 0.0 109.954 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -47.91 -42.51 27.32 Favored 'General case' 0 C--O 1.264 1.837 0 N-CA-C 120.831 3.641 . . . . 0.0 120.831 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.59 -8.98 85.36 Favored Glycine 0 CA--C 1.489 -1.545 0 N-CA-C 116.222 1.249 . . . . 0.0 116.222 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -85.39 165.39 17.26 Favored 'General case' 0 C--O 1.25 1.132 0 O-C-N 119.863 -1.963 . . . . 0.0 107.971 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 11.3 p -104.51 164.87 11.45 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 177.029 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.514 HD12 HG11 ' A' ' 17' ' ' VAL . 1.2 mt -61.61 -35.94 79.3 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 p -64.32 -29.37 70.45 Favored 'General case' 0 C--O 1.266 1.969 0 C-N-CA 117.252 -1.779 . . . . 0.0 112.153 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.55 -39.51 70.7 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.467 1.127 . . . . 0.0 110.706 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -90.82 4.6 51.28 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.973 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 58.12 45.17 18.04 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 121.596 1.998 . . . . 0.0 111.189 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.505 HD13 HD22 ' A' ' 56' ' ' LEU . 4.0 mt -88.68 116.49 30.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.988 0 CA-C-O 115.175 -2.345 . . . . 0.0 106.263 175.8 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.44 169.62 8.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 126.025 2.078 . . . . 0.0 109.43 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.81 28.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 123.182 1.468 . . . . 0.0 109.178 -176.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 67.11 19.17 10.47 Favored 'General case' 0 C--O 1.254 1.34 0 N-CA-C 118.001 2.593 . . . . 0.0 118.001 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p -71.08 159.59 34.44 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.68 ' HB ' ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -119.16 126.75 52.33 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 118.192 -0.909 . . . . 0.0 108.806 175.79 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -103.2 154.61 19.15 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 114.876 -2.488 . . . . 0.0 105.629 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' ILE . 9.5 t60 -105.65 135.63 46.71 Favored 'General case' 0 C--N 1.287 -2.125 0 O-C-N 127.296 2.872 . . . . 0.0 105.861 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.454 HD13 ' OE1' ' A' ' 41' ' ' GLN . 6.6 tp -106.85 115.78 30.78 Favored 'General case' 0 C--O 1.284 2.92 0 CA-C-O 117.607 -1.187 . . . . 0.0 111.442 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.464 HG21 ' CE1' ' C' ' 76' ' ' PHE . 4.5 t -108.1 139.83 28.83 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 175.057 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.95 138.84 33.01 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.203 0.525 . . . . 0.0 109.887 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 . . . . . 0 C--N 1.278 -2.506 0 CA-C-O 113.114 -3.327 . . . . 0.0 105.532 178.595 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 mtt . . . . . 0 CA--C 1.549 0.919 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -90.9 138.43 31.6 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 127.144 2.778 . . . . 0.0 108.86 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.16 163.05 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.299 0 CA-C-O 115.732 -2.08 . . . . 0.0 105.938 173.227 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.474 ' CZ ' HG23 ' B' ' 14' ' ' THR . 0.9 OUTLIER -115.93 140.09 49.59 Favored 'General case' 0 N--CA 1.513 2.699 1 O-C-N 130.614 4.946 . . . . 0.0 108.652 179.797 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.91 114.11 44.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 113.496 -3.145 . . . . 0.0 105.836 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.07 127.55 41.21 Favored 'General case' 0 N--CA 1.502 2.147 1 O-C-N 129.112 4.007 . . . . 0.0 108.236 -178.188 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 52.1 p -99.57 170.87 8.29 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.787 -1.102 . . . . 0.0 109.266 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.599 ' H ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.37 -7.0 49.8 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 124.144 0.902 . . . . 0.0 112.875 -178.266 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.0 t -101.23 14.84 30.71 Favored 'General case' 0 N--CA 1.506 2.328 0 C-N-CA 115.705 -2.398 . . . . 0.0 111.947 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.7 80.09 Favored Glycine 0 C--N 1.295 -1.715 0 O-C-N 120.192 -1.568 . . . . 0.0 116.066 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.25 137.87 34.69 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 174.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.89 132.01 55.42 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 126.358 2.286 . . . . 0.0 106.223 176.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 tp -109.58 141.84 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.693 3.121 . . . . 0.0 109.022 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.474 HG23 ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -101.29 139.85 36.39 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 116.985 -1.886 . . . . 0.0 108.344 177.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.46 154.11 44.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 115.564 -2.16 . . . . 0.0 108.374 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -111.81 121.26 44.59 Favored 'General case' 0 N--CA 1.495 1.819 1 O-C-N 129.145 4.028 . . . . 0.0 103.511 173.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.21 170.61 15.7 Favored 'Isoleucine or valine' 0 C--O 1.253 1.266 0 O-C-N 127.796 3.185 . . . . 0.0 111.199 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.93 144.6 37.79 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.09 -2.323 . . . . 0.0 106.353 174.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -54.94 -24.73 40.63 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 122.713 2.275 . . . . 0.0 111.531 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -79.85 -8.22 59.16 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.923 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.01 148.49 47.56 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.746 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -83.81 160.56 21.17 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 19.4 mm -61.49 -36.78 75.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 127.042 2.714 . . . . 0.0 110.353 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.786 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.12 -42.93 77.66 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 120.398 -1.439 . . . . 0.0 111.014 176.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -64.47 -44.55 90.7 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 124.245 1.018 . . . . 0.0 111.351 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.6 -46.33 90.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.933 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -60.7 -37.95 83.4 Favored 'General case' 0 C--O 1.254 1.342 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.858 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.07 86.89 Favored 'General case' 0 C--O 1.279 2.626 0 O-C-N 123.384 0.427 . . . . 0.0 111.334 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -63.96 -37.37 87.15 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 120.41 -1.431 . . . . 0.0 110.917 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.0 mt -69.76 -39.73 78.29 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -48.86 78.52 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.514 2.578 . . . . 0.0 109.009 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -41.79 66.13 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.89 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.322 6.1 tptm -93.43 -24.26 18.11 Favored 'General case' 0 C--O 1.281 2.744 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 -175.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.66 -6.3 8.05 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 122.935 2.607 . . . . 0.0 113.858 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.92 5.66 89.96 Favored Glycine 0 CA--C 1.477 -2.305 0 N-CA-C 118.836 2.294 . . . . 0.0 118.836 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.482 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.8 mt -80.0 125.07 82.61 Favored Pre-proline 0 C--O 1.241 0.647 0 C-N-CA 118.682 -1.207 . . . . 0.0 110.989 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 91.6 Cg_exo -57.14 137.03 80.0 Favored 'Trans proline' 0 C--O 1.257 1.431 0 C-N-CA 122.971 2.447 . . . . 0.0 110.865 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -57.25 -32.15 92.81 Favored 'Trans proline' 0 C--O 1.261 1.647 0 O-C-N 122.98 0.989 . . . . 0.0 113.351 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -68.26 -15.71 63.68 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 119.948 -1.72 . . . . 0.0 112.242 -177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.791 ' HB3' HD11 ' B' ' 71' ' ' LEU . 74.4 mm-40 -95.47 -10.6 29.37 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 120.524 -1.36 . . . . 0.0 112.252 178.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -84.84 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.264 1.983 . . . . 0.0 115.753 -177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 0.0 OUTLIER -121.17 116.09 24.28 Favored 'General case' 0 C--O 1.298 3.606 0 N-CA-C 104.812 -2.292 . . . . 0.0 104.812 172.181 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.499 ' C ' HD13 ' B' ' 44' ' ' ILE . 4.0 mm? -103.62 130.22 51.03 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 119.46 1.027 . . . . 0.0 109.914 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.499 HD13 ' C ' ' B' ' 43' ' ' LEU . 0.5 OUTLIER -121.91 131.62 72.71 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 O-C-N 125.117 1.51 . . . . 0.0 112.048 -177.619 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.21 129.85 19.13 Favored 'General case' 0 C--N 1.359 0.98 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 45.89 19.73 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 111.988 -2.369 . . . . 0.0 110.705 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.19 59.63 Favored Glycine 0 C--N 1.298 -1.544 0 C-N-CA 128.284 2.849 . . . . 0.0 117.397 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -109.83 143.81 39.17 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 115.335 -2.269 . . . . 0.0 110.996 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -87.17 130.35 34.58 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.5 mt -79.67 138.41 37.36 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 117.626 -1.178 . . . . 0.0 110.091 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -101.88 139.9 36.89 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 125.28 1.613 . . . . 0.0 110.009 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.786 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 1.1 p30 -48.17 -42.11 28.79 Favored 'General case' 0 C--O 1.263 1.795 0 N-CA-C 120.78 3.622 . . . . 0.0 120.78 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.15 -8.61 85.25 Favored Glycine 0 CA--C 1.494 -1.268 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.53 165.24 17.26 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.189 -1.771 . . . . 0.0 108.006 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 21.1 p -104.41 164.4 11.77 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.445 HD22 HD13 ' B' ' 61' ' ' ILE . 33.3 mt -61.0 -36.31 79.13 Favored 'General case' 0 C--O 1.201 -1.457 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.7 m -63.75 -29.61 70.8 Favored 'General case' 0 C--O 1.267 2.016 0 C-N-CA 117.291 -1.764 . . . . 0.0 112.245 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -55.76 -39.0 70.6 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.567 1.175 . . . . 0.0 110.731 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -91.16 4.5 52.07 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 117.625 -1.179 . . . . 0.0 112.866 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.95 45.39 18.25 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 121.607 2.003 . . . . 0.0 111.301 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.445 HD13 HD22 ' B' ' 56' ' ' LEU . 20.8 mt -88.75 116.31 30.18 Favored 'Isoleucine or valine' 0 C--O 1.27 2.176 0 CA-C-O 115.029 -2.415 . . . . 0.0 106.234 175.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -103.39 169.52 8.49 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 126.163 2.164 . . . . 0.0 109.743 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.82 142.92 27.34 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 123.115 1.436 . . . . 0.0 109.305 -176.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 66.96 19.23 10.62 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 117.744 2.498 . . . . 0.0 117.744 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.12 159.6 34.4 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 174.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.07 126.62 52.1 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 118.228 -0.891 . . . . 0.0 108.784 175.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.22 154.59 19.18 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 114.727 -2.558 . . . . 0.0 105.696 175.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -105.57 135.8 46.31 Favored 'General case' 0 C--N 1.284 -2.272 0 O-C-N 127.574 3.046 . . . . 0.0 105.701 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 tt -107.19 115.87 30.93 Favored 'General case' 0 C--O 1.282 2.784 0 CA-C-O 117.731 -1.128 . . . . 0.0 111.399 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' B' ' 42' ' ' ARG . 33.8 m -108.21 139.97 28.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 103.4 -2.815 . . . . 0.0 103.4 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.11 -83.39 0.37 Allowed 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.051 0.453 . . . . 0.0 109.857 178.394 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? . . . . . 0 C--N 1.277 -2.554 0 CA-C-O 113.489 -3.148 . . . . 0.0 105.453 179.75 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.646 0.736 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -89.06 137.95 31.85 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.536 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.623 ' HB2' HG23 ' C' ' 49' ' ' ILE . 0.4 OUTLIER -70.28 -39.6 74.82 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.699 0.761 . . . . 0.0 111.844 172.476 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.675 ' HB ' HG22 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.31 136.1 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 107.426 -178.222 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.38 148.04 34.18 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.572 165.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -161.01 155.18 22.85 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.241 0.963 . . . . 0.0 111.21 173.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -72.26 127.87 33.9 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.181 -1.372 . . . . 0.0 112.307 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.098 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.99 164.89 25.17 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 108.247 -1.941 . . . . 0.0 108.247 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 -179.2 3.77 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 31' ' ' MET . . . . . 0.733 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.3 mpt? -137.07 161.09 37.04 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 174.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 87.8 p -136.67 156.54 48.4 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.067 -1.453 . . . . 0.0 108.734 177.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mp -92.73 116.17 28.77 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 115.81 29.33 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 172.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 10.4 t -113.92 14.52 18.52 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.37 -0.415 . . . . 0.0 109.958 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -112.06 122.48 47.87 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 85.0 t -76.09 120.06 25.35 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 50.4 m -124.14 119.28 26.49 Favored Pre-proline 0 C--O 1.245 0.856 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.222 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' PRO . . . . . 0.733 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 32.3 Cg_exo -59.91 134.79 59.01 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.956 -0.896 . . . . 0.0 111.846 173.455 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -85.68 132.16 34.2 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.95 -11.17 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.28 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -67.08 144.37 56.15 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -68.04 125.55 26.68 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 171.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.34 171.25 21.57 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.316 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -128.43 124.37 36.06 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 15.9 t -90.91 137.63 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 164.614 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -151.95 157.76 42.22 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.973 0.892 . . . . 0.0 113.015 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.777 HG13 ' CE1' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -118.81 131.07 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.591 -1.641 . . . . 0.0 108.321 174.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -134.02 137.68 44.89 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -100.25 122.06 42.45 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 170.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 68.4 p -83.99 171.16 13.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.33 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.54 -10.51 59.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -170.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -82.7 7.48 14.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.014 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.87 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.458 1.503 . . . . 0.0 114.684 -177.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.89 149.86 39.36 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 122.165 0.983 . . . . 0.0 113.034 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -102.15 129.08 54.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.138 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.61 125.3 50.52 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -176.579 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.74 119.0 36.74 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.196 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 91.4 m -127.63 156.88 41.61 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -130.5 128.26 40.83 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.738 169.263 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -120.65 134.25 55.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.773 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.22 115.36 13.63 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -64.0 -32.44 73.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -176.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 65' ' ' THR . . . . . 0.468 HG23 ' N ' ' C' ' 66' ' ' SER . 5.5 t -72.51 -46.14 56.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -175.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 66' ' ' SER . . . . . 0.468 ' N ' HG23 ' C' ' 65' ' ' THR . 0.0 OUTLIER -91.44 -20.53 21.68 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.516 -176.668 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.53 2.76 60.79 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -72.52 130.0 39.61 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.679 1.24 . . . . 0.0 113.159 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.2 109.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.49 -28.89 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.942 -171.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.02 135.6 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.838 0.828 . . . . 0.0 109.386 177.651 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -155.04 103.31 2.38 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.06 123.21 45.1 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.253 -174.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 pt -75.83 124.36 33.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.384 1.087 . . . . 0.0 111.721 168.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.882 HG21 HD13 ' C' ' 128' ' ' LEU . 46.9 mm -123.02 130.29 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.381 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.597 -174.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 76' ' ' PHE . . . . . 0.475 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 1.2 p90 -101.24 158.98 30.76 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.403 1.064 . . . . 0.0 110.885 173.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -54.37 133.88 58.37 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.915 2.41 . . . . 0.0 111.264 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.59 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 79' ' ' ASP . . . . . 0.589 ' OD1' HD12 ' A' ' 44' ' ' ILE . 6.3 t0 -70.45 -33.61 71.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.038 0.835 . . . . 0.0 109.563 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 29.1 p -154.87 168.12 27.97 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.536 -1.266 . . . . 0.0 113.635 -173.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -133.45 139.31 46.63 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.468 -1.696 . . . . 0.0 106.992 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.6 ' CE1' HD13 ' C' ' 96' ' ' LEU . 2.7 m-85 -106.76 124.19 49.25 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -148.54 156.43 42.43 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -177.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -67.75 142.79 56.15 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.486 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.18 98.33 2.82 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 171.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -61.02 -31.96 91.75 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 N-CA-C 117.814 2.198 . . . . 0.0 117.814 -167.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.09 8.59 34.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.207 -164.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.05 119.64 72.72 Favored Pre-proline 0 CA--C 1.516 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.96 -19.86 34.06 Favored 'Trans proline' 0 C--N 1.346 0.421 0 O-C-N 123.054 1.028 . . . . 0.0 114.422 -173.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 83.2 p -65.5 -34.63 78.71 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.437 0.562 . . . . 0.0 110.083 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.03 64.87 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.529 -172.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -121.09 17.18 11.64 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 45.2 t -97.06 133.42 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 173.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 94' ' ' TYR . . . . . 0.749 ' CD1' ' HB2' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -125.05 151.74 45.22 Favored 'General case' 0 CA--C 1.499 -0.988 0 O-C-N 125.509 1.756 . . . . 0.0 110.448 178.588 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 95' ' ' VAL . . . . . 0.568 ' N ' ' CD2' ' C' ' 94' ' ' TYR . 1.3 m -126.94 135.33 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 96' ' ' LEU . . . . . 0.6 HD13 ' CE1' ' C' ' 82' ' ' PHE . 0.2 OUTLIER -95.43 108.1 20.29 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 169.151 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -109.17 125.15 51.9 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -171.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.411 ' CD2' ' HA3' ' A' ' 47' ' ' GLY . 77.8 m-85 -84.77 115.72 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.052 0.845 . . . . 0.0 109.195 176.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -63.5 -25.09 68.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.429 -169.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 100' ' ' ALA . . . . . 0.556 ' HB3' HD11 ' A' ' 44' ' ' ILE . . . -111.31 115.21 28.93 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 173.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 101' ' ' GLY . . . . . 0.552 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.91 172.39 27.71 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -172.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.38 9.08 33.12 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.099 -0.648 . . . . 0.0 110.588 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -70.63 129.17 38.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 117.882 -1.527 . . . . 0.0 110.573 -165.068 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 141.75 46.28 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.943 175.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.53 126.2 45.45 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 171.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 106' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' C' ' 106' ' ' PHE . 1.4 m-85 -100.94 143.68 30.79 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 124.698 1.249 . . . . 0.0 110.281 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 107' ' ' PHE . . . . . 0.749 ' HB2' ' CD1' ' C' ' 94' ' ' TYR . 54.3 m-85 -137.1 156.68 48.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.234 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -131.43 126.54 35.35 Favored 'General case' 0 N--CA 1.42 -1.968 0 C-N-CA 119.581 -0.848 . . . . 0.0 110.388 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.66 137.74 58.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.278 -174.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.87 3.99 11.52 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.213 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 135.84 93.86 Favored Pre-proline 0 C--O 1.265 1.913 0 CA-C-O 123.028 1.394 . . . . 0.0 108.705 172.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.21 -41.32 43.51 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.609 -1.127 . . . . 0.0 112.444 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -96.17 146.9 24.29 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.482 173.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 27.9 p -83.48 -9.19 59.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.166 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -33.81 56.29 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.403 0.681 . . . . 0.0 112.77 -169.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.19 5.8 37.93 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -174.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -48.82 77.35 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.97 -1.092 . . . . 0.0 110.252 -177.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.3 70.73 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.576 -173.474 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -44.02 80.24 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.856 0.36 . . . . 0.0 110.91 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -55.61 -45.84 77.44 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.026 -1.046 . . . . 0.0 112.301 173.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 121' ' ' CYS . . . . . 0.85 ' O ' HG22 ' C' ' 124' ' ' VAL . 1.3 m -60.7 -43.06 98.26 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.681 0.753 . . . . 0.0 110.287 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -43.52 98.67 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.074 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -64.19 -42.34 96.7 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 124' ' ' VAL . . . . . 1.088 ' HA ' ' CE2' ' C' ' 127' ' ' TYR . 16.8 m -52.33 -51.94 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.336 175.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 125' ' ' ASN . . . . . 0.498 ' N ' HG23 ' C' ' 124' ' ' VAL . 1.4 m-20 -60.28 -39.52 87.15 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -45.96 82.35 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.51 -178.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 127' ' ' TYR . . . . . 1.088 ' CE2' ' HA ' ' C' ' 124' ' ' VAL . 0.6 OUTLIER -79.07 -24.49 43.49 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.38 -174.597 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.882 HD13 HG21 ' C' ' 75' ' ' ILE . 5.9 mt -78.97 -36.08 42.03 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.771 -0.771 . . . . 0.0 112.322 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -110.79 -11.13 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -168.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -141.15 71.83 27.5 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -46.17 108.8 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.592 1.528 . . . . 0.0 111.634 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo . . . . . 0 C--N 1.29 -2.538 0 C-N-CA 122.422 2.081 . . . . 0.0 111.573 179.804 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptt? . . . . . 0 CA--C 1.549 0.927 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -91.12 138.19 31.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 126.856 2.597 . . . . 0.0 108.884 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 pp -131.22 162.97 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.372 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.0 140.22 49.47 Favored 'General case' 0 N--CA 1.512 2.663 1 O-C-N 130.496 4.873 . . . . 0.0 108.787 179.582 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.7 t -118.06 114.2 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 113.4 -3.191 . . . . 0.0 105.602 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -95.13 127.58 41.29 Favored 'General case' 0 N--CA 1.506 2.363 1 O-C-N 129.354 4.159 . . . . 0.0 107.95 -178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -99.61 170.81 8.33 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.294 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -6.85 48.97 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.046 0.841 . . . . 0.0 112.697 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -101.55 14.97 30.36 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 115.754 -2.379 . . . . 0.0 111.936 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.79 80.21 Favored Glycine 0 C--N 1.297 -1.588 0 O-C-N 120.205 -1.56 . . . . 0.0 116.154 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 138.13 34.57 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 p -119.95 131.67 55.27 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 126.675 2.484 . . . . 0.0 105.928 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.53 141.98 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 127.738 3.149 . . . . 0.0 108.956 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -101.37 139.78 36.56 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.17 -1.812 . . . . 0.0 108.083 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -126.47 154.06 44.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 115.458 -2.211 . . . . 0.0 108.311 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -111.86 121.0 43.85 Favored 'General case' 0 N--CA 1.499 1.99 1 O-C-N 129.204 4.065 . . . . 0.0 103.639 173.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.92 170.6 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.335 0 O-C-N 127.477 2.986 . . . . 0.0 111.175 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -119.96 144.52 37.68 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 112.395 -2.184 . . . . 0.0 106.256 174.643 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -55.03 -24.26 39.17 Favored 'Trans proline' 0 C--N 1.321 -0.894 0 C-N-CA 122.481 2.121 . . . . 0.0 111.993 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 p -80.08 -8.1 59.22 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.857 -177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 21' ' ' ASP . 30.2 p-10 -71.15 148.38 47.44 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 117.505 -1.678 . . . . 0.0 109.81 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.67 160.5 21.32 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.839 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 29.9 mm -61.44 -37.14 77.06 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 O-C-N 127.137 2.773 . . . . 0.0 110.212 175.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -57.5 -40.27 78.29 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.303 -0.873 . . . . 0.0 110.793 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.13 -42.01 80.8 Favored 'General case' 0 C--O 1.262 1.716 0 O-C-N 121.872 -0.517 . . . . 0.0 110.998 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.412 HG21 HD11 ' A' ' 56' ' ' LEU . 2.7 t -58.22 -46.36 88.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 O-C-N 124.461 1.1 . . . . 0.0 109.173 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -60.93 -37.92 83.98 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-O 118.803 -0.617 . . . . 0.0 110.683 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.17 87.56 Favored 'General case' 0 C--O 1.277 2.523 0 CA-C-N 118.107 0.412 . . . . 0.0 111.117 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -37.49 87.64 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-O 123.082 1.42 . . . . 0.0 110.678 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 mm -69.95 -39.58 77.66 Favored 'Isoleucine or valine' 0 C--O 1.251 1.155 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -48.72 78.82 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 125.556 2.598 . . . . 0.0 109.136 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -41.71 65.73 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.39 -1.732 . . . . 0.0 111.991 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -93.67 -24.14 17.98 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 -175.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -123.46 -6.48 8.15 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 123.129 2.695 . . . . 0.0 114.23 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.6 90.0 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.948 2.339 . . . . 0.0 118.948 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 66.2 mt -79.73 124.83 83.33 Favored Pre-proline 0 C--O 1.244 0.803 0 C-N-CA 118.761 -1.176 . . . . 0.0 110.945 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 82.5 Cg_exo -57.02 136.85 79.15 Favored 'Trans proline' 0 C--O 1.259 1.537 0 C-N-CA 123.361 2.707 . . . . 0.0 110.715 178.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.7 Cg_exo -57.18 -31.94 92.01 Favored 'Trans proline' 0 C--O 1.263 1.761 0 O-C-N 122.925 0.96 . . . . 0.0 113.647 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.47 -15.33 63.51 Favored 'General case' 0 C--O 1.262 1.748 0 O-C-N 119.872 -1.767 . . . . 0.0 112.306 -177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.95 -10.27 29.09 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 120.64 -1.287 . . . . 0.0 112.079 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -84.92 129.59 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.453 2.073 . . . . 0.0 115.792 -177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 116.09 24.41 Favored 'General case' 0 C--O 1.299 3.703 0 N-CA-C 105.037 -2.209 . . . . 0.0 105.037 171.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.452 ' O ' HD12 ' A' ' 50' ' ' LEU . 84.7 mt -103.5 130.19 50.83 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 119.566 1.075 . . . . 0.0 109.998 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.416 HG21 ' OD2' ' C' ' 79' ' ' ASP . 1.6 mp -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 O-C-N 125.088 1.493 . . . . 0.0 111.852 -177.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 1.011 ' O ' ' OH ' ' A' ' 59' ' ' TYR . 28.1 t80 -144.32 129.5 18.68 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.22 46.1 19.92 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 112.277 -2.238 . . . . 0.0 110.76 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.53 21.8 60.74 Favored Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 128.668 3.033 . . . . 0.0 117.549 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 17.7 mmtp -115.1 142.85 46.09 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 177.634 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.86 130.31 34.59 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 174.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 43' ' ' LEU . 4.8 mp -79.44 138.08 37.47 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 117.622 -1.18 . . . . 0.0 110.196 -176.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.73 140.17 36.37 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 125.099 1.499 . . . . 0.0 109.983 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.2 m-20 -48.07 -42.44 28.64 Favored 'General case' 0 C--O 1.263 1.801 0 N-CA-C 120.752 3.612 . . . . 0.0 120.752 -175.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.72 -8.88 85.38 Favored Glycine 0 CA--C 1.49 -1.488 0 N-CA-C 116.139 1.216 . . . . 0.0 116.139 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -85.42 165.37 17.25 Favored 'General case' 0 C--O 1.251 1.151 0 O-C-N 119.822 -1.987 . . . . 0.0 107.986 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 17.5 p -104.54 164.85 11.46 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 176.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.412 HD11 HG21 ' A' ' 26' ' ' VAL . 4.6 mp -61.58 -35.97 79.33 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 177.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -29.56 70.66 Favored 'General case' 0 C--O 1.267 2.004 0 C-N-CA 117.264 -1.774 . . . . 0.0 112.198 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -55.41 -39.54 70.33 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 122.451 1.12 . . . . 0.0 110.741 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 1.011 ' OH ' ' O ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.88 4.81 50.84 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 117.79 -1.1 . . . . 0.0 113.088 179.107 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.95 45.29 18.4 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 121.537 1.972 . . . . 0.0 111.266 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 mt -88.78 116.57 30.64 Favored 'Isoleucine or valine' 0 C--O 1.266 1.962 0 CA-C-O 115.238 -2.315 . . . . 0.0 106.15 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.48 169.67 8.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 126.018 2.074 . . . . 0.0 109.441 -176.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -54.95 142.94 27.91 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.169 1.461 . . . . 0.0 109.119 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 67.02 19.21 10.57 Favored 'General case' 0 C--O 1.254 1.305 0 N-CA-C 118.002 2.593 . . . . 0.0 118.002 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -71.22 159.58 34.38 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.14 126.74 52.31 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 118.121 -0.942 . . . . 0.0 108.805 175.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -103.14 154.54 19.19 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 114.718 -2.563 . . . . 0.0 105.63 175.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -105.69 135.62 46.77 Favored 'General case' 0 C--N 1.286 -2.156 0 O-C-N 127.436 2.96 . . . . 0.0 105.817 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.0 tp -106.88 115.87 30.93 Favored 'General case' 0 C--O 1.284 2.912 0 CA-C-O 117.656 -1.164 . . . . 0.0 111.423 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 t -108.16 139.91 28.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -96.08 138.88 33.06 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.207 0.527 . . . . 0.0 109.868 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 . . . . . 0 C--N 1.278 -2.531 0 CA-C-O 113.212 -3.28 . . . . 0.0 105.552 178.506 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.4 mtp . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.96 138.42 31.61 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 127.085 2.741 . . . . 0.0 108.807 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.609 HD13 HD23 ' B' ' 67' ' ' LEU . 2.7 pp -131.05 163.09 37.92 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 CA-C-O 115.739 -2.077 . . . . 0.0 105.896 173.243 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -116.02 140.11 49.59 Favored 'General case' 0 N--CA 1.514 2.745 1 O-C-N 130.638 4.961 . . . . 0.0 108.604 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.86 114.06 44.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.796 175.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -95.06 127.48 41.16 Favored 'General case' 0 N--CA 1.502 2.147 1 O-C-N 129.227 4.079 . . . . 0.0 108.165 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.1 p -99.52 170.87 8.3 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.233 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.841 HD22 ' H ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.43 -7.0 49.92 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 124.078 0.861 . . . . 0.0 112.891 -178.3 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -101.22 14.88 30.57 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 115.627 -2.429 . . . . 0.0 112.041 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.72 80.09 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 120.144 -1.598 . . . . 0.0 116.037 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -96.23 137.86 34.69 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.91 131.93 55.38 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 126.367 2.292 . . . . 0.0 106.216 176.093 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.47 141.79 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 127.77 3.169 . . . . 0.0 109.131 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.09 139.88 36.16 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 117.05 -1.86 . . . . 0.0 108.386 177.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.65 154.04 44.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 115.553 -2.165 . . . . 0.0 108.354 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.79 121.09 44.15 Favored 'General case' 0 N--CA 1.495 1.808 1 O-C-N 129.234 4.084 . . . . 0.0 103.547 174.153 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.01 170.6 15.94 Favored 'Isoleucine or valine' 0 C--O 1.255 1.352 0 O-C-N 127.721 3.138 . . . . 0.0 111.246 -177.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 144.6 37.99 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 112.12 -2.309 . . . . 0.0 106.391 174.537 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.86 -24.76 40.18 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 C-N-CA 122.778 2.318 . . . . 0.0 111.559 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -8.3 59.2 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 121.107 -0.995 . . . . 0.0 110.923 -177.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.87 148.46 47.76 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 117.432 -1.707 . . . . 0.0 109.772 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -83.94 160.52 21.06 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 1.273 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.42 -36.71 74.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 126.964 2.665 . . . . 0.0 110.419 175.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.791 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.13 -42.99 77.77 Favored 'General case' 0 C--O 1.251 1.165 0 O-C-N 120.352 -1.467 . . . . 0.0 110.98 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -64.31 -44.59 91.11 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.183 0.993 . . . . 0.0 111.487 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.57 -46.33 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.194 -1.366 . . . . 0.0 108.935 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.564 ' HE2' HD11 ' B' ' 23' ' ' ILE . 2.5 mtmt -60.73 -37.99 83.63 Favored 'General case' 0 C--O 1.256 1.437 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.821 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.95 86.57 Favored 'General case' 0 C--O 1.278 2.563 0 O-C-N 123.356 0.41 . . . . 0.0 111.341 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -64.14 -37.31 86.99 Favored 'General case' 0 C--O 1.252 1.22 0 CA-C-O 123.03 1.395 . . . . 0.0 110.861 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.47 HD13 ' OE1' ' B' ' 41' ' ' GLN . 3.5 mt -69.83 -39.76 78.16 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.97 -48.79 78.78 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.641 2.638 . . . . 0.0 109.047 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.39 -41.74 66.22 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-N 113.716 -1.584 . . . . 0.0 111.886 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 7.3 mttp -93.42 -24.35 18.08 Favored 'General case' 0 C--O 1.28 2.664 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -123.65 -6.45 8.04 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 122.918 2.599 . . . . 0.0 113.835 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.06 5.55 90.05 Favored Glycine 0 CA--C 1.476 -2.403 0 N-CA-C 118.813 2.285 . . . . 0.0 118.813 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 46.8 mt -79.85 125.03 82.98 Favored Pre-proline 0 C--O 1.241 0.637 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.111 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 83.5 Cg_exo -57.15 137.04 80.05 Favored 'Trans proline' 0 C--O 1.256 1.415 0 C-N-CA 122.893 2.395 . . . . 0.0 110.905 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.4 Cg_exo -57.29 -32.1 92.76 Favored 'Trans proline' 0 C--O 1.262 1.706 0 O-C-N 123.028 1.015 . . . . 0.0 113.313 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.34 -15.53 63.59 Favored 'General case' 0 C--O 1.263 1.776 0 O-C-N 120.022 -1.674 . . . . 0.0 112.246 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.814 ' HB3' HD11 ' B' ' 71' ' ' LEU . 29.2 mm-40 -95.61 -10.57 29.12 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.487 -1.383 . . . . 0.0 112.181 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.47 ' OE1' HD13 ' B' ' 30' ' ' ILE . 0.5 OUTLIER -84.87 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 124.176 1.941 . . . . 0.0 115.75 -177.522 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -121.21 116.09 24.25 Favored 'General case' 0 C--O 1.297 3.603 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 172.198 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.61 ' C ' HD13 ' B' ' 44' ' ' ILE . 12.8 tp -103.51 130.24 50.85 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 119.451 1.023 . . . . 0.0 110.001 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.636 HD12 ' HG2' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -121.97 131.53 72.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 O-C-N 125.136 1.523 . . . . 0.0 112.069 -177.571 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.21 129.86 19.14 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 45.97 19.37 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 112.011 -2.359 . . . . 0.0 110.686 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.22 59.68 Favored Glycine 0 C--N 1.298 -1.556 0 C-N-CA 128.341 2.876 . . . . 0.0 117.287 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.84 143.87 39.1 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 115.377 -2.249 . . . . 0.0 110.953 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -87.09 130.28 34.57 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 104.12 -2.548 . . . . 0.0 104.12 173.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -79.57 138.44 37.47 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.08 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 1.273 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -101.86 140.06 36.65 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 125.206 1.567 . . . . 0.0 110.025 -177.738 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.833 ' O ' HG23 ' B' ' 23' ' ' ILE . 0.4 OUTLIER -48.35 -41.94 30.05 Favored 'General case' 0 C--O 1.263 1.78 0 N-CA-C 120.745 3.609 . . . . 0.0 120.745 -175.731 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.34 -8.48 85.11 Favored Glycine 0 CA--C 1.492 -1.373 0 N-CA-C 115.966 1.146 . . . . 0.0 115.966 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.8 ' O ' HG22 ' B' ' 23' ' ' ILE . 4.2 mmt85 -85.74 165.3 17.03 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 120.099 -1.824 . . . . 0.0 107.957 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 12.4 p -104.27 164.59 11.62 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 mt -61.2 -36.36 79.66 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.0 p -63.62 -29.82 71.01 Favored 'General case' 0 C--O 1.267 1.979 0 C-N-CA 117.334 -1.746 . . . . 0.0 112.187 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.7 -38.95 70.38 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 122.554 1.169 . . . . 0.0 110.785 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -91.16 4.52 52.01 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.857 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.96 45.26 18.42 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 121.679 2.036 . . . . 0.0 111.308 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -88.64 116.25 30.01 Favored 'Isoleucine or valine' 0 C--O 1.27 2.166 0 CA-C-O 115.115 -2.374 . . . . 0.0 106.277 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.37 169.56 8.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 126.066 2.104 . . . . 0.0 109.696 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -54.85 142.94 27.4 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 123.042 1.401 . . . . 0.0 109.387 -176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.94 19.15 10.63 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.8 t -71.17 159.63 34.31 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 174.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -119.02 126.6 52.1 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 118.214 -0.898 . . . . 0.0 108.868 175.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.609 HD23 HD13 ' B' ' 3' ' ' ILE . 1.8 mm? -103.15 154.58 19.15 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 114.65 -2.595 . . . . 0.0 105.71 175.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -105.63 135.79 46.4 Favored 'General case' 0 C--N 1.283 -2.293 0 O-C-N 127.62 3.075 . . . . 0.0 105.744 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.463 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.0 tt -107.14 115.76 30.74 Favored 'General case' 0 C--O 1.284 2.875 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.514 176.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.681 ' HA ' HD21 ' B' ' 8' ' ' LEU . 53.2 t -108.09 139.9 28.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 103.43 -2.804 . . . . 0.0 103.43 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.12 -83.38 0.37 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.065 0.459 . . . . 0.0 109.824 178.409 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.631 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 13.7 tpt180 . . . . . 0 C--N 1.277 -2.554 0 CA-C-O 113.504 -3.141 . . . . 0.0 105.39 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tptp . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 121.584 0.707 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.0 137.88 31.91 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.589 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.62 ' HB2' HG23 ' C' ' 49' ' ' ILE . 0.3 OUTLIER -70.25 -39.54 74.97 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.885 172.439 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.494 ' HB ' HG22 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.43 136.06 21.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 125.178 1.391 . . . . 0.0 107.496 -178.205 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.37 148.01 34.16 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.572 165.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.99 155.17 22.89 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.264 0.978 . . . . 0.0 111.181 173.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 127.76 33.55 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.375 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.565 ' HB3' HG12 ' C' ' 47' ' ' VAL . . . -166.16 147.66 6.75 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.102 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.9 164.79 25.23 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 108.267 -1.933 . . . . 0.0 108.267 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -179.2 3.79 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.3 mtt -137.18 161.01 37.34 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' SER . . . . . 0.592 ' O ' HG22 ' C' ' 39' ' ' THR . 7.5 m -136.6 156.5 48.48 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.827 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 116.12 28.73 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 105.939 -1.874 . . . . 0.0 105.939 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.37 115.85 29.39 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.05 8.62 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -113.9 14.48 18.54 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.412 -0.394 . . . . 0.0 110.028 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -111.97 122.46 47.82 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 t -76.09 120.03 25.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' THR . . . . . 0.592 HG22 ' O ' ' C' ' 32' ' ' SER . 1.2 t -124.11 119.41 26.51 Favored Pre-proline 0 C--O 1.246 0.872 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.141 -173.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.85 134.77 59.08 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 CA-C-O 122.302 0.876 . . . . 0.0 111.909 173.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -85.74 132.14 34.19 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.13 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.06 144.36 56.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -173.12 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 125.58 26.81 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.34 171.25 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.134 1.408 . . . . 0.0 115.37 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' LEU . . . . . 0.692 ' HB2' ' OH ' ' C' ' 48' ' ' TYR . 17.8 mt -128.4 124.44 36.33 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 175.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 47' ' ' VAL . . . . . 0.565 HG12 ' HB3' ' C' ' 28' ' ' ALA . 0.2 OUTLIER -90.98 137.57 21.45 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 164.553 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 1.295 ' OH ' ' HB3' ' C' ' 62' ' ' LYS . 0.0 OUTLIER -151.98 157.74 42.15 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 122.049 0.928 . . . . 0.0 112.911 175.597 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.839 HG13 ' CE2' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -118.73 131.09 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 113.507 -1.679 . . . . 0.0 108.418 174.82 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.05 137.64 44.81 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.374 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.19 122.05 42.41 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 170.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 7.5 t -84.08 171.19 13.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.238 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -71.65 -10.34 59.62 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.593 -0.843 . . . . 0.0 113.201 -170.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.68 7.41 14.92 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.021 170.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 4.0 t 73.83 -1.25 3.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.507 1.523 . . . . 0.0 114.749 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.505 HG22 HD11 ' C' ' 49' ' ' ILE . 0.0 OUTLIER -102.18 129.12 54.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.147 -177.639 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 1.4 m-70 -117.61 125.25 50.44 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 59' ' ' PHE . . . . . 0.448 ' HE2' HG23 ' C' ' 47' ' ' VAL . 0.3 OUTLIER -98.79 118.98 36.77 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.213 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.73 156.9 41.68 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -171.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 61' ' ' TRP . . . . . 0.433 ' HZ2' ' CZ ' ' C' ' 107' ' ' PHE . 4.0 m-90 -130.46 128.29 40.96 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.466 -1.697 . . . . 0.0 108.718 169.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 62' ' ' LYS . . . . . 1.295 ' HB3' ' OH ' ' C' ' 48' ' ' TYR . 0.6 OUTLIER -120.75 134.35 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.742 -176.313 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -74.29 115.36 13.71 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 173.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -64.1 -32.29 73.8 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -176.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p -72.49 -46.23 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -91.43 -20.51 21.7 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.559 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.75 60.84 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.53 130.03 39.68 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.624 1.212 . . . . 0.0 113.18 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.19 109.11 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.47 -28.77 15.29 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.062 -171.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -122.07 135.53 54.83 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.861 0.839 . . . . 0.0 109.386 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.94 103.35 2.4 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.569 -2.382 . . . . 0.0 104.569 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 16.5 mt -118.09 123.27 45.22 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.275 -174.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 mp -75.89 124.28 33.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.377 1.084 . . . . 0.0 111.715 168.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.96 130.33 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.632 -174.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -101.27 158.98 30.75 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.463 1.102 . . . . 0.0 110.861 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.32 133.87 58.15 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.931 2.421 . . . . 0.0 111.289 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.6 6.7 5.85 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -175.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 79' ' ' ASP . . . . . 0.416 ' OD2' HG21 ' A' ' 44' ' ' ILE . 20.5 m-20 -70.36 -33.67 71.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.003 0.819 . . . . 0.0 109.543 176.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 18.7 p -154.9 168.26 27.53 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.442 -1.303 . . . . 0.0 113.605 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -133.48 139.26 46.57 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.501 -1.681 . . . . 0.0 107.065 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.538 ' CG ' HG11 ' C' ' 124' ' ' VAL . 17.8 t80 -106.72 124.21 49.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 156.45 42.44 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -67.78 142.83 56.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.357 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 85' ' ' VAL . . . . . 0.711 ' HB ' HG13 ' C' ' 93' ' ' VAL . 2.5 t -94.23 98.3 2.83 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 171.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -61.07 -31.87 91.23 Favored 'Trans proline' 0 C--N 1.329 -0.479 0 N-CA-C 117.837 2.207 . . . . 0.0 117.837 -167.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -91.09 8.64 34.54 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.236 -164.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 88' ' ' CYS . . . . . 0.526 ' HB2' HG11 ' C' ' 93' ' ' VAL . 12.7 t -85.12 119.66 72.69 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -56.97 -19.91 34.39 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.97 0.984 . . . . 0.0 114.39 -173.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 6.6 m -65.48 -34.61 78.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.419 0.554 . . . . 0.0 110.131 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.43 13.12 64.84 Favored Glycine 0 CA--C 1.506 -0.529 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.534 -172.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -120.99 16.98 11.72 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 93' ' ' VAL . . . . . 0.711 HG13 ' HB ' ' C' ' 85' ' ' VAL . 2.7 p -96.92 133.39 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 94' ' ' TYR . . . . . 0.508 ' CB ' ' CZ ' ' C' ' 82' ' ' PHE . 1.9 m-85 -125.06 151.76 45.22 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 125.572 1.795 . . . . 0.0 110.43 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -126.93 135.4 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.42 108.12 20.3 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 104.906 -2.257 . . . . 0.0 104.906 169.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -109.22 125.14 51.94 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -84.73 115.68 22.82 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.135 0.897 . . . . 0.0 109.214 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 99' ' ' LYS . . . . . 0.636 ' HG2' HD12 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.41 -25.17 68.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.412 -169.646 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.29 115.12 28.79 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 173.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.97 172.43 27.64 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -172.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.47 9.12 33.23 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 122.099 -0.648 . . . . 0.0 110.484 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -70.65 129.23 38.61 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.593 -165.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.07 141.73 46.15 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.948 175.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 25.4 mt -124.51 126.24 45.53 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -100.88 143.64 30.79 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.68 1.237 . . . . 0.0 110.316 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 107' ' ' PHE . . . . . 0.433 ' CZ ' ' HZ2' ' C' ' 61' ' ' TRP . 0.5 OUTLIER -137.07 156.67 48.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.26 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -131.36 126.66 35.83 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.394 175.029 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 109' ' ' MET . . . . . 0.449 ' HE1' HG23 ' C' ' 114' ' ' THR . 0.0 OUTLIER -62.75 137.79 58.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.272 -174.729 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -118.84 3.98 11.54 Favored 'General case' 0 N--CA 1.428 -1.534 0 CA-C-N 114.627 -1.169 . . . . 0.0 110.31 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.37 135.88 93.97 Favored Pre-proline 0 C--O 1.265 1.906 0 CA-C-O 123.164 1.459 . . . . 0.0 108.63 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.24 -41.35 43.05 Favored 'Trans proline' 0 C--O 1.246 0.915 0 C-N-CA 117.603 -1.132 . . . . 0.0 112.466 -174.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.12 146.96 24.22 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.513 173.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 114' ' ' THR . . . . . 0.47 HG22 ' O ' ' C' ' 114' ' ' THR . 84.9 m -83.49 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.158 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -53.61 -33.84 56.38 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -103.08 5.77 38.2 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 117' ' ' ASP . . . . . 0.404 ' HB3' ' SD ' ' C' ' 109' ' ' MET . 22.9 p-10 -56.91 -48.8 77.37 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 118.986 -1.086 . . . . 0.0 110.276 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -32.18 70.41 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.492 -173.422 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -44.04 79.9 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 175.516 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 120' ' ' HIS . . . . . 0.468 ' O ' HG12 ' C' ' 124' ' ' VAL . 3.8 t60 -55.49 -45.89 76.99 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.021 -1.05 . . . . 0.0 112.37 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 121' ' ' CYS . . . . . 0.806 ' O ' HG13 ' C' ' 124' ' ' VAL . 0.8 OUTLIER -60.64 -43.1 97.94 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.677 0.751 . . . . 0.0 110.326 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -61.83 -43.51 98.71 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.117 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -64.26 -42.29 96.55 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 124' ' ' VAL . . . . . 1.012 ' HA ' ' CE1' ' C' ' 127' ' ' TYR . 0.6 OUTLIER -52.28 -51.96 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.421 175.496 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 125' ' ' ASN . . . . . 0.49 ' HA ' HD23 ' C' ' 128' ' ' LEU . 0.3 OUTLIER -60.25 -39.62 87.4 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.775 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.27 -45.97 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.461 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 127' ' ' TYR . . . . . 1.012 ' CE1' ' HA ' ' C' ' 124' ' ' VAL . 0.4 OUTLIER -79.09 -24.42 43.47 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.35 -174.606 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.575 ' N ' ' CD2' ' C' ' 127' ' ' TYR . 0.4 OUTLIER -79.1 -36.05 41.33 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.745 -0.782 . . . . 0.0 112.282 174.506 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 129' ' ' ASN . . . . . 0.458 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 8.8 t-20 -110.74 -11.08 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -168.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -141.21 71.84 27.21 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 169.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -47.05 170.11 0.05 OUTLIER 'Trans proline' 0 C--N 1.315 -1.191 0 C-N-CA 121.58 1.52 . . . . 0.0 111.667 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo . . . . . 0 C--N 1.29 -2.543 0 C-N-CA 122.462 2.108 . . . . 0.0 111.624 -179.88 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 mmm . . . . . 0 CA--C 1.549 0.942 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -91.02 138.22 31.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 126.881 2.613 . . . . 0.0 108.957 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.9 pt -131.23 162.98 38.29 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.03 140.2 49.5 Favored 'General case' 0 N--CA 1.513 2.683 1 O-C-N 130.566 4.916 . . . . 0.0 108.771 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -118.07 114.24 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.576 175.837 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.23 127.53 41.36 Favored 'General case' 0 N--CA 1.505 2.285 1 O-C-N 129.297 4.123 . . . . 0.0 107.874 -178.073 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.6 170.78 8.35 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.861 -1.066 . . . . 0.0 109.345 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.31 -7.08 50.04 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 124.133 0.895 . . . . 0.0 112.663 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 t -101.54 15.0 30.27 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 115.627 -2.429 . . . . 0.0 112.017 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.81 80.02 Favored Glycine 0 C--N 1.297 -1.585 0 O-C-N 120.181 -1.575 . . . . 0.0 116.047 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.54 138.08 34.66 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 174.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.7 p -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.582 2.426 . . . . 0.0 105.885 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.566 HG22 ' CD1' ' A' ' 15' ' ' LEU . 2.4 mp -109.62 141.98 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 127.68 3.112 . . . . 0.0 108.851 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.6 t -101.43 139.66 36.79 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.177 -1.809 . . . . 0.0 108.207 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.566 ' CD1' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -126.36 154.16 43.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 115.452 -2.213 . . . . 0.0 108.322 -179.23 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.84 121.0 43.87 Favored 'General case' 0 N--CA 1.498 1.942 1 O-C-N 129.173 4.046 . . . . 0.0 103.664 173.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.96 170.56 16.03 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 O-C-N 127.511 3.007 . . . . 0.0 111.227 -177.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -119.96 144.55 37.74 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 112.318 -2.219 . . . . 0.0 106.382 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -55.04 -24.21 39.07 Favored 'Trans proline' 0 C--N 1.319 -0.987 0 C-N-CA 122.448 2.098 . . . . 0.0 112.007 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 p -80.19 -8.01 59.23 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.886 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -71.04 148.4 47.61 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 117.409 -1.717 . . . . 0.0 109.782 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.936 HG23 ' H ' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -83.79 160.49 21.21 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.795 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.8 mp -61.44 -37.01 76.77 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 O-C-N 127.139 2.774 . . . . 0.0 110.263 175.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.936 ' H ' HG23 ' A' ' 22' ' ' THR . 0.7 OUTLIER -57.66 -40.18 78.74 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.252 -0.905 . . . . 0.0 110.698 177.038 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.81 ' H ' HG22 ' A' ' 22' ' ' THR . 99.2 m-20 -68.31 -41.85 80.25 Favored 'General case' 0 C--O 1.263 1.804 0 O-C-N 121.959 -0.463 . . . . 0.0 110.982 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -46.46 88.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 O-C-N 124.379 1.049 . . . . 0.0 109.237 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HG2' ' CD ' ' A' ' 41' ' ' GLN . 17.7 mtpt -60.78 -37.93 83.57 Favored 'General case' 0 C--O 1.259 1.591 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.806 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.12 87.26 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 118.14 0.427 . . . . 0.0 111.065 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -64.19 -37.37 87.23 Favored 'General case' 0 C--O 1.255 1.363 0 O-C-N 120.484 -1.385 . . . . 0.0 110.703 176.146 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -70.03 -39.51 77.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -62.23 -48.73 78.69 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 125.492 2.567 . . . . 0.0 109.086 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.24 -41.76 65.74 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-N 113.534 -1.667 . . . . 0.0 111.98 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 7.0 tttt -93.57 -24.23 18.02 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -175.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -123.4 -6.41 8.19 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 123.08 2.673 . . . . 0.0 114.314 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.53 90.05 Favored Glycine 0 CA--C 1.476 -2.36 0 N-CA-C 119.004 2.362 . . . . 0.0 119.004 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.472 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 57.0 mt -79.78 124.71 83.3 Favored Pre-proline 0 C--O 1.244 0.799 0 C-N-CA 118.914 -1.114 . . . . 0.0 110.968 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 83.1 Cg_exo -56.97 136.94 79.62 Favored 'Trans proline' 0 C--O 1.257 1.462 0 C-N-CA 123.284 2.656 . . . . 0.0 110.778 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.8 Cg_exo -57.26 -31.89 92.08 Favored 'Trans proline' 0 C--O 1.262 1.705 0 O-C-N 122.963 0.981 . . . . 0.0 113.645 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.5 -15.3 63.49 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.839 -1.788 . . . . 0.0 112.219 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -96.06 -10.22 28.96 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.77 -1.206 . . . . 0.0 111.999 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.414 ' CD ' ' HG2' ' A' ' 27' ' ' LYS . 4.9 tm0? -84.84 129.57 34.79 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 124.379 2.038 . . . . 0.0 115.767 -177.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 116.06 24.33 Favored 'General case' 0 C--O 1.298 3.653 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 171.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 44' ' ' ILE . 13.2 mt -103.46 130.17 50.76 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 119.495 1.043 . . . . 0.0 109.95 -177.522 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -122.01 131.82 72.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 125.05 1.469 . . . . 0.0 111.987 -177.607 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -144.33 129.56 18.73 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 46.03 19.82 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 112.25 -2.25 . . . . 0.0 110.743 177.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' HA3' ' CE1' ' C' ' 98' ' ' PHE . . . 61.72 21.67 61.0 Favored Glycine 0 N--CA 1.431 -1.659 0 C-N-CA 128.598 2.999 . . . . 0.0 117.538 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -115.11 142.83 46.12 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.82 130.25 34.6 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 103.769 -2.678 . . . . 0.0 103.769 174.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.41 138.08 37.5 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 117.605 -1.188 . . . . 0.0 110.272 -176.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -101.78 140.08 36.55 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 125.103 1.502 . . . . 0.0 109.934 -177.678 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -47.96 -42.53 27.8 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.783 3.623 . . . . 0.0 120.783 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.79 85.57 Favored Glycine 0 CA--C 1.49 -1.508 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.733 ' O ' HD12 ' A' ' 23' ' ' ILE . 13.2 mtt-85 -85.54 165.44 17.09 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 119.811 -1.994 . . . . 0.0 107.952 176.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.4 p -104.52 164.88 11.43 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -35.93 79.56 Favored 'General case' 0 C--O 1.203 -1.358 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -64.19 -29.46 70.57 Favored 'General case' 0 C--O 1.267 1.996 0 C-N-CA 117.247 -1.781 . . . . 0.0 112.216 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.48 -39.64 70.66 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 122.476 1.131 . . . . 0.0 110.683 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -90.76 4.72 50.84 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 117.701 -1.142 . . . . 0.0 113.064 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t30 58.12 45.16 18.07 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 121.583 1.992 . . . . 0.0 111.184 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.9 mt -88.75 116.51 30.53 Favored 'Isoleucine or valine' 0 C--O 1.267 2.017 0 CA-C-O 115.152 -2.356 . . . . 0.0 106.202 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -103.52 169.76 8.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 126.093 2.121 . . . . 0.0 109.289 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -54.92 142.89 27.95 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.274 1.511 . . . . 0.0 109.076 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.09 19.22 10.49 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -71.19 159.58 34.4 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.562 HG21 ' HB ' ' B' ' 70' ' ' VAL . 1.3 t -119.2 126.8 52.4 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 118.12 -0.943 . . . . 0.0 108.834 175.742 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mt -103.21 154.54 19.22 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 114.82 -2.514 . . . . 0.0 105.62 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -105.58 135.61 46.68 Favored 'General case' 0 C--N 1.288 -2.106 0 O-C-N 127.323 2.889 . . . . 0.0 105.888 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.84 115.84 30.88 Favored 'General case' 0 C--O 1.284 2.896 0 CA-C-O 117.636 -1.174 . . . . 0.0 111.454 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.7 t -108.12 139.91 28.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 103.574 -2.75 . . . . 0.0 103.574 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mp -96.14 138.95 33.0 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.302 0.572 . . . . 0.0 109.816 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 . . . . . 0 C--N 1.279 -2.491 0 CA-C-O 113.141 -3.314 . . . . 0.0 105.533 178.563 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.01 138.47 31.58 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 127.194 2.809 . . . . 0.0 108.83 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.702 HD11 HG22 ' B' ' 61' ' ' ILE . 0.0 OUTLIER -131.11 163.02 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 CA-C-O 115.788 -2.053 . . . . 0.0 105.907 173.288 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.518 ' N ' HG23 ' B' ' 3' ' ' ILE . 47.3 m-85 -115.97 140.19 49.5 Favored 'General case' 0 N--CA 1.513 2.715 1 O-C-N 130.568 4.918 . . . . 0.0 108.57 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -117.96 114.1 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.794 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 127.57 41.22 Favored 'General case' 0 N--CA 1.502 2.148 1 O-C-N 129.171 4.044 . . . . 0.0 108.245 -178.15 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.2 p -99.51 170.83 8.33 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 117.795 -1.098 . . . . 0.0 109.238 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.4 -7.05 50.07 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.085 0.865 . . . . 0.0 112.806 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.1 14.72 31.06 Favored 'General case' 0 N--CA 1.506 2.326 0 C-N-CA 115.74 -2.384 . . . . 0.0 112.028 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.48 16.7 80.05 Favored Glycine 0 C--N 1.295 -1.699 0 O-C-N 120.202 -1.561 . . . . 0.0 116.069 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.16 137.87 34.6 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -119.91 131.85 55.35 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 126.409 2.318 . . . . 0.0 106.199 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.1 mm -109.42 141.77 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 127.794 3.184 . . . . 0.0 109.104 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.4 m -101.15 139.86 36.25 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 117.01 -1.876 . . . . 0.0 108.377 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.51 154.06 44.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 115.6 -2.143 . . . . 0.0 108.352 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.77 121.16 44.33 Favored 'General case' 0 N--CA 1.495 1.821 1 O-C-N 129.16 4.038 . . . . 0.0 103.543 174.049 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.401 HG13 ' N ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -139.05 170.57 15.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 O-C-N 127.841 3.213 . . . . 0.0 111.246 -177.851 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.401 ' N ' HG13 ' B' ' 17' ' ' VAL . 3.5 mm-40 -120.01 144.62 37.99 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-N 112.158 -2.292 . . . . 0.0 106.328 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.95 -24.69 40.53 Favored 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 122.702 2.268 . . . . 0.0 111.523 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -8.34 59.19 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 121.154 -0.967 . . . . 0.0 110.99 -177.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.89 148.56 47.65 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 117.302 -1.759 . . . . 0.0 109.803 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.1 p -84.0 160.52 21.0 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 175.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.506 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 42.2 mm -61.41 -36.77 75.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 126.899 2.624 . . . . 0.0 110.385 175.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -42.93 77.76 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 120.405 -1.434 . . . . 0.0 110.966 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -44.64 90.86 Favored 'General case' 0 C--O 1.25 1.107 0 C-N-CA 124.305 1.042 . . . . 0.0 111.442 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.53 -46.33 89.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.997 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.549 ' O ' HG22 ' B' ' 30' ' ' ILE . 74.8 mttt -60.77 -37.96 83.65 Favored 'General case' 0 C--O 1.254 1.335 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.845 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.07 87.13 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 123.495 0.497 . . . . 0.0 111.379 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -64.03 -37.41 87.33 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-O 122.959 1.361 . . . . 0.0 110.81 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.598 HG23 ' CG1' ' B' ' 36' ' ' ILE . 1.8 tp -69.75 -39.73 78.31 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.9 -48.87 78.54 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-O 125.597 2.618 . . . . 0.0 109.038 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -41.84 66.38 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-N 113.687 -1.597 . . . . 0.0 111.821 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 10.7 tttt -93.37 -24.35 18.12 Favored 'General case' 0 C--O 1.28 2.683 0 N-CA-C 117.184 2.29 . . . . 0.0 117.184 -175.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -123.64 -6.33 8.06 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 122.959 2.618 . . . . 0.0 113.855 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.91 5.7 89.93 Favored Glycine 0 CA--C 1.476 -2.363 0 N-CA-C 118.708 2.243 . . . . 0.0 118.708 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.598 ' CG1' HG23 ' B' ' 30' ' ' ILE . 0.9 OUTLIER -79.88 125.07 82.84 Favored Pre-proline 0 C--O 1.241 0.641 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.075 179.593 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 86.6 Cg_exo -57.27 137.14 80.32 Favored 'Trans proline' 0 C--O 1.255 1.333 0 C-N-CA 122.829 2.352 . . . . 0.0 110.844 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -57.25 -32.31 93.27 Favored 'Trans proline' 0 C--O 1.261 1.65 0 O-C-N 123.046 1.024 . . . . 0.0 113.287 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -68.21 -15.58 63.63 Favored 'General case' 0 C--O 1.264 1.843 0 O-C-N 119.981 -1.699 . . . . 0.0 112.236 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.8 ' O ' HD23 ' B' ' 71' ' ' LEU . 3.1 pt20 -95.47 -10.54 29.52 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 120.557 -1.34 . . . . 0.0 112.324 178.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.491 ' OE1' HG21 ' B' ' 30' ' ' ILE . 15.6 tt0 -84.87 129.74 34.76 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.23 1.967 . . . . 0.0 115.791 -177.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 0.9 OUTLIER -121.24 115.99 24.04 Favored 'General case' 0 C--O 1.298 3.656 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.28 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 tp -103.51 130.27 50.86 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 119.563 1.074 . . . . 0.0 110.048 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.704 HD12 ' N ' ' B' ' 45' ' ' PHE . 0.1 OUTLIER -122.02 131.65 72.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 O-C-N 125.112 1.507 . . . . 0.0 111.987 -177.509 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.704 ' N ' HD12 ' B' ' 44' ' ' ILE . 93.0 t80 -144.23 129.69 18.96 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.25 45.99 20.0 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 112.053 -2.339 . . . . 0.0 110.618 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 20.23 59.47 Favored Glycine 0 C--N 1.298 -1.554 0 C-N-CA 128.229 2.823 . . . . 0.0 117.379 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -109.89 143.78 39.31 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 115.344 -2.265 . . . . 0.0 111.0 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -87.12 130.31 34.57 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 104.026 -2.583 . . . . 0.0 104.026 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.64 138.43 37.4 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.151 -175.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.97 140.06 36.77 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 125.209 1.568 . . . . 0.0 109.911 -177.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.506 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.1 p30 -48.37 -41.95 30.21 Favored 'General case' 0 C--O 1.263 1.812 0 N-CA-C 120.748 3.61 . . . . 0.0 120.748 -175.712 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.21 -8.58 85.18 Favored Glycine 0 N--CA 1.477 1.385 0 N-CA-C 115.976 1.151 . . . . 0.0 115.976 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -85.57 165.31 17.17 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 120.132 -1.805 . . . . 0.0 108.019 176.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 8.1 p -104.22 164.48 11.69 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 176.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -36.28 79.38 Favored 'General case' 0 C--O 1.201 -1.478 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.8 p -63.68 -29.81 70.99 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 117.301 -1.76 . . . . 0.0 112.226 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -39.01 70.21 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 122.568 1.175 . . . . 0.0 110.843 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -91.18 4.58 51.88 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.611 -1.185 . . . . 0.0 112.878 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.88 45.43 18.41 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-N 121.672 2.033 . . . . 0.0 111.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.702 HG22 HD11 ' B' ' 3' ' ' ILE . 6.9 mt -88.78 116.29 30.16 Favored 'Isoleucine or valine' 0 C--O 1.271 2.19 0 CA-C-O 115.019 -2.419 . . . . 0.0 106.273 175.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.31 169.56 8.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 126.128 2.143 . . . . 0.0 109.677 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 142.98 28.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.093 1.425 . . . . 0.0 109.272 -176.638 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 67.05 19.04 10.56 Favored 'General case' 0 C--O 1.257 1.461 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.443 ' HB2' HD11 ' B' ' 3' ' ' ILE . 3.5 m -71.1 159.52 34.55 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.1 m -118.98 126.59 52.1 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 118.236 -0.888 . . . . 0.0 108.809 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.1 154.62 19.1 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.666 -2.588 . . . . 0.0 105.794 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.513 ' O ' HG23 ' B' ' 44' ' ' ILE . 10.3 t60 -105.62 135.8 46.37 Favored 'General case' 0 C--N 1.283 -2.323 0 O-C-N 127.597 3.061 . . . . 0.0 105.643 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.425 ' C ' HD23 ' B' ' 69' ' ' LEU . 4.6 tt -107.1 115.68 30.6 Favored 'General case' 0 C--O 1.284 2.884 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.433 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.562 ' HB ' HG21 ' A' ' 66' ' ' THR . 0.8 OUTLIER -108.04 139.9 28.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 103.483 -2.784 . . . . 0.0 103.483 175.219 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 1.079 HD22 ' C ' ' B' ' 71' ' ' LEU . 0.1 OUTLIER -96.14 -83.41 0.37 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.053 0.454 . . . . 0.0 109.849 178.382 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.603 ' N ' HD22 ' B' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.534 0 CA-C-O 113.418 -3.182 . . . . 0.0 105.395 177.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.673 0.749 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -89.0 137.87 31.92 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.583 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.18 -39.65 75.12 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.66 0.743 . . . . 0.0 111.8 172.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -144.36 136.13 21.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.154 1.382 . . . . 0.0 107.375 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.35 148.09 34.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 119.674 -0.81 . . . . 0.0 110.477 165.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -161.02 155.2 22.85 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.182 0.926 . . . . 0.0 111.238 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -72.3 127.88 33.91 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.181 -1.372 . . . . 0.0 112.309 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.23 147.65 6.66 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.111 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.85 25.2 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -109.17 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 20.0 mtt -137.16 161.0 37.34 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 3.0 m -136.6 156.57 48.39 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.804 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.32 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.324 -1.911 . . . . 0.0 108.324 -169.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.56 18.45 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.374 -0.413 . . . . 0.0 109.969 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.96 122.62 48.27 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.2 120.06 25.5 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -124.09 119.37 26.53 Favored Pre-proline 0 C--O 1.244 0.815 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.141 -173.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.9 134.75 58.79 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-O 122.348 0.895 . . . . 0.0 111.855 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.7 132.2 34.19 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 172.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.03 -11.18 59.58 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -172.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 144.33 56.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -173.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -68.08 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 171.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' GLY . . . . . 0.461 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.31 171.29 21.55 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.266 1.481 . . . . 0.0 115.311 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.46 124.4 36.09 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 175.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 77.3 t -90.97 137.54 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 164.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -151.88 157.8 42.35 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.973 0.892 . . . . 0.0 112.999 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 5.9 mt -118.83 131.03 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.559 -1.655 . . . . 0.0 108.351 174.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -133.97 137.66 44.95 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -100.2 122.08 42.46 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.04 171.15 13.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.296 177.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -71.66 -10.37 59.67 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -170.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.64 7.35 14.99 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.264 -0.174 . . . . 0.0 110.994 170.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 14.7 t 73.84 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.45 1.5 . . . . 0.0 114.713 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 73.6 mt -74.89 149.96 39.32 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.21 -0.996 . . . . 0.0 113.087 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.648 ' O ' HD12 ' C' ' 75' ' ' ILE . 3.6 mp -102.25 129.03 54.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.145 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 28.0 m80 -117.54 125.29 50.57 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -98.74 118.99 36.72 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -127.71 156.86 41.72 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 61' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.48 128.26 40.88 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 113.505 -1.679 . . . . 0.0 108.723 169.314 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.63 134.32 55.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.782 -176.272 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -74.26 115.32 13.63 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 173.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -64.06 -32.35 73.87 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 72.5 p -72.56 -46.15 55.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 48.4 t -91.45 -20.5 21.7 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.535 -176.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.67 2.6 60.97 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 119.685 -0.508 . . . . 0.0 113.671 -171.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.51 130.01 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.685 1.242 . . . . 0.0 113.173 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 69' ' ' VAL . . . . . 0.421 HG12 ' H ' ' C' ' 69' ' ' VAL . 0.7 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.444 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -94.54 -28.84 15.21 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.913 -171.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.0 135.57 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.903 0.859 . . . . 0.0 109.386 177.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.02 103.37 2.39 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.06 123.24 45.15 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.253 -174.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 3.4 mp -75.87 124.3 33.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.434 1.112 . . . . 0.0 111.661 168.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.648 HD12 ' O ' ' C' ' 57' ' ' ILE . 0.3 OUTLIER -123.04 130.28 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.372 0 CA-C-N 114.581 -1.19 . . . . 0.0 109.613 -174.354 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -101.2 158.91 30.89 Favored Pre-proline 0 C--O 1.241 0.652 0 O-C-N 124.45 1.093 . . . . 0.0 110.905 173.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.24 133.85 57.78 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.949 2.432 . . . . 0.0 111.327 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.81 5.89 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -70.37 -33.66 71.69 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.986 0.812 . . . . 0.0 109.56 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 168.12 27.98 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.441 -1.304 . . . . 0.0 113.601 -173.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.42 139.32 46.68 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.434 -1.712 . . . . 0.0 106.973 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -106.71 124.26 49.35 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.58 156.49 42.49 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.82 142.84 56.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.35 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 85' ' ' VAL . . . . . 0.629 ' HB ' HG23 ' C' ' 93' ' ' VAL . 4.4 t -94.32 98.33 2.89 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 171.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -60.92 -31.99 92.09 Favored 'Trans proline' 0 C--N 1.329 -0.451 0 N-CA-C 117.816 2.199 . . . . 0.0 117.816 -167.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -91.0 8.53 34.83 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.972 -1.491 . . . . 0.0 112.306 -164.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 88' ' ' CYS . . . . . 0.555 ' HB2' HG21 ' C' ' 93' ' ' VAL . 8.8 t -85.04 119.66 72.76 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.0 -19.85 34.29 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.403 -173.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -65.48 -34.64 78.76 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.501 0.591 . . . . 0.0 110.092 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.41 13.07 64.7 Favored Glycine 0 CA--C 1.505 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.569 -172.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -120.92 17.0 11.78 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 93' ' ' VAL . . . . . 0.629 HG23 ' HB ' ' C' ' 85' ' ' VAL . 3.1 m -97.08 133.48 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 94' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' C' ' 109' ' ' MET . 1.0 OUTLIER -125.05 151.76 45.2 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 125.551 1.782 . . . . 0.0 110.402 178.647 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.04 135.43 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 tp -95.48 108.07 20.28 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -109.19 125.26 52.03 Favored 'General case' 0 CA--C 1.485 -1.525 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -171.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.4 ' CE1' ' HA3' ' A' ' 47' ' ' GLY . 98.8 m-85 -84.79 115.65 22.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.122 0.888 . . . . 0.0 109.262 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -63.39 -25.12 68.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.447 -169.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.29 115.19 28.9 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 101' ' ' GLY . . . . . 0.598 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.93 172.38 27.69 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -172.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.45 9.15 33.02 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 122.04 -0.682 . . . . 0.0 110.562 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.76 129.21 38.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.876 -1.53 . . . . 0.0 110.593 -165.091 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.02 141.79 46.25 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.908 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.8 mt -124.54 126.21 45.46 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.91 143.62 30.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.306 -177.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -137.04 156.75 48.03 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.297 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -131.5 126.63 35.45 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.372 175.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 109' ' ' MET . . . . . 0.495 ' HB2' ' CE2' ' C' ' 94' ' ' TYR . 54.3 tpp -62.73 137.75 58.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.257 -174.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -118.86 4.05 11.52 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.256 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.33 135.92 93.92 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.099 1.428 . . . . 0.0 108.623 172.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.25 -41.43 42.37 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 146.93 24.22 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 121.115 0.484 . . . . 0.0 110.532 173.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 12.3 t -83.47 -9.26 59.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.187 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -103.18 5.73 37.91 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -174.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -56.85 -48.78 77.28 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.352 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -32.21 70.55 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.313 -0.955 . . . . 0.0 110.593 -173.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -67.35 -43.99 80.13 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -55.62 -45.87 77.45 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.985 -1.072 . . . . 0.0 112.322 173.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 36.3 t -60.58 -43.08 97.73 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.676 0.751 . . . . 0.0 110.333 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.9 -43.48 98.75 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.128 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -42.27 96.6 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 29.6 t -52.37 -51.87 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.408 175.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 125' ' ' ASN . . . . . 0.52 ' HA ' HD23 ' C' ' 128' ' ' LEU . 17.7 m-20 -60.31 -39.51 87.27 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -46.01 81.92 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.429 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -78.97 -24.49 43.8 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 119.502 -0.879 . . . . 0.0 112.412 -174.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.03 -36.13 41.56 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.78 -0.768 . . . . 0.0 112.245 174.519 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 129' ' ' ASN . . . . . 0.475 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 1.1 t30 -110.74 -11.04 14.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -168.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -141.26 71.88 26.96 Favored Pre-proline 0 N--CA 1.467 0.413 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 169.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -79.34 171.48 15.99 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.63 1.553 . . . . 0.0 111.577 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 C--N 1.292 -2.446 0 C-N-CA 122.51 2.14 . . . . 0.0 111.576 179.709 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.17 138.21 31.77 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 126.823 2.577 . . . . 0.0 108.882 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.4 HD11 HD12 ' A' ' 15' ' ' LEU . 2.4 pp -131.27 163.08 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.362 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.93 140.26 49.42 Favored 'General case' 0 N--CA 1.513 2.721 1 O-C-N 130.514 4.883 . . . . 0.0 108.774 179.672 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.8 t -118.09 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-O 113.397 -3.192 . . . . 0.0 105.634 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.23 127.53 41.35 Favored 'General case' 0 N--CA 1.505 2.306 1 O-C-N 129.304 4.128 . . . . 0.0 107.892 -178.081 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -99.66 170.79 8.33 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.896 -1.049 . . . . 0.0 109.324 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.31 -7.04 49.89 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 124.104 0.878 . . . . 0.0 112.697 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.51 14.95 30.4 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.686 -2.406 . . . . 0.0 112.04 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.8 80.03 Favored Glycine 0 C--N 1.298 -1.56 0 O-C-N 120.158 -1.588 . . . . 0.0 115.972 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.5 138.1 34.58 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 p -119.95 131.69 55.27 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 126.683 2.489 . . . . 0.0 105.916 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.59 142.01 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 127.639 3.087 . . . . 0.0 108.831 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 t -101.47 139.67 36.8 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 117.142 -1.823 . . . . 0.0 108.098 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD12 HD11 ' A' ' 3' ' ' ILE . 14.1 mt -126.38 154.08 44.06 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.327 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -111.83 121.0 43.87 Favored 'General case' 0 N--CA 1.5 2.059 1 O-C-N 129.287 4.117 . . . . 0.0 103.627 173.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.92 170.64 15.96 Favored 'Isoleucine or valine' 0 C--O 1.254 1.33 0 O-C-N 127.558 3.036 . . . . 0.0 111.22 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 144.49 37.75 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 112.338 -2.21 . . . . 0.0 106.335 174.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -54.83 -24.51 38.81 Favored 'Trans proline' 0 C--N 1.322 -0.848 0 C-N-CA 122.537 2.158 . . . . 0.0 111.987 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -79.91 -8.17 59.17 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.962 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.99 148.42 47.67 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 117.497 -1.681 . . . . 0.0 109.814 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.76 160.5 21.24 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 175.785 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 mm -61.47 -37.05 76.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 O-C-N 127.168 2.792 . . . . 0.0 110.235 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -57.57 -40.16 78.36 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.344 -0.847 . . . . 0.0 110.753 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.28 -41.98 80.22 Favored 'General case' 0 C--O 1.262 1.724 0 O-C-N 121.857 -0.527 . . . . 0.0 110.948 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.15 -46.46 88.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 O-C-N 124.453 1.096 . . . . 0.0 109.167 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -60.92 -37.81 83.6 Favored 'General case' 0 C--O 1.258 1.543 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.717 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.01 86.65 Favored 'General case' 0 C--O 1.276 2.485 0 CA-C-N 118.132 0.424 . . . . 0.0 111.099 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.11 -37.52 87.74 Favored 'General case' 0 C--O 1.254 1.333 0 CA-C-O 123.074 1.416 . . . . 0.0 110.712 176.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.94 -39.53 77.63 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -62.22 -48.71 78.79 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 125.574 2.607 . . . . 0.0 109.118 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -53.26 -41.72 65.78 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.378 -1.737 . . . . 0.0 111.949 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 3.4 tptm -93.59 -24.22 18.01 Favored 'General case' 0 C--O 1.281 2.755 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.48 -6.44 8.14 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.132 2.696 . . . . 0.0 114.173 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.66 89.99 Favored Glycine 0 CA--C 1.478 -2.254 0 N-CA-C 118.855 2.302 . . . . 0.0 118.855 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.474 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.1 mt -79.79 124.77 83.24 Favored Pre-proline 0 C--O 1.244 0.786 0 C-N-CA 118.841 -1.144 . . . . 0.0 110.972 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 84.0 Cg_exo -56.91 136.81 78.73 Favored 'Trans proline' 0 C--O 1.259 1.541 0 C-N-CA 123.305 2.67 . . . . 0.0 110.825 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.3 Cg_exo -57.1 -32.04 92.12 Favored 'Trans proline' 0 C--O 1.264 1.795 0 O-C-N 122.984 0.992 . . . . 0.0 113.568 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -68.49 -15.37 63.52 Favored 'General case' 0 C--O 1.261 1.669 0 O-C-N 119.87 -1.769 . . . . 0.0 112.169 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.95 -10.25 29.15 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.596 -1.315 . . . . 0.0 112.054 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -84.99 129.69 34.75 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 124.425 2.059 . . . . 0.0 115.669 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 116.04 24.28 Favored 'General case' 0 C--O 1.299 3.683 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 171.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.1 mt -103.59 130.22 50.98 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 119.597 1.09 . . . . 0.0 109.889 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.661 HD12 ' OD1' ' C' ' 79' ' ' ASP . 0.1 OUTLIER -122.03 131.86 72.22 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 O-C-N 125.066 1.479 . . . . 0.0 111.923 -177.558 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -144.41 129.57 18.65 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.21 46.06 19.88 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 112.257 -2.247 . . . . 0.0 110.735 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.71 21.65 60.95 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.564 2.983 . . . . 0.0 117.481 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -114.96 142.82 46.09 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -85.93 130.25 34.6 Favored 'General case' 0 C--O 1.257 1.479 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.44 137.99 37.44 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.206 -176.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.7 140.03 36.54 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.058 1.474 . . . . 0.0 110.02 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -47.9 -42.42 26.91 Favored 'General case' 0 C--O 1.264 1.831 0 N-CA-C 120.779 3.622 . . . . 0.0 120.779 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.78 -8.91 85.29 Favored Glycine 0 CA--C 1.49 -1.481 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -85.46 165.34 17.24 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 119.775 -2.015 . . . . 0.0 107.96 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 2.1 p -104.45 164.81 11.48 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mp -61.54 -36.04 79.46 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -29.4 70.52 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 117.253 -1.779 . . . . 0.0 112.231 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -39.57 70.68 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.46 1.124 . . . . 0.0 110.716 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -90.78 4.59 51.23 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 117.619 -1.182 . . . . 0.0 112.969 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 58.1 45.23 18.02 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 121.559 1.981 . . . . 0.0 111.188 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -88.69 116.57 30.59 Favored 'Isoleucine or valine' 0 C--O 1.266 1.944 0 CA-C-O 115.115 -2.374 . . . . 0.0 106.192 175.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.63 169.71 8.37 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 126.151 2.157 . . . . 0.0 109.326 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.86 142.95 27.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.262 1.506 . . . . 0.0 109.045 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 67.01 19.13 10.59 Favored 'General case' 0 C--O 1.255 1.379 0 N-CA-C 117.976 2.584 . . . . 0.0 117.976 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.15 159.5 34.57 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.1 126.79 52.47 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 118.19 -0.91 . . . . 0.0 108.814 175.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.18 154.56 19.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 114.685 -2.579 . . . . 0.0 105.583 175.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.412 ' O ' HG23 ' A' ' 44' ' ' ILE . 2.6 t-80 -105.63 135.66 46.62 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 127.474 2.984 . . . . 0.0 105.817 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tt -106.89 115.81 30.83 Favored 'General case' 0 C--O 1.286 2.978 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.478 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.0 t -107.99 139.96 28.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 174.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.2 138.93 33.09 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.342 0.591 . . . . 0.0 109.735 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 . . . . . 0 C--N 1.279 -2.496 0 CA-C-O 113.171 -3.299 . . . . 0.0 105.601 178.569 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -90.9 138.43 31.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 127.154 2.784 . . . . 0.0 108.837 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.13 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-O 115.85 -2.024 . . . . 0.0 105.907 173.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 1.318 ' HD1' ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -115.99 140.17 49.53 Favored 'General case' 0 N--CA 1.515 2.788 1 O-C-N 130.521 4.888 . . . . 0.0 108.593 179.75 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.476 ' N ' ' CD1' ' B' ' 4' ' ' PHE . 38.4 t -117.96 114.05 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.755 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.875 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.06 127.62 41.26 Favored 'General case' 0 N--CA 1.502 2.161 1 O-C-N 129.193 4.058 . . . . 0.0 108.164 -178.135 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.54 170.73 8.39 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.708 -1.139 . . . . 0.0 109.372 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.29 -6.99 49.61 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 124.101 0.876 . . . . 0.0 112.937 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.19 14.8 30.83 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 115.637 -2.425 . . . . 0.0 111.988 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.6 80.17 Favored Glycine 0 C--N 1.296 -1.687 0 O-C-N 120.351 -1.468 . . . . 0.0 116.074 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.14 137.93 34.49 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 174.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.9 131.9 55.38 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 126.39 2.306 . . . . 0.0 106.206 176.118 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -109.53 141.82 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 127.771 3.17 . . . . 0.0 109.05 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.0 p -101.17 139.94 36.16 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 116.939 -1.904 . . . . 0.0 108.392 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.58 154.02 44.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 115.515 -2.183 . . . . 0.0 108.356 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.78 121.12 44.22 Favored 'General case' 0 N--CA 1.496 1.825 1 O-C-N 129.212 4.07 . . . . 0.0 103.536 174.064 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.07 170.55 15.94 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 O-C-N 127.769 3.168 . . . . 0.0 111.219 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -119.99 144.58 37.87 Favored Pre-proline 0 C--N 1.312 -1.049 0 CA-C-N 112.093 -2.321 . . . . 0.0 106.315 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -54.93 -24.67 40.24 Favored 'Trans proline' 0 C--N 1.318 -1.059 0 C-N-CA 122.563 2.175 . . . . 0.0 111.505 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.6 t -79.87 -8.24 59.18 Favored 'General case' 0 C--O 1.242 0.711 0 O-C-N 121.139 -0.975 . . . . 0.0 110.935 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.98 148.49 47.61 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.409 -1.716 . . . . 0.0 109.737 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.673 ' O ' HG13 ' B' ' 26' ' ' VAL . 2.6 p -83.92 160.5 21.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.664 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.4 mp -61.43 -36.73 75.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 126.853 2.596 . . . . 0.0 110.41 175.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.798 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.22 -42.89 77.96 Favored 'General case' 0 C--O 1.253 1.268 0 O-C-N 120.481 -1.387 . . . . 0.0 110.952 176.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -64.38 -44.64 90.73 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 124.237 1.015 . . . . 0.0 111.433 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.673 HG13 ' O ' ' B' ' 22' ' ' THR . 0.9 OUTLIER -58.51 -46.39 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.282 -1.326 . . . . 0.0 108.893 179.004 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 31.4 mtmt -60.66 -38.12 83.83 Favored 'General case' 0 C--O 1.255 1.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.816 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.21 -37.98 86.86 Favored 'General case' 0 C--O 1.278 2.568 0 O-C-N 123.471 0.482 . . . . 0.0 111.391 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -63.93 -37.54 87.78 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 120.45 -1.407 . . . . 0.0 110.816 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -69.69 -39.74 78.46 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.95 -48.85 78.52 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 125.572 2.605 . . . . 0.0 108.995 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -41.81 66.07 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 113.566 -1.652 . . . . 0.0 111.906 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.327 1.7 mttt -93.31 -24.46 18.12 Favored 'General case' 0 C--O 1.28 2.709 0 N-CA-C 117.213 2.301 . . . . 0.0 117.213 -175.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -123.68 -6.33 8.04 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 122.933 2.606 . . . . 0.0 113.767 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.67 89.99 Favored Glycine 0 CA--C 1.475 -2.409 0 N-CA-C 118.782 2.273 . . . . 0.0 118.782 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.476 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 62.7 mt -79.95 125.03 82.79 Favored Pre-proline 0 C--O 1.241 0.632 0 C-N-CA 118.759 -1.176 . . . . 0.0 111.022 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 84.6 Cg_exo -57.17 137.03 79.97 Favored 'Trans proline' 0 C--O 1.256 1.402 0 C-N-CA 122.93 2.42 . . . . 0.0 110.876 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.4 Cg_exo -57.22 -32.27 93.06 Favored 'Trans proline' 0 C--O 1.26 1.609 0 O-C-N 123.044 1.023 . . . . 0.0 113.342 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.24 -15.57 63.63 Favored 'General case' 0 C--O 1.264 1.855 0 O-C-N 120.089 -1.632 . . . . 0.0 112.281 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.826 ' HB3' HD11 ' B' ' 71' ' ' LEU . 16.2 mm100 -95.44 -10.62 29.38 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.505 -1.372 . . . . 0.0 112.252 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -84.91 129.61 34.78 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 124.287 1.994 . . . . 0.0 115.7 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -121.14 116.09 24.31 Favored 'General case' 0 C--O 1.298 3.634 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 172.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' B' ' 50' ' ' LEU . 0.0 OUTLIER -103.5 130.32 50.85 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.487 1.039 . . . . 0.0 109.975 -177.609 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.606 HD11 ' O ' ' C' ' 99' ' ' LYS . 1.6 mt -121.99 131.62 72.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 O-C-N 125.075 1.484 . . . . 0.0 112.07 -177.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -144.27 129.88 19.1 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.9 19.6 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 111.889 -2.414 . . . . 0.0 110.71 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.93 20.24 59.78 Favored Glycine 0 C--N 1.298 -1.533 0 C-N-CA 128.159 2.79 . . . . 0.0 117.274 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -109.93 143.76 39.4 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 115.329 -2.272 . . . . 0.0 110.953 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' B' ' 49' ' ' GLN . 3.3 pm0 -87.07 130.46 34.48 Favored 'General case' 0 C--N 1.28 -2.451 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 173.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.464 ' HB2' HD13 ' B' ' 43' ' ' LEU . 15.6 mt -79.7 138.4 37.33 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 117.631 -1.176 . . . . 0.0 110.055 -175.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.664 ' O ' HD13 ' B' ' 23' ' ' ILE . 1.3 tm-20 -101.9 139.93 36.87 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 125.211 1.569 . . . . 0.0 109.976 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.798 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.7 OUTLIER -48.19 -42.01 28.69 Favored 'General case' 0 C--O 1.262 1.711 0 N-CA-C 120.813 3.634 . . . . 0.0 120.813 -175.805 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.32 -8.42 85.23 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 115.989 1.155 . . . . 0.0 115.989 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.578 ' O ' HD12 ' B' ' 23' ' ' ILE . 3.6 mmt85 -85.64 165.38 17.05 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.13 -1.806 . . . . 0.0 107.998 176.372 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 10.2 p -104.42 164.49 11.7 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.061 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.439 HD23 HG21 ' B' ' 61' ' ' ILE . 0.4 OUTLIER -61.06 -36.35 79.37 Favored 'General case' 0 C--O 1.199 -1.554 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 177.247 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.5 p -63.61 -29.89 71.07 Favored 'General case' 0 C--O 1.266 1.95 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.243 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.64 -39.07 70.38 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 122.506 1.146 . . . . 0.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -91.04 4.4 52.2 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.553 -1.213 . . . . 0.0 112.887 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.02 45.4 18.0 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 121.695 2.043 . . . . 0.0 111.242 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.439 HG21 HD23 ' B' ' 56' ' ' LEU . 74.3 mt -88.79 116.22 30.05 Favored 'Isoleucine or valine' 0 C--O 1.27 2.15 0 CA-C-O 115.045 -2.407 . . . . 0.0 106.273 175.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -103.33 169.57 8.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 126.088 2.117 . . . . 0.0 109.703 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.81 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 123.236 1.493 . . . . 0.0 109.26 -176.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.1 18.96 10.5 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 117.857 2.54 . . . . 0.0 117.857 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -71.06 159.55 34.52 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.604 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 0.6 OUTLIER -119.03 126.62 52.13 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 118.263 -0.875 . . . . 0.0 108.833 175.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.478 ' O ' ' HE1' ' B' ' 4' ' ' PHE . 10.1 mp -103.17 154.63 19.11 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 114.654 -2.593 . . . . 0.0 105.732 175.052 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.432 ' NE2' HG22 ' B' ' 70' ' ' VAL . 2.2 t60 -105.67 135.76 46.5 Favored 'General case' 0 C--N 1.282 -2.347 0 O-C-N 127.608 3.068 . . . . 0.0 105.71 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.07 115.81 30.83 Favored 'General case' 0 C--O 1.283 2.828 0 CA-C-O 117.617 -1.183 . . . . 0.0 111.491 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.432 HG22 ' NE2' ' B' ' 68' ' ' HIS . 91.2 t -108.15 139.91 28.59 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 103.495 -2.779 . . . . 0.0 103.495 175.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.826 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.37 0.37 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.119 0.485 . . . . 0.0 109.836 178.499 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.631 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.277 -2.574 0 CA-C-O 113.324 -3.227 . . . . 0.0 105.555 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 CA--C 1.51 -0.596 0 CA-C-O 121.64 0.734 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -89.09 137.86 31.94 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.552 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' C' ' 127' ' ' TYR . 2.9 mm? -70.2 -39.56 75.1 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.614 0.721 . . . . 0.0 111.881 172.468 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.4 136.14 21.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.423 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.31 148.07 34.32 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.512 165.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -161.08 155.22 22.77 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.245 0.966 . . . . 0.0 111.213 173.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.2 127.8 33.68 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.33 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.742 ' HB3' ' CG1' ' C' ' 47' ' ' VAL . . . -166.2 147.69 6.71 Favored 'General case' 0 C--O 1.251 1.135 0 CA-C-O 122.067 0.936 . . . . 0.0 110.045 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.95 164.83 25.19 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.13 -179.17 3.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 14.0 mtt -137.17 161.03 37.28 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -136.59 156.53 48.44 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.146 -1.422 . . . . 0.0 108.765 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.75 116.14 28.75 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.28 -116.09 8.67 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -113.91 14.46 18.52 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.332 -0.434 . . . . 0.0 109.944 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p -111.96 122.49 47.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.468 ' O ' HG13 ' C' ' 38' ' ' VAL . 7.4 p -76.13 120.02 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 17.9 m -124.05 119.38 26.58 Favored Pre-proline 0 C--O 1.244 0.815 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.141 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.99 134.85 59.05 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 117.879 -0.948 . . . . 0.0 111.872 173.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -85.62 132.13 34.22 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 172.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.91 -11.29 59.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.339 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.0 144.37 56.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -173.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 125.57 26.77 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 171.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.17 21.6 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.338 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -128.34 124.35 36.23 Favored 'General case' 0 N--CA 1.422 -1.841 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' VAL . . . . . 0.742 ' CG1' ' HB3' ' C' ' 28' ' ' ALA . 0.6 OUTLIER -90.94 137.52 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 164.639 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -151.97 157.78 42.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 122.067 0.937 . . . . 0.0 112.951 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 82.2 mt -118.79 131.06 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 113.455 -1.702 . . . . 0.0 108.417 174.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -134.02 137.69 44.89 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -100.21 122.13 42.53 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 170.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -84.09 171.18 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.204 0.526 . . . . 0.0 111.276 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.56 -10.46 59.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.7 7.4 15.0 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.255 -0.178 . . . . 0.0 110.99 171.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 73.91 -1.32 3.1 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.419 1.488 . . . . 0.0 114.647 -177.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 35.0 mt -74.95 149.97 39.2 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 119.197 -1.001 . . . . 0.0 113.007 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 mp -102.18 129.09 54.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.147 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 19.1 m80 -117.61 125.26 50.44 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 59' ' ' PHE . . . . . 0.502 ' CE1' HG13 ' C' ' 124' ' ' VAL . 0.2 OUTLIER -98.72 119.0 36.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.194 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 60.3 m -127.74 156.83 41.81 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -171.232 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 61' ' ' TRP . . . . . 0.652 ' NE1' HG12 ' C' ' 47' ' ' VAL . 1.9 m-90 -130.36 128.25 41.05 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.778 169.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -120.66 134.42 55.28 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.749 -176.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.32 115.35 13.74 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -32.47 74.02 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 76.6 p -72.51 -46.11 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -175.011 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.41 -20.58 21.64 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.54 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.65 2.66 61.03 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.63 -0.539 . . . . 0.0 113.686 -171.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -72.44 130.0 39.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.718 1.259 . . . . 0.0 113.195 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 69' ' ' VAL . . . . . 0.404 HG22 ' H ' ' C' ' 69' ' ' VAL . 1.0 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -94.54 -28.83 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.931 -171.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -121.99 135.55 54.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.838 0.828 . . . . 0.0 109.415 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -155.01 103.32 2.39 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 104.445 -2.428 . . . . 0.0 104.445 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.03 123.25 45.22 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.347 -174.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 6.7 mt -75.83 124.23 33.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.456 1.122 . . . . 0.0 111.684 168.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 46.0 mm -122.98 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.43 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.613 -174.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -101.24 158.95 30.81 Favored Pre-proline 0 C--O 1.242 0.671 0 O-C-N 124.338 1.024 . . . . 0.0 110.888 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.35 133.86 58.22 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.9 2.4 . . . . 0.0 111.353 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.6 6.79 5.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 116.639 2.089 . . . . 0.0 116.639 -175.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 79' ' ' ASP . . . . . 0.694 ' O ' ' HD2' ' C' ' 98' ' ' PHE . 3.4 m-20 -70.34 -33.67 71.76 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.032 0.833 . . . . 0.0 109.58 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 18.0 p -154.94 168.16 27.9 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 118.424 -1.31 . . . . 0.0 113.612 -173.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -133.37 139.34 46.75 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.494 -1.684 . . . . 0.0 106.998 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' C' ' 94' ' ' TYR . 4.9 t80 -106.8 124.25 49.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -148.54 156.47 42.48 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -67.83 142.81 56.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.392 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.15 98.3 2.79 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 171.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.06 -31.92 91.34 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 N-CA-C 117.717 2.16 . . . . 0.0 117.717 -167.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -91.05 8.51 35.08 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.968 -1.493 . . . . 0.0 112.217 -164.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.08 119.73 72.79 Favored Pre-proline 0 CA--C 1.514 -0.413 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -57.0 -19.86 34.36 Favored 'Trans proline' 0 C--N 1.347 0.484 0 O-C-N 122.929 0.963 . . . . 0.0 114.43 -173.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.51 -34.66 78.78 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.437 0.562 . . . . 0.0 110.069 177.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.52 13.04 64.94 Favored Glycine 0 CA--C 1.506 -0.491 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.546 -172.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -120.97 17.1 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.296 1.962 . . . . 0.0 116.296 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 73.3 t -96.98 133.39 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 94' ' ' TYR . . . . . 0.462 ' HB3' ' CE2' ' C' ' 82' ' ' PHE . 32.4 m-85 -125.02 151.74 45.19 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.479 1.737 . . . . 0.0 110.449 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -126.99 135.37 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.44 108.18 20.38 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 169.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -109.31 125.12 51.98 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -171.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.704 ' CD1' ' O ' ' C' ' 100' ' ' ALA . 9.1 t80 -84.71 115.64 22.8 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.141 0.9 . . . . 0.0 109.276 176.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 99' ' ' LYS . . . . . 0.606 ' O ' HD11 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.36 -25.17 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.371 -169.597 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 100' ' ' ALA . . . . . 0.704 ' O ' ' CD1' ' C' ' 98' ' ' PHE . . . -111.32 115.15 28.83 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.653 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.91 172.33 27.7 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 -172.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.32 8.98 33.4 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.058 -0.672 . . . . 0.0 110.497 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.69 129.21 38.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.897 -1.521 . . . . 0.0 110.593 -165.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.02 141.81 46.25 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.919 175.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.53 126.16 45.38 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 171.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -100.87 143.63 30.79 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 124.701 1.251 . . . . 0.0 110.259 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 107' ' ' PHE . . . . . 0.435 ' CZ ' ' CH2' ' C' ' 61' ' ' TRP . 9.1 m-85 -137.0 156.71 48.09 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.314 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.54 126.56 35.2 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.387 175.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.66 137.74 58.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.224 -174.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.83 3.96 11.55 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.574 -1.193 . . . . 0.0 110.268 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.25 135.86 93.78 Favored Pre-proline 0 C--O 1.266 1.947 0 CA-C-O 123.163 1.458 . . . . 0.0 108.622 172.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.29 -41.37 42.48 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.61 -1.127 . . . . 0.0 112.419 -174.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -96.03 146.92 24.23 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.159 0.504 . . . . 0.0 110.501 173.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.5 m -83.42 -9.36 59.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.136 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.5 -33.83 55.82 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.483 0.713 . . . . 0.0 112.799 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -103.18 5.79 37.95 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -56.8 -48.87 76.96 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.309 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -32.3 70.76 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.582 -173.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -44.13 80.28 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.901 0.381 . . . . 0.0 110.881 175.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -55.64 -45.78 77.57 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.02 -1.05 . . . . 0.0 112.288 173.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 121' ' ' CYS . . . . . 0.448 ' HG ' ' HD2' ' C' ' 94' ' ' TYR . 3.9 t -60.67 -43.07 98.09 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.619 0.723 . . . . 0.0 110.291 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.89 -43.46 98.81 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.096 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -64.33 -42.27 96.37 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 124' ' ' VAL . . . . . 0.502 HG13 ' CE1' ' C' ' 59' ' ' PHE . 3.6 t -52.23 -51.9 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.452 175.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 125' ' ' ASN . . . . . 0.534 ' HA ' HD23 ' C' ' 128' ' ' LEU . 30.7 t30 -60.34 -39.54 87.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -65.25 -46.1 81.91 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.381 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 127' ' ' TYR . . . . . 0.499 ' CE2' HD12 ' C' ' 23' ' ' LEU . 80.2 m-85 -78.92 -24.56 43.97 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.537 -0.865 . . . . 0.0 112.386 -174.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.05 -36.07 41.58 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.769 -0.773 . . . . 0.0 112.284 174.559 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 129' ' ' ASN . . . . . 0.472 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 56.5 t30 -110.77 -11.04 14.43 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -168.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -141.2 71.79 27.3 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 169.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.89 171.8 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.578 1.518 . . . . 0.0 111.589 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo . . . . . 0 C--N 1.29 -2.514 0 C-N-CA 122.469 2.112 . . . . 0.0 111.641 179.749 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 mmm . . . . . 0 CA--C 1.549 0.939 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.19 138.15 31.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 126.834 2.584 . . . . 0.0 108.912 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pt -131.21 163.01 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 173.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.98 140.23 49.47 Favored 'General case' 0 N--CA 1.513 2.693 1 O-C-N 130.459 4.849 . . . . 0.0 108.748 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.09 114.22 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.583 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 127.51 41.27 Favored 'General case' 0 N--CA 1.506 2.345 1 O-C-N 129.322 4.139 . . . . 0.0 107.968 -178.141 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.3 p -99.56 170.83 8.32 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.352 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -6.92 49.42 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 124.132 0.895 . . . . 0.0 112.647 -177.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.48 14.88 30.6 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 115.773 -2.371 . . . . 0.0 111.995 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.8 80.09 Favored Glycine 0 C--N 1.297 -1.607 0 O-C-N 120.262 -1.524 . . . . 0.0 116.071 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.55 138.08 34.67 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 175.027 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.8 p -119.98 131.68 55.25 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 126.543 2.402 . . . . 0.0 105.986 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mm -109.56 141.93 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 127.626 3.079 . . . . 0.0 108.871 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 t -101.36 139.71 36.65 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.104 -1.839 . . . . 0.0 108.199 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.39 154.12 44.03 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 115.332 -2.271 . . . . 0.0 108.323 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -111.95 121.04 43.91 Favored 'General case' 0 N--CA 1.499 1.982 1 O-C-N 129.339 4.15 . . . . 0.0 103.672 173.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -139.0 170.65 15.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.38 0 O-C-N 127.493 2.996 . . . . 0.0 111.152 -177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -119.98 144.59 37.85 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 112.309 -2.223 . . . . 0.0 106.309 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -24.4 40.12 Favored 'Trans proline' 0 C--N 1.321 -0.897 0 C-N-CA 122.489 2.126 . . . . 0.0 111.942 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -8.11 59.15 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.924 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.04 148.5 47.5 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 117.402 -1.719 . . . . 0.0 109.802 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.74 160.49 21.26 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 175.855 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.227 HG21 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.48 -37.05 76.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 O-C-N 127.184 2.803 . . . . 0.0 110.291 175.796 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -40.08 78.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.288 -0.883 . . . . 0.0 110.824 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.35 -41.85 80.07 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 121.86 -0.525 . . . . 0.0 110.982 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.2 t -58.24 -46.43 88.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 124.462 1.101 . . . . 0.0 109.15 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -60.81 -38.08 84.16 Favored 'General case' 0 C--O 1.259 1.553 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.689 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.0 87.16 Favored 'General case' 0 C--O 1.277 2.53 0 CA-C-N 118.129 0.422 . . . . 0.0 111.183 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -37.59 87.99 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-O 123.088 1.423 . . . . 0.0 110.669 176.036 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.455 HG21 ' OE1' ' A' ' 41' ' ' GLN . 2.9 mt -70.03 -39.48 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -48.72 78.74 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 125.551 2.596 . . . . 0.0 109.081 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.18 -41.69 65.48 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 113.405 -1.725 . . . . 0.0 111.989 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.319 19.2 tttm -93.61 -24.31 17.97 Favored 'General case' 0 C--O 1.28 2.708 0 N-CA-C 117.188 2.292 . . . . 0.0 117.188 -175.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.34 -6.58 8.21 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 123.064 2.666 . . . . 0.0 114.194 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.65 89.97 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.882 2.313 . . . . 0.0 118.882 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.493 HG21 HE21 ' A' ' 41' ' ' GLN . 27.2 mm -79.73 124.81 83.33 Favored Pre-proline 0 C--O 1.244 0.793 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.978 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.2 Cg_exo -57.02 136.78 78.71 Favored 'Trans proline' 0 C--O 1.258 1.495 0 C-N-CA 123.369 2.713 . . . . 0.0 110.779 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.6 Cg_exo -57.08 -32.05 92.12 Favored 'Trans proline' 0 C--O 1.262 1.702 0 O-C-N 123.05 1.026 . . . . 0.0 113.568 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.47 -15.28 63.49 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.9 -1.75 . . . . 0.0 112.163 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.0 -10.3 28.92 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.615 -1.303 . . . . 0.0 112.001 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.493 HE21 HG21 ' A' ' 36' ' ' ILE . 2.1 mm-40 -84.85 129.47 34.81 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 124.398 2.047 . . . . 0.0 115.777 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.92 116.08 24.45 Favored 'General case' 0 C--O 1.299 3.659 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 171.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mp -103.48 130.24 50.8 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 119.506 1.048 . . . . 0.0 109.974 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.1 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 125.145 1.528 . . . . 0.0 111.868 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -144.39 129.47 18.58 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.19 19.69 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.324 -2.216 . . . . 0.0 110.675 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' HA2' ' OD2' ' C' ' 79' ' ' ASP . . . 61.59 21.82 60.88 Favored Glycine 0 N--CA 1.431 -1.662 0 C-N-CA 128.608 3.004 . . . . 0.0 117.497 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -115.14 142.81 46.14 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.9 130.36 34.57 Favored 'General case' 0 C--O 1.257 1.497 0 N-CA-C 103.73 -2.693 . . . . 0.0 103.73 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 tp -79.6 138.15 37.35 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.153 -175.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 1.227 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -101.81 140.15 36.49 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 125.042 1.464 . . . . 0.0 109.977 -177.753 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.827 ' O ' HG23 ' A' ' 23' ' ' ILE . 72.8 m-20 -47.98 -42.59 28.19 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 120.72 3.6 . . . . 0.0 120.72 -175.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.56 -8.85 85.57 Favored Glycine 0 CA--C 1.489 -1.561 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.801 ' O ' HG22 ' A' ' 23' ' ' ILE . 6.4 mmm-85 -85.36 165.44 17.25 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 119.792 -2.004 . . . . 0.0 108.0 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 0.6 OUTLIER -104.64 164.83 11.48 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 177.035 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.56 -36.1 79.67 Favored 'General case' 0 C--O 1.203 -1.349 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -29.43 70.55 Favored 'General case' 0 C--O 1.269 2.086 0 C-N-CA 117.313 -1.755 . . . . 0.0 112.157 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -39.7 70.7 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 122.448 1.118 . . . . 0.0 110.694 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -90.73 4.69 50.84 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.032 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.12 45.14 18.11 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 121.589 1.995 . . . . 0.0 111.182 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -88.68 116.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.266 1.954 0 CA-C-O 115.227 -2.321 . . . . 0.0 106.282 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.49 169.74 8.35 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 125.999 2.062 . . . . 0.0 109.37 -176.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.01 142.88 28.42 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 123.239 1.495 . . . . 0.0 109.096 -176.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.49 ' O ' HD22 ' B' ' 8' ' ' LEU . 1.8 mp0 67.14 19.16 10.44 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 117.916 2.561 . . . . 0.0 117.916 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -71.18 159.51 34.52 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.16 126.72 52.27 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-O 118.173 -0.918 . . . . 0.0 108.805 175.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mt -103.07 154.52 19.18 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 114.839 -2.505 . . . . 0.0 105.657 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -105.63 135.75 46.48 Favored 'General case' 0 C--N 1.288 -2.067 0 O-C-N 127.352 2.907 . . . . 0.0 105.826 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -106.96 115.78 30.78 Favored 'General case' 0 C--O 1.285 2.966 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.405 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.01 139.84 28.65 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.921 0 N-CA-C 103.612 -2.736 . . . . 0.0 103.612 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.0 138.9 32.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.291 0.567 . . . . 0.0 109.898 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 . . . . . 0 C--N 1.278 -2.516 0 CA-C-O 113.176 -3.297 . . . . 0.0 105.531 178.505 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.92 138.48 31.57 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 127.066 2.729 . . . . 0.0 108.776 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.429 ' CD1' HG23 ' B' ' 61' ' ' ILE . 0.8 OUTLIER -131.16 163.02 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 CA-C-O 115.734 -2.079 . . . . 0.0 105.985 173.122 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -115.85 140.17 49.49 Favored 'General case' 0 N--CA 1.514 2.766 1 O-C-N 130.644 4.965 . . . . 0.0 108.615 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.99 114.05 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 113.446 -3.168 . . . . 0.0 105.786 175.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.05 127.61 41.24 Favored 'General case' 0 N--CA 1.503 2.192 1 O-C-N 129.184 4.053 . . . . 0.0 108.153 -178.134 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.664 HG22 ' O ' ' B' ' 11' ' ' LYS . 9.8 t -99.63 170.86 8.28 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.49 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -73.32 -7.08 50.06 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 124.122 0.889 . . . . 0.0 112.839 -178.243 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.576 ' H ' HG23 ' B' ' 7' ' ' THR . 0.6 OUTLIER -101.13 14.81 30.78 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 115.63 -2.428 . . . . 0.0 112.033 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.65 80.15 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.241 -1.537 . . . . 0.0 116.114 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.664 ' O ' HG22 ' B' ' 7' ' ' THR . 0.0 OUTLIER -96.16 137.82 34.67 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 174.849 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 70.0 p -119.93 131.87 55.34 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 126.452 2.345 . . . . 0.0 106.154 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.43 141.81 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 127.721 3.138 . . . . 0.0 109.121 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.3 m -101.23 139.83 36.36 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 117.014 -1.874 . . . . 0.0 108.371 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.52 154.1 44.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.512 -2.185 . . . . 0.0 108.351 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.82 121.16 44.29 Favored 'General case' 0 N--CA 1.496 1.846 1 O-C-N 129.259 4.1 . . . . 0.0 103.575 174.07 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.09 170.6 15.84 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 O-C-N 127.761 3.163 . . . . 0.0 111.171 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -120.07 144.68 38.22 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 112.139 -2.3 . . . . 0.0 106.298 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -54.87 -24.91 40.92 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 C-N-CA 122.696 2.264 . . . . 0.0 111.49 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.6 t -79.77 -8.17 59.09 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.892 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.06 148.53 47.44 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 117.247 -1.781 . . . . 0.0 109.782 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.678 ' O ' HG13 ' B' ' 26' ' ' VAL . 2.5 p -83.89 160.58 21.09 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.67 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.5 mp -61.4 -36.8 75.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 126.964 2.665 . . . . 0.0 110.423 175.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -42.85 77.87 Favored 'General case' 0 C--O 1.252 1.197 0 O-C-N 120.463 -1.398 . . . . 0.0 111.0 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -44.56 90.91 Favored 'General case' 0 C--O 1.251 1.14 0 C-N-CA 124.172 0.989 . . . . 0.0 111.455 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.678 HG13 ' O ' ' B' ' 22' ' ' THR . 0.9 OUTLIER -58.6 -46.28 90.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.877 1.36 . . . . 0.0 109.004 178.93 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 22.3 mttm -60.71 -37.91 83.29 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.934 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.37 -38.02 86.63 Favored 'General case' 0 C--O 1.279 2.655 0 O-C-N 123.367 0.417 . . . . 0.0 111.307 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -64.06 -37.38 87.21 Favored 'General case' 0 C--O 1.253 1.289 0 O-C-N 120.39 -1.444 . . . . 0.0 110.833 175.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -39.74 78.3 Favored 'Isoleucine or valine' 0 C--O 1.253 1.273 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -48.91 78.3 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 125.538 2.589 . . . . 0.0 108.991 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.3 -41.83 66.03 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.882 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.8 OUTLIER -93.34 -24.33 18.15 Favored 'General case' 0 C--O 1.28 2.674 0 N-CA-C 117.272 2.323 . . . . 0.0 117.272 -175.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -123.64 -6.29 8.06 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 122.926 2.603 . . . . 0.0 113.851 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.81 5.67 89.9 Favored Glycine 0 CA--C 1.476 -2.379 0 N-CA-C 118.814 2.286 . . . . 0.0 118.814 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.5 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 13.3 mt -79.84 125.02 83.0 Favored Pre-proline 0 C--O 1.242 0.708 0 C-N-CA 118.698 -1.201 . . . . 0.0 111.102 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 95.4 Cg_exo -57.07 137.0 79.98 Favored 'Trans proline' 0 C--O 1.256 1.399 0 C-N-CA 122.921 2.414 . . . . 0.0 110.908 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.3 Cg_exo -57.31 -32.15 92.96 Favored 'Trans proline' 0 C--O 1.262 1.688 0 O-C-N 123.136 1.072 . . . . 0.0 113.32 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -68.29 -15.56 63.61 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 119.926 -1.734 . . . . 0.0 112.328 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.543 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.53 -10.57 29.29 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.538 -1.351 . . . . 0.0 112.207 178.414 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.401 ' NE2' HD13 ' B' ' 43' ' ' LEU . 44.2 tt0 -84.92 129.65 34.77 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 124.289 1.995 . . . . 0.0 115.711 -177.485 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -121.21 116.04 24.17 Favored 'General case' 0 C--O 1.298 3.655 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.401 HD13 ' NE2' ' B' ' 41' ' ' GLN . 6.2 tp -103.48 130.33 50.83 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.459 1.027 . . . . 0.0 110.054 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.599 HD11 ' O ' ' C' ' 99' ' ' LYS . 2.6 mt -122.07 131.61 72.78 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 125.194 1.559 . . . . 0.0 111.941 -177.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -144.3 129.77 18.97 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.29 45.84 20.18 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 112.001 -2.363 . . . . 0.0 110.712 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.92 20.22 59.73 Favored Glycine 0 C--N 1.299 -1.526 0 C-N-CA 128.256 2.836 . . . . 0.0 117.316 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -109.86 143.82 39.21 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 115.407 -2.235 . . . . 0.0 110.945 174.189 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.595 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.4 OUTLIER -87.22 130.34 34.6 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 103.995 -2.594 . . . . 0.0 103.995 173.338 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.63 138.48 37.42 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.086 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.67 ' O ' HD13 ' B' ' 23' ' ' ILE . 1.9 tp10 -101.93 140.03 36.77 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 125.203 1.564 . . . . 0.0 109.951 -177.586 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -48.31 -42.08 30.03 Favored 'General case' 0 C--O 1.263 1.798 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.27 -8.45 85.28 Favored Glycine 0 CA--C 1.493 -1.332 0 N-CA-C 116.0 1.16 . . . . 0.0 116.0 -177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.554 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -85.63 165.29 17.14 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.126 -1.808 . . . . 0.0 108.034 176.337 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 11.9 t -104.35 164.49 11.7 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.04 -36.44 79.57 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' SER . . . . . 0.431 ' N ' HG23 ' B' ' 55' ' ' THR . 0.9 OUTLIER -63.62 -29.66 70.87 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.27 -1.772 . . . . 0.0 112.323 -179.497 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -39.15 70.61 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 122.553 1.168 . . . . 0.0 110.761 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -91.04 4.56 51.78 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 117.521 -1.228 . . . . 0.0 112.883 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.86 45.35 18.58 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 121.703 2.047 . . . . 0.0 111.364 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.471 HG22 ' O ' ' B' ' 61' ' ' ILE . 0.1 OUTLIER -88.76 116.21 30.01 Favored 'Isoleucine or valine' 0 C--O 1.272 2.243 0 CA-C-O 115.065 -2.397 . . . . 0.0 106.359 175.819 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.29 169.52 8.5 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 126.072 2.107 . . . . 0.0 109.765 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 142.99 26.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 123.109 1.433 . . . . 0.0 109.234 -176.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 66.92 19.09 10.65 Favored 'General case' 0 C--O 1.257 1.48 0 N-CA-C 117.867 2.543 . . . . 0.0 117.867 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.17 159.57 34.44 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.98 126.62 52.16 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 118.159 -0.924 . . . . 0.0 108.793 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.16 154.56 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.723 -2.56 . . . . 0.0 105.701 175.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -105.62 135.84 46.3 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 127.57 3.044 . . . . 0.0 105.646 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.1 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.85 0 CA-C-O 117.65 -1.166 . . . . 0.0 111.39 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.406 ' HA ' HD21 ' B' ' 8' ' ' LEU . 88.7 t -108.18 139.92 28.61 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 103.452 -2.795 . . . . 0.0 103.452 175.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.585 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.5 tt -96.06 -83.39 0.37 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.081 0.467 . . . . 0.0 109.943 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.517 ' CB ' ' HA2' ' C' ' 101' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.277 -2.55 0 CA-C-O 113.366 -3.207 . . . . 0.0 105.431 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.604 0.716 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -89.01 137.87 31.92 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.591 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' C' ' 127' ' ' TYR . 3.2 mt -70.2 -39.57 75.09 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.699 0.761 . . . . 0.0 111.881 172.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -144.34 136.04 21.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 125.283 1.433 . . . . 0.0 107.484 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.33 148.05 34.27 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 118.931 0.787 . . . . 0.0 110.638 165.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -161.01 155.15 22.8 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.271 0.982 . . . . 0.0 111.21 173.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -72.18 127.84 33.8 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.32 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.19 147.69 6.72 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.077 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.83 25.12 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 108.279 -1.928 . . . . 0.0 108.279 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.11 -179.19 3.78 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' MET . . . . . 0.731 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.2 mpt? -137.15 161.06 37.19 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 174.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 45.2 m -136.68 156.52 48.42 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.101 -1.439 . . . . 0.0 108.755 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.76 116.15 28.76 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.35 115.84 29.38 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.09 8.67 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.61 18.46 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.348 -0.426 . . . . 0.0 110.018 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.8 m -112.01 122.49 47.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -172.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 47.4 t -76.11 120.05 25.35 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.14 119.34 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.207 -173.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 40' ' ' PRO . . . . . 0.731 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 32.3 Cg_exo -59.85 134.8 59.3 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.892 -0.939 . . . . 0.0 111.873 173.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -85.71 132.18 34.19 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 172.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.19 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -172.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.1 144.45 56.09 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -173.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -68.1 125.52 26.63 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 171.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.39 171.28 21.58 Favored Glycine 0 C--N 1.318 -0.462 0 CA-C-O 123.223 1.457 . . . . 0.0 115.35 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -128.39 124.39 36.22 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 m -90.92 137.54 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 164.569 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -151.95 157.78 42.23 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.056 0.932 . . . . 0.0 112.944 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 10.3 mt -118.82 131.04 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.305 174.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -133.99 137.65 44.92 Favored 'General case' 0 CA--C 1.493 -1.23 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.24 122.16 42.61 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 170.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.5 p -84.11 171.08 13.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.267 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -71.53 -10.42 59.74 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.638 -0.825 . . . . 0.0 113.195 -170.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 3.6 m 73.87 -1.35 3.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.386 1.474 . . . . 0.0 114.717 -177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.94 149.82 39.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 119.21 -0.996 . . . . 0.0 113.112 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.415 HD13 ' HG3' ' C' ' 131' ' ' PRO . 0.0 OUTLIER -102.1 129.14 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.223 -177.667 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.65 125.33 50.55 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -176.478 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -98.79 119.05 36.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 26.6 m -127.72 156.78 41.86 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -171.193 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -130.43 128.26 40.95 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.615 -1.63 . . . . 0.0 108.734 169.27 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -120.66 134.3 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.027 -1.442 . . . . 0.0 109.745 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.22 115.33 13.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 173.288 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -64.0 -32.43 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 40.9 p -72.51 -46.14 56.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -175.068 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 10.4 t -91.43 -20.57 21.64 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.52 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 2.61 60.87 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 119.755 -0.469 . . . . 0.0 113.771 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.46 129.97 39.57 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.645 1.222 . . . . 0.0 113.129 178.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.18 109.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -94.54 -28.82 15.22 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.946 -171.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.99 135.53 54.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.837 0.827 . . . . 0.0 109.407 177.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.97 103.4 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.08 123.17 44.97 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.276 -174.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -75.73 124.29 33.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 122.336 1.065 . . . . 0.0 111.695 168.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.699 HD12 ' SG ' ' C' ' 80' ' ' CYS . 0.5 OUTLIER -123.03 130.36 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.43 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.613 -174.457 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.26 158.94 30.84 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.317 1.01 . . . . 0.0 110.885 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -54.33 133.92 58.41 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.864 2.376 . . . . 0.0 111.31 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.81 5.89 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 79' ' ' ASP . . . . . 0.498 ' C ' ' SG ' ' C' ' 80' ' ' CYS . 24.1 t0 -70.39 -33.57 71.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.986 0.812 . . . . 0.0 109.623 176.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.699 ' SG ' HD12 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -154.91 168.14 27.96 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 118.431 -1.308 . . . . 0.0 113.665 -173.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -133.36 139.36 46.77 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 113.478 -1.692 . . . . 0.0 107.008 -178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -106.75 124.16 49.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -148.54 156.44 42.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -67.75 142.86 56.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.438 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 72.4 t -94.29 98.37 2.9 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -61.0 -31.96 91.83 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 N-CA-C 117.788 2.188 . . . . 0.0 117.788 -167.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.12 8.63 34.66 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.198 -164.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 4.6 t -85.06 119.62 72.7 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -56.96 -19.87 34.16 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.369 -173.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.7 m -65.57 -34.58 78.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.457 0.571 . . . . 0.0 110.06 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.48 12.97 64.73 Favored Glycine 0 CA--C 1.505 -0.568 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.516 -172.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -120.98 17.1 11.73 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 93.5 t -97.06 133.48 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -125.07 151.78 45.21 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.46 1.725 . . . . 0.0 110.437 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.02 135.39 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 32.1 tp -95.48 108.16 20.36 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -109.27 125.16 52.0 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -171.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' C' ' 98' ' ' PHE . 8.9 m-30 -84.79 115.6 22.81 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.058 0.849 . . . . 0.0 109.202 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 99' ' ' LYS . . . . . 0.599 ' O ' HD11 ' B' ' 44' ' ' ILE . 4.9 mtmt -63.36 -25.25 68.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.371 -169.601 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.19 115.2 28.98 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 101' ' ' GLY . . . . . 0.517 ' HA2' ' CB ' ' B' ' 72' ' ' ARG . . . 101.89 172.43 27.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -172.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 41.2 t -91.43 9.0 33.6 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.054 -0.674 . . . . 0.0 110.525 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.66 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.72 46.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.967 175.781 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -124.44 126.14 45.43 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 106' ' ' PHE . . . . . 0.42 ' CB ' ' SD ' ' C' ' 31' ' ' MET . 39.3 m-85 -100.8 143.66 30.69 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 124.771 1.294 . . . . 0.0 110.302 -177.517 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -137.14 156.65 48.1 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.263 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -131.42 126.53 35.35 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.408 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.6 137.75 58.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.312 -174.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.85 3.93 11.54 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.274 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 135.94 93.86 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.188 1.47 . . . . 0.0 108.623 172.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.27 -41.4 42.44 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.611 -1.126 . . . . 0.0 112.377 -174.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -96.08 146.93 24.23 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.159 0.504 . . . . 0.0 110.487 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 14.8 t -83.43 -9.3 59.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.154 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.57 -33.79 56.02 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 123.389 0.676 . . . . 0.0 112.79 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -103.27 5.92 37.78 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -174.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -56.94 -48.81 77.43 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.256 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -69.83 -32.24 70.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.56 -173.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -67.27 -44.06 80.3 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.904 0.383 . . . . 0.0 110.96 175.447 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -55.54 -45.85 77.18 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.02 -1.05 . . . . 0.0 112.326 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 7.1 t -60.73 -43.03 98.39 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.65 0.738 . . . . 0.0 110.232 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -43.53 98.65 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.115 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -64.21 -42.29 96.67 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 82.9 t -52.27 -51.85 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.478 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -60.41 -39.51 87.63 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -65.29 -46.05 81.96 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.446 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 127' ' ' TYR . . . . . 0.501 ' CD2' HD22 ' C' ' 23' ' ' LEU . 37.0 m-85 -79.0 -24.43 43.73 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 119.435 -0.906 . . . . 0.0 112.39 -174.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.448 ' HG ' HG21 ' C' ' 75' ' ' ILE . 2.0 mp -79.11 -36.03 41.31 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.731 -0.788 . . . . 0.0 112.274 174.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.76 -11.06 14.43 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -168.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -141.16 71.82 27.5 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 169.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 131' ' ' PRO . . . . . 0.415 ' HG3' HD13 ' C' ' 57' ' ' ILE . 80.5 Cg_exo -44.61 163.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.342 0 C-N-CA 121.639 1.559 . . . . 0.0 111.642 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 C--N 1.29 -2.513 0 C-N-CA 122.471 2.114 . . . . 0.0 111.534 -179.719 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mmm . . . . . 0 CA--C 1.549 0.928 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -91.07 138.18 31.8 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 126.908 2.63 . . . . 0.0 108.86 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 pt -131.25 163.06 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 1.017 ' CE1' ' HB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -116.0 140.23 49.47 Favored 'General case' 0 N--CA 1.512 2.67 1 O-C-N 130.497 4.873 . . . . 0.0 108.784 179.618 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.715 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -118.02 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.624 175.738 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.794 ' CB ' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -95.23 127.52 41.34 Favored 'General case' 0 N--CA 1.506 2.368 1 O-C-N 129.334 4.146 . . . . 0.0 107.951 -178.169 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 11' ' ' LYS . 10.7 t -99.56 170.78 8.36 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.34 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.9 mt -73.33 -7.07 50.03 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.129 0.893 . . . . 0.0 112.662 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.575 ' H ' HG23 ' A' ' 7' ' ' THR . 0.6 OUTLIER -101.51 15.12 29.89 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 115.715 -2.394 . . . . 0.0 112.006 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.67 80.23 Favored Glycine 0 C--N 1.297 -1.638 0 O-C-N 120.247 -1.533 . . . . 0.0 116.135 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.644 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.45 138.08 34.57 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 175.045 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 1.017 ' HB ' ' CE1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -119.9 131.6 55.28 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 126.696 2.497 . . . . 0.0 105.929 176.412 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.52 141.97 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 127.61 3.069 . . . . 0.0 108.898 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.44 139.71 36.73 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.163 -1.815 . . . . 0.0 108.189 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.47 154.05 44.25 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.291 -179.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -111.83 121.08 44.09 Favored 'General case' 0 N--CA 1.5 2.053 1 O-C-N 129.261 4.1 . . . . 0.0 103.638 173.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.97 170.61 15.96 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 O-C-N 127.663 3.102 . . . . 0.0 111.161 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -119.96 144.54 37.71 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.334 -2.212 . . . . 0.0 106.322 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -55.03 -24.31 39.41 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 122.513 2.142 . . . . 0.0 111.952 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.6 p -80.06 -8.07 59.19 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.868 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.05 148.37 47.61 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 117.471 -1.692 . . . . 0.0 109.774 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -83.74 160.56 21.24 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.753 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.6 mp -61.55 -37.06 76.97 Favored 'Isoleucine or valine' 0 C--O 1.245 0.855 0 O-C-N 127.161 2.788 . . . . 0.0 110.209 175.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -40.26 78.22 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.368 -0.833 . . . . 0.0 110.736 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.26 -41.95 80.34 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 121.948 -0.47 . . . . 0.0 110.958 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.14 -46.37 88.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -60.91 -37.92 83.95 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.671 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.03 87.05 Favored 'General case' 0 C--O 1.277 2.516 0 CA-C-N 118.176 0.443 . . . . 0.0 111.184 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -37.57 87.91 Favored 'General case' 0 C--O 1.255 1.345 0 CA-C-O 123.063 1.411 . . . . 0.0 110.685 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 mt -69.9 -39.54 77.73 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -48.68 78.94 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 125.553 2.597 . . . . 0.0 109.137 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -41.72 66.21 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 113.383 -1.735 . . . . 0.0 111.857 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -93.52 -24.33 18.02 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.253 2.316 . . . . 0.0 117.253 -175.894 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -123.37 -6.42 8.21 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.041 2.655 . . . . 0.0 114.259 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.59 90.01 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.908 2.323 . . . . 0.0 118.908 176.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.6 mt -79.82 124.79 83.19 Favored Pre-proline 0 C--O 1.244 0.808 0 C-N-CA 118.791 -1.163 . . . . 0.0 110.916 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 81.4 Cg_exo -57.02 136.9 79.44 Favored 'Trans proline' 0 C--O 1.258 1.495 0 C-N-CA 123.311 2.674 . . . . 0.0 110.737 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.4 Cg_exo -57.15 -31.99 92.11 Favored 'Trans proline' 0 C--O 1.261 1.648 0 O-C-N 123.0 1.0 . . . . 0.0 113.666 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.51 -15.31 63.5 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 119.904 -1.747 . . . . 0.0 112.228 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -95.96 -10.18 29.29 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.704 -1.248 . . . . 0.0 112.079 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -84.96 129.65 34.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 124.454 2.073 . . . . 0.0 115.673 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.03 116.03 24.27 Favored 'General case' 0 C--O 1.3 3.755 0 N-CA-C 104.976 -2.231 . . . . 0.0 104.976 171.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.51 130.14 50.83 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 119.61 1.096 . . . . 0.0 109.96 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -121.93 131.77 72.39 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 125.068 1.48 . . . . 0.0 112.011 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -144.31 129.58 18.77 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 46.12 19.74 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.202 -2.272 . . . . 0.0 110.785 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.57 21.73 60.74 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.56 2.981 . . . . 0.0 117.583 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -115.13 142.75 46.23 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -85.8 130.34 34.58 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 103.798 -2.667 . . . . 0.0 103.798 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.62 138.08 37.31 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.151 -175.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.521 ' O ' HD13 ' A' ' 23' ' ' ILE . 1.4 mp0 -101.66 140.1 36.41 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 125.139 1.524 . . . . 0.0 109.969 -177.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.97 -42.5 27.82 Favored 'General case' 0 C--O 1.264 1.855 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.8 85.48 Favored Glycine 0 CA--C 1.49 -1.492 0 N-CA-C 116.139 1.215 . . . . 0.0 116.139 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.749 ' O ' HD12 ' A' ' 23' ' ' ILE . 42.8 mtt180 -85.37 165.36 17.3 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 119.786 -2.008 . . . . 0.0 108.078 176.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.8 t -104.57 164.84 11.46 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.67 -35.91 79.33 Favored 'General case' 0 C--O 1.202 -1.395 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.425 ' N ' HG23 ' A' ' 55' ' ' THR . 0.2 OUTLIER -64.28 -29.39 70.48 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 117.228 -1.789 . . . . 0.0 112.19 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -55.5 -39.59 70.64 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 122.412 1.101 . . . . 0.0 110.681 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -90.8 4.71 50.94 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.943 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 58.1 45.22 18.04 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 121.703 2.047 . . . . 0.0 111.173 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mt -88.76 116.55 30.6 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.233 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -103.54 169.75 8.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 126.041 2.088 . . . . 0.0 109.366 -176.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.98 142.94 28.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 123.277 1.513 . . . . 0.0 109.097 -176.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.671 ' O ' HD22 ' B' ' 8' ' ' LEU . 4.3 mt-10 67.04 19.17 10.55 Favored 'General case' 0 C--O 1.255 1.383 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -71.12 159.53 34.53 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.4 t -119.23 126.72 52.2 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 118.191 -0.909 . . . . 0.0 108.8 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.09 154.61 19.1 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.707 -2.568 . . . . 0.0 105.715 175.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -105.69 135.62 46.77 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 127.404 2.94 . . . . 0.0 105.887 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tp -106.83 115.75 30.73 Favored 'General case' 0 C--O 1.285 2.953 0 CA-C-O 117.599 -1.191 . . . . 0.0 111.446 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.7 t -108.06 139.92 28.41 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mp -96.14 138.84 33.18 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.256 0.551 . . . . 0.0 109.807 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 . . . . . 0 C--N 1.279 -2.487 0 CA-C-O 113.176 -3.297 . . . . 0.0 105.534 178.663 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mtp . . . . . 0 CA--C 1.548 0.904 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.04 138.46 31.58 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 127.137 2.773 . . . . 0.0 108.774 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.13 163.04 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 CA-C-O 115.833 -2.032 . . . . 0.0 105.828 173.278 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 1.255 ' HD2' ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -115.89 140.21 49.46 Favored 'General case' 0 N--CA 1.515 2.799 1 O-C-N 130.68 4.988 . . . . 0.0 108.65 179.696 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.49 ' N ' ' CD2' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -117.94 113.99 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-O 113.306 -3.235 . . . . 0.0 105.808 175.517 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.847 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.3 OUTLIER -95.08 127.58 41.25 Favored 'General case' 0 N--CA 1.501 2.103 1 O-C-N 129.27 4.106 . . . . 0.0 108.176 -178.073 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 27.9 p -99.5 170.81 8.35 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.281 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.671 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -73.37 -7.06 50.03 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 124.001 0.813 . . . . 0.0 112.858 -178.293 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.16 14.73 31.02 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 115.63 -2.428 . . . . 0.0 111.972 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.87 79.98 Favored Glycine 0 C--N 1.296 -1.683 0 O-C-N 120.16 -1.588 . . . . 0.0 116.123 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 137.95 34.63 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 174.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.1 p -120.01 132.02 55.33 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 126.425 2.328 . . . . 0.0 106.157 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.524 HD11 ' OE1' ' B' ' 34' ' ' GLU . 1.6 mp -109.56 141.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 127.723 3.139 . . . . 0.0 109.049 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.18 139.83 36.32 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 117.027 -1.869 . . . . 0.0 108.382 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -126.48 154.08 44.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 115.607 -2.14 . . . . 0.0 108.314 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -111.82 121.22 44.47 Favored 'General case' 0 N--CA 1.497 1.898 1 O-C-N 129.254 4.096 . . . . 0.0 103.527 174.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.05 170.61 15.87 Favored 'Isoleucine or valine' 0 C--O 1.252 1.23 0 O-C-N 127.867 3.23 . . . . 0.0 111.234 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -120.15 144.66 38.31 Favored Pre-proline 0 C--N 1.314 -0.954 0 CA-C-N 112.054 -2.339 . . . . 0.0 106.244 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -54.81 -24.83 40.06 Favored 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 122.758 2.305 . . . . 0.0 111.502 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.1 t -79.85 -8.27 59.19 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 121.164 -0.96 . . . . 0.0 110.904 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.98 148.54 47.55 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 117.307 -1.757 . . . . 0.0 109.762 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.676 ' O ' HG13 ' B' ' 26' ' ' VAL . 2.7 p -83.89 160.43 21.12 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 175.768 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.6 ' O ' HG22 ' B' ' 26' ' ' VAL . 22.2 mm -61.33 -36.86 75.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 126.929 2.643 . . . . 0.0 110.428 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.773 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.06 -42.94 77.42 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 120.393 -1.442 . . . . 0.0 111.008 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -44.58 90.76 Favored 'General case' 0 C--O 1.25 1.108 0 C-N-CA 124.322 1.049 . . . . 0.0 111.41 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.676 HG13 ' O ' ' B' ' 22' ' ' THR . 0.9 OUTLIER -58.54 -46.33 89.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.873 1.358 . . . . 0.0 108.971 178.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.407 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 9.9 mtmm -60.75 -37.98 83.64 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-O 118.778 -0.629 . . . . 0.0 110.786 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.88 86.39 Favored 'General case' 0 C--O 1.279 2.628 0 O-C-N 123.483 0.49 . . . . 0.0 111.448 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -63.98 -37.49 87.6 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 120.417 -1.427 . . . . 0.0 110.878 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -39.74 78.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.337 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -62.01 -48.74 78.97 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 125.448 2.547 . . . . 0.0 109.026 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.45 -41.78 66.46 Favored 'General case' 0 C--O 1.258 1.52 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.812 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 0.0 OUTLIER -93.47 -24.29 18.07 Favored 'General case' 0 C--O 1.281 2.727 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -175.793 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.524 ' OE1' HD11 ' B' ' 13' ' ' ILE . 0.7 OUTLIER -123.68 -6.33 8.03 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 122.996 2.635 . . . . 0.0 113.791 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.64 90.01 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.726 2.25 . . . . 0.0 118.726 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.476 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 1.6 mt -80.01 125.08 82.55 Favored Pre-proline 0 C--O 1.242 0.71 0 C-N-CA 118.619 -1.232 . . . . 0.0 111.052 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 84.4 Cg_exo -57.09 137.05 80.17 Favored 'Trans proline' 0 C--O 1.255 1.365 0 C-N-CA 122.937 2.425 . . . . 0.0 110.886 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -57.27 -32.16 92.9 Favored 'Trans proline' 0 C--O 1.261 1.644 0 O-C-N 123.086 1.045 . . . . 0.0 113.36 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -15.59 63.63 Favored 'General case' 0 C--O 1.264 1.827 0 O-C-N 119.997 -1.689 . . . . 0.0 112.281 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.805 ' HB3' HD11 ' B' ' 71' ' ' LEU . 31.6 mm-40 -95.5 -10.59 29.3 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 120.462 -1.399 . . . . 0.0 112.187 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -84.95 129.67 34.76 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.29 1.995 . . . . 0.0 115.686 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 3.3 mmt180 -121.12 116.19 24.52 Favored 'General case' 0 C--O 1.298 3.654 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 172.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -103.6 130.24 51.0 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 119.481 1.037 . . . . 0.0 109.95 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.504 HD13 ' CG1' ' B' ' 70' ' ' VAL . 1.8 mp -122.02 131.74 72.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 125.162 1.539 . . . . 0.0 111.963 -177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.27 129.76 18.99 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 177.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.26 45.85 20.06 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 111.964 -2.38 . . . . 0.0 110.685 177.305 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 20.27 59.63 Favored Glycine 0 C--N 1.298 -1.553 0 C-N-CA 128.277 2.846 . . . . 0.0 117.316 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -109.88 143.83 39.23 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 115.317 -2.277 . . . . 0.0 110.986 174.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -87.19 130.3 34.6 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 103.996 -2.594 . . . . 0.0 103.996 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 61.5 mt -79.52 138.31 37.48 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 117.631 -1.176 . . . . 0.0 110.128 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.81 139.96 36.74 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 125.172 1.545 . . . . 0.0 109.976 -177.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.773 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER -48.24 -42.12 29.5 Favored 'General case' 0 C--O 1.263 1.778 0 N-CA-C 120.772 3.619 . . . . 0.0 120.772 -175.792 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.07 -8.68 85.28 Favored Glycine 0 N--CA 1.476 1.358 0 N-CA-C 115.927 1.131 . . . . 0.0 115.927 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -85.63 165.33 17.1 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 120.159 -1.789 . . . . 0.0 107.991 176.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.2 p -104.3 164.4 11.75 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.08 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.97 -36.37 79.22 Favored 'General case' 0 C--O 1.2 -1.506 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -29.73 70.91 Favored 'General case' 0 C--O 1.267 1.982 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.208 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.66 -39.03 70.36 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 122.533 1.159 . . . . 0.0 110.793 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -91.06 4.42 52.18 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 117.576 -1.202 . . . . 0.0 112.885 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.9 45.45 18.3 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 121.726 2.057 . . . . 0.0 111.284 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.83 116.14 29.93 Favored 'Isoleucine or valine' 0 C--O 1.269 2.109 0 CA-C-O 115.094 -2.384 . . . . 0.0 106.284 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.28 169.58 8.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 126.113 2.133 . . . . 0.0 109.752 -176.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.85 142.92 27.46 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 123.081 1.42 . . . . 0.0 109.273 -176.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 67.03 19.04 10.57 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.886 2.55 . . . . 0.0 117.886 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 96.3 p -71.09 159.54 34.53 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 174.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.643 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 0.6 OUTLIER -118.96 126.62 52.17 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 118.218 -0.896 . . . . 0.0 108.874 175.829 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 23.1 mt -103.11 154.54 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.674 -2.584 . . . . 0.0 105.751 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.283 -2.324 0 O-C-N 127.514 3.009 . . . . 0.0 105.707 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.05 115.85 30.91 Favored 'General case' 0 C--O 1.283 2.844 0 CA-C-O 117.671 -1.157 . . . . 0.0 111.417 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.513 ' HA ' HD21 ' B' ' 8' ' ' LEU . 1.1 m -108.17 139.9 28.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 103.375 -2.824 . . . . 0.0 103.375 175.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.04 -83.49 0.37 Allowed 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.098 0.475 . . . . 0.0 109.836 178.334 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? . . . . . 0 C--N 1.278 -2.537 0 CA-C-O 113.406 -3.188 . . . . 0.0 105.456 179.795 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mttp . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.643 0.735 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -88.99 137.85 31.94 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.56 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.471 HD22 ' CE1' ' C' ' 127' ' ' TYR . 7.6 mt -70.17 -39.64 75.19 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.682 0.753 . . . . 0.0 111.874 172.394 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -144.29 136.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.233 1.413 . . . . 0.0 107.464 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.38 148.15 34.31 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.524 165.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -161.08 155.15 22.66 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.261 0.976 . . . . 0.0 111.21 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -72.21 127.8 33.69 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.331 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.663 ' HB3' HG12 ' C' ' 47' ' ' VAL . . . -166.17 147.7 6.75 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.08 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.96 164.88 25.19 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 175.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -109.18 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' MET . . . . . 0.567 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.08 161.07 37.11 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 174.633 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 32' ' ' SER . . . . . 0.573 ' O ' HG22 ' C' ' 39' ' ' THR . 0.1 OUTLIER -136.7 156.58 48.33 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 118.085 -1.446 . . . . 0.0 108.72 177.347 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.534 HD22 HG12 ' C' ' 38' ' ' VAL . 0.0 OUTLIER -92.79 116.19 28.8 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.358 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 173.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 35' ' ' GLY . . . . . 0.44 ' O ' HD12 ' C' ' 33' ' ' LEU . . . 64.32 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.324 -1.911 . . . . 0.0 108.324 -169.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.56 18.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.352 -0.424 . . . . 0.0 109.98 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -112.02 122.53 48.02 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.534 HG12 HD22 ' C' ' 33' ' ' LEU . 27.5 m -76.16 120.04 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 174.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 39' ' ' THR . . . . . 0.573 HG22 ' O ' ' C' ' 32' ' ' SER . 0.8 OUTLIER -124.13 119.47 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -173.376 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.07 134.94 59.33 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 117.882 -0.945 . . . . 0.0 111.845 173.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.78 132.14 34.18 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.12 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -67.09 144.39 56.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -173.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -68.15 125.6 26.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.31 171.17 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.376 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mt -128.4 124.4 36.21 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 175.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' C' ' 28' ' ' ALA . 0.2 OUTLIER -90.96 137.56 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.147 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 164.551 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.406 ' CE2' ' SG ' ' C' ' 60' ' ' CYS . 6.0 p90 -151.91 157.83 42.35 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.993 0.901 . . . . 0.0 113.024 175.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 1.2 mt -118.85 131.06 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 113.559 -1.655 . . . . 0.0 108.309 174.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 50' ' ' GLN . . . . . 0.455 ' N ' ' ND1' ' C' ' 58' ' ' HIS . 0.3 OUTLIER -134.0 137.64 44.88 Favored 'General case' 0 CA--C 1.494 -1.193 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.422 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -100.23 122.05 42.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 170.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.03 171.14 13.21 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.259 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 p-10 -71.64 -10.42 59.74 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.661 -0.816 . . . . 0.0 113.156 -170.256 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.64 7.43 14.76 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.23 -0.188 . . . . 0.0 110.974 170.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t 73.78 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.493 1.517 . . . . 0.0 114.743 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 149.93 39.47 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 119.228 -0.989 . . . . 0.0 113.113 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 3.9 mm -102.21 129.06 54.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.145 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.993 ' O ' ' ND1' ' C' ' 58' ' ' HIS . 0.0 OUTLIER -117.6 125.39 50.7 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -176.501 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.87 118.98 36.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 171.216 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 60' ' ' CYS . . . . . 0.671 ' HB2' ' CD2' ' C' ' 58' ' ' HIS . 48.7 t -127.7 156.8 41.8 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -171.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 61' ' ' TRP . . . . . 0.411 ' HZ2' ' CZ ' ' C' ' 107' ' ' PHE . 5.0 m-90 -130.47 128.28 40.94 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.712 169.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -120.68 134.38 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.059 -1.428 . . . . 0.0 109.753 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.25 115.24 13.53 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 173.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.96 -32.38 73.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -176.245 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 65' ' ' THR . . . . . 0.473 HG23 ' N ' ' C' ' 66' ' ' SER . 5.7 t -72.53 -46.23 55.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 66' ' ' SER . . . . . 0.473 ' N ' HG23 ' C' ' 65' ' ' THR . 6.9 t -91.46 -20.46 21.73 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.516 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 2.72 60.53 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 69' ' ' VAL . . . . . 0.639 ' O ' HG23 ' C' ' 69' ' ' VAL . 32.1 m -84.19 109.11 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -94.37 -28.98 15.24 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.048 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -121.9 135.66 54.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.847 0.832 . . . . 0.0 109.433 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.06 103.29 2.38 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.08 123.24 45.14 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.242 -174.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 10.1 mm -75.8 124.26 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-O 122.396 1.093 . . . . 0.0 111.776 168.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.96 130.29 74.55 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.632 -174.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -101.23 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.519 1.137 . . . . 0.0 110.883 173.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -54.23 133.87 57.83 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.889 2.393 . . . . 0.0 111.387 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.41 6.95 5.96 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.66 2.096 . . . . 0.0 116.66 -175.67 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -70.44 -33.63 71.53 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.011 0.823 . . . . 0.0 109.558 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 168.19 27.75 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.441 -1.304 . . . . 0.0 113.601 -173.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -133.5 139.25 46.54 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.45 -1.705 . . . . 0.0 107.038 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.412 ' CE2' ' CB ' ' C' ' 94' ' ' TYR . 5.3 t80 -106.7 124.13 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -148.51 156.45 42.47 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -67.73 142.78 56.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.008 -0.997 . . . . 0.0 108.445 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 85' ' ' VAL . . . . . 0.845 ' O ' HG23 ' C' ' 85' ' ' VAL . 1.2 m -94.22 98.3 2.83 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 171.756 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.96 -31.96 91.97 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 N-CA-C 117.816 2.199 . . . . 0.0 117.816 -167.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -91.09 8.63 34.58 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.236 -164.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 88' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 30.0 p -85.1 119.7 72.75 Favored Pre-proline 0 CA--C 1.514 -0.413 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.0 -19.83 34.22 Favored 'Trans proline' 0 C--N 1.346 0.443 0 O-C-N 122.978 0.988 . . . . 0.0 114.441 -173.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.56 -34.65 78.74 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.368 0.531 . . . . 0.0 110.047 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.48 13.07 64.88 Favored Glycine 0 CA--C 1.506 -0.473 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.511 -172.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -121.01 17.11 11.7 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 93' ' ' VAL . . . . . 0.642 ' HB ' ' CG2' ' C' ' 85' ' ' VAL . 96.7 t -97.06 133.44 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 173.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 94' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' C' ' 109' ' ' MET . 2.4 m-85 -125.04 151.73 45.22 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.468 1.73 . . . . 0.0 110.418 178.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.99 135.37 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 96' ' ' LEU . . . . . 0.452 HD13 ' C ' ' C' ' 96' ' ' LEU . 3.1 tm? -95.44 108.07 20.26 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.13 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -109.21 125.2 51.98 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -171.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -84.75 115.72 22.86 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.155 0.909 . . . . 0.0 109.17 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -25.19 68.14 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.36 -169.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.21 115.19 28.95 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 173.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 101' ' ' GLY . . . . . 0.553 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.88 172.47 27.76 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -172.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.42 9.0 33.59 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.074 -0.662 . . . . 0.0 110.51 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -70.67 129.24 38.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.602 -165.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 141.74 46.19 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.936 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 20.9 mt -124.55 126.21 45.46 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 106' ' ' PHE . . . . . 0.44 ' N ' ' CD2' ' C' ' 106' ' ' PHE . 1.4 m-85 -100.88 143.65 30.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.319 -177.5 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 107' ' ' PHE . . . . . 0.411 ' CZ ' ' HZ2' ' C' ' 61' ' ' TRP . 1.4 m-85 -137.07 156.67 48.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.258 178.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.47 126.61 35.46 Favored 'General case' 0 N--CA 1.42 -1.937 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.466 174.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 109' ' ' MET . . . . . 0.481 ' HB2' ' CE1' ' C' ' 94' ' ' TYR . 0.1 OUTLIER -62.66 137.8 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.189 -174.631 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -118.87 3.97 11.53 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.268 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.28 135.92 93.85 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.129 1.442 . . . . 0.0 108.623 172.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.37 -41.29 42.44 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.58 -1.147 . . . . 0.0 112.366 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 147.0 24.19 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.498 173.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 75.4 p -83.54 -9.23 59.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.102 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -103.19 5.79 37.92 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 117' ' ' ASP . . . . . 0.402 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 15.8 p-10 -56.97 -48.71 77.73 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.27 -177.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.81 -32.32 70.71 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.522 -173.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.22 -44.06 80.47 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.926 0.393 . . . . 0.0 110.96 175.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -55.57 -45.87 77.26 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.998 -1.064 . . . . 0.0 112.325 173.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 8.6 m -60.6 -43.07 97.85 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.693 0.759 . . . . 0.0 110.297 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -61.9 -43.49 98.74 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.166 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -64.12 -42.47 96.83 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.28 -51.8 29.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.476 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.38 -39.55 87.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -65.27 -45.99 82.29 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.446 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 127' ' ' TYR . . . . . 0.471 ' CE1' HD22 ' C' ' 23' ' ' LEU . 27.5 m-85 -79.08 -24.37 43.54 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 119.4 -0.92 . . . . 0.0 112.351 -174.539 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' C' ' 129' ' ' ASN . 0.1 OUTLIER -79.17 -36.03 40.97 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.192 174.518 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 129' ' ' ASN . . . . . 0.536 ' HB2' HD23 ' C' ' 128' ' ' LEU . 3.2 t-20 -110.78 -11.1 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -168.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -141.21 71.78 27.27 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 169.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 131' ' ' PRO . . . . . 0.568 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 67.1 Cg_exo -51.69 -44.81 42.01 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.625 1.55 . . . . 0.0 111.545 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 132' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 71.6 Cg_exo . . . . . 0 C--N 1.29 -2.541 0 C-N-CA 122.425 2.083 . . . . 0.0 111.611 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.06 138.17 31.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 126.834 2.584 . . . . 0.0 108.902 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.829 HD11 HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -131.2 162.98 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.399 0 N-CA-C 105.601 -1.999 . . . . 0.0 105.601 173.461 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.93 140.3 49.38 Favored 'General case' 0 N--CA 1.512 2.663 1 O-C-N 130.585 4.928 . . . . 0.0 108.764 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.19 114.26 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 113.427 -3.177 . . . . 0.0 105.537 175.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -95.22 127.45 41.29 Favored 'General case' 0 N--CA 1.505 2.315 1 O-C-N 129.345 4.153 . . . . 0.0 107.962 -178.104 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.717 HG23 ' H ' ' A' ' 9' ' ' THR . 14.8 t -99.47 170.73 8.41 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.404 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -7.0 49.83 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.141 0.9 . . . . 0.0 112.694 -177.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.717 ' H ' HG23 ' A' ' 7' ' ' THR . 0.3 OUTLIER -101.51 15.06 30.09 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.638 -2.425 . . . . 0.0 111.996 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.89 80.12 Favored Glycine 0 C--N 1.297 -1.615 0 O-C-N 120.053 -1.655 . . . . 0.0 116.022 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.544 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.47 138.17 34.46 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 174.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.0 p -120.03 131.69 55.21 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.653 2.471 . . . . 0.0 105.849 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.53 141.94 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 127.621 3.075 . . . . 0.0 108.927 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.44 139.75 36.68 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 117.147 -1.821 . . . . 0.0 108.091 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.42 HD11 HD11 ' A' ' 30' ' ' ILE . 7.3 mt -126.45 154.06 44.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 115.363 -2.256 . . . . 0.0 108.34 -179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -111.82 121.04 43.98 Favored 'General case' 0 N--CA 1.499 2.017 1 O-C-N 129.245 4.091 . . . . 0.0 103.611 173.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.829 HG12 HD11 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -138.97 170.55 16.03 Favored 'Isoleucine or valine' 0 C--O 1.256 1.406 0 O-C-N 127.55 3.031 . . . . 0.0 111.222 -177.899 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 17' ' ' VAL . 2.9 pm0 -119.89 144.51 37.53 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.43 -2.168 . . . . 0.0 106.364 174.634 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -55.1 -24.3 39.98 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.466 2.111 . . . . 0.0 111.875 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -80.01 -8.15 59.2 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.912 -177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.612 ' OD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -71.01 148.5 47.56 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 117.358 -1.737 . . . . 0.0 109.831 -179.073 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.79 160.52 21.2 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.822 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.686 HD13 ' O ' ' A' ' 51' ' ' GLU . 1.5 mp -61.46 -37.06 76.89 Favored 'Isoleucine or valine' 0 C--O 1.247 0.93 0 O-C-N 127.17 2.794 . . . . 0.0 110.245 175.818 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.52 -40.25 78.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.221 -0.924 . . . . 0.0 110.765 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.35 -41.87 80.07 Favored 'General case' 0 C--O 1.263 1.792 0 O-C-N 121.945 -0.472 . . . . 0.0 110.984 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.612 HG23 ' OD2' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -58.23 -46.43 88.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 124.409 1.068 . . . . 0.0 109.112 178.165 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -60.88 -37.86 83.64 Favored 'General case' 0 C--O 1.26 1.619 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.687 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.0 86.82 Favored 'General case' 0 C--O 1.277 2.538 0 CA-C-N 118.184 0.447 . . . . 0.0 111.129 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -37.54 87.83 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 120.441 -1.412 . . . . 0.0 110.668 176.066 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.42 HD11 HD11 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -69.93 -39.58 77.71 Favored 'Isoleucine or valine' 0 C--O 1.251 1.157 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.17 -48.69 78.95 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 125.5 2.571 . . . . 0.0 109.176 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -53.22 -41.83 65.76 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.902 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 0.8 OUTLIER -93.58 -24.23 18.02 Favored 'General case' 0 C--O 1.28 2.688 0 N-CA-C 117.182 2.289 . . . . 0.0 117.182 -175.821 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -123.43 -6.38 8.17 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 123.094 2.679 . . . . 0.0 114.212 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.63 90.01 Favored Glycine 0 CA--C 1.479 -2.17 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.0 mt -79.84 124.71 83.19 Favored Pre-proline 0 C--O 1.243 0.746 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.932 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 84.1 Cg_exo -56.95 136.89 79.29 Favored 'Trans proline' 0 C--O 1.258 1.516 0 C-N-CA 123.239 2.626 . . . . 0.0 110.768 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -57.08 -32.0 91.94 Favored 'Trans proline' 0 C--O 1.262 1.676 0 O-C-N 122.97 0.984 . . . . 0.0 113.676 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -15.4 63.54 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.951 -1.718 . . . . 0.0 112.206 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.96 -10.29 29.03 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.63 -1.294 . . . . 0.0 112.054 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -84.8 129.58 34.8 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.339 2.019 . . . . 0.0 115.792 -177.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -121.07 116.16 24.5 Favored 'General case' 0 C--O 1.299 3.69 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 171.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.59 130.11 50.96 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 119.631 1.105 . . . . 0.0 109.953 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -122.02 131.88 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 O-C-N 125.088 1.493 . . . . 0.0 111.926 -177.57 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -144.38 129.49 18.62 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.14 19.67 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.195 -2.275 . . . . 0.0 110.766 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.6 21.74 60.82 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 128.672 3.034 . . . . 0.0 117.542 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.03 142.9 46.01 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.91 130.21 34.61 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 103.729 -2.693 . . . . 0.0 103.729 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mp -79.42 138.08 37.49 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 117.656 -1.164 . . . . 0.0 110.229 -176.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.686 ' O ' HD13 ' A' ' 23' ' ' ILE . 24.0 mp0 -101.82 140.04 36.64 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 125.123 1.514 . . . . 0.0 109.949 -177.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -47.96 -42.5 27.76 Favored 'General case' 0 C--O 1.264 1.825 0 N-CA-C 120.76 3.615 . . . . 0.0 120.76 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.86 85.47 Favored Glycine 0 CA--C 1.489 -1.58 0 N-CA-C 116.251 1.26 . . . . 0.0 116.251 -177.321 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.679 ' O ' HD12 ' A' ' 23' ' ' ILE . 15.0 mtt180 -85.44 165.35 17.25 Favored 'General case' 0 C--O 1.251 1.17 0 O-C-N 119.709 -2.053 . . . . 0.0 108.04 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.6 p -104.43 164.75 11.52 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.49 -36.1 79.51 Favored 'General case' 0 C--O 1.202 -1.428 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -29.46 70.58 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.335 -1.746 . . . . 0.0 112.193 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -39.55 70.88 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.322 1.058 . . . . 0.0 110.617 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -90.73 4.56 51.21 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 117.723 -1.132 . . . . 0.0 113.029 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 58.25 45.17 17.63 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.633 2.015 . . . . 0.0 111.121 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.78 116.46 30.44 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.123 -2.37 . . . . 0.0 106.216 175.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -103.48 169.71 8.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 126.075 2.11 . . . . 0.0 109.406 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -54.88 142.96 27.47 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.293 1.52 . . . . 0.0 109.079 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.647 ' O ' HD22 ' B' ' 8' ' ' LEU . 0.7 OUTLIER 66.85 19.31 10.67 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 118.006 2.595 . . . . 0.0 118.006 179.406 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -71.2 159.47 34.58 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 174.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.496 ' HB ' HD23 ' B' ' 8' ' ' LEU . 0.6 OUTLIER -119.14 126.81 52.49 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 118.182 -0.913 . . . . 0.0 108.847 175.742 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.4 mt -103.12 154.56 19.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.821 -2.514 . . . . 0.0 105.641 175.195 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.456 ' O ' HG23 ' A' ' 44' ' ' ILE . 14.5 t60 -105.71 135.57 46.9 Favored 'General case' 0 C--N 1.287 -2.126 0 O-C-N 127.325 2.891 . . . . 0.0 105.894 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.3 mt -106.8 115.88 30.97 Favored 'General case' 0 C--O 1.285 2.941 0 CA-C-O 117.682 -1.152 . . . . 0.0 111.451 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.09 140.01 28.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 175.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.8 mt -96.18 138.86 33.18 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.204 0.526 . . . . 0.0 109.838 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.277 -2.547 0 CA-C-O 113.208 -3.282 . . . . 0.0 105.592 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -90.91 138.46 31.58 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 127.197 2.811 . . . . 0.0 108.767 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 pt -131.17 163.13 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-O 115.817 -2.04 . . . . 0.0 105.895 173.141 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.98 140.13 49.57 Favored 'General case' 0 N--CA 1.514 2.761 1 O-C-N 130.604 4.94 . . . . 0.0 108.602 179.794 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -117.88 114.0 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 113.345 -3.217 . . . . 0.0 105.869 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -95.11 127.59 41.28 Favored 'General case' 0 N--CA 1.503 2.18 1 O-C-N 129.177 4.048 . . . . 0.0 108.108 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 53.0 p -99.57 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.791 -1.1 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -73.37 -6.99 49.71 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 124.106 0.879 . . . . 0.0 112.798 -178.256 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.0 t -101.22 14.81 30.8 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 115.665 -2.414 . . . . 0.0 111.973 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.59 80.15 Favored Glycine 0 C--N 1.296 -1.65 0 O-C-N 120.277 -1.514 . . . . 0.0 116.093 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -96.27 137.93 34.62 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 p -119.88 131.89 55.38 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 126.355 2.285 . . . . 0.0 106.21 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.51 141.8 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 127.815 3.197 . . . . 0.0 109.109 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.19 139.91 36.22 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 116.982 -1.887 . . . . 0.0 108.405 177.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.58 154.11 44.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 115.524 -2.179 . . . . 0.0 108.305 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -111.91 121.13 44.17 Favored 'General case' 0 N--CA 1.496 1.846 1 O-C-N 129.232 4.082 . . . . 0.0 103.508 174.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 m -139.01 170.64 15.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 O-C-N 127.835 3.209 . . . . 0.0 111.246 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.1 144.63 38.15 Favored Pre-proline 0 C--N 1.312 -1.036 0 CA-C-N 112.019 -2.355 . . . . 0.0 106.273 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -54.91 -24.67 40.11 Favored 'Trans proline' 0 C--N 1.318 -1.053 0 C-N-CA 122.596 2.197 . . . . 0.0 111.591 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 33.7 t -79.89 -8.21 59.18 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 121.142 -0.973 . . . . 0.0 110.964 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -71.0 148.53 47.54 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 117.287 -1.765 . . . . 0.0 109.768 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -83.93 160.52 21.07 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.762 HD12 ' O ' ' B' ' 54' ' ' ARG . 1.7 mp -61.42 -36.8 75.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 126.957 2.661 . . . . 0.0 110.409 175.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.629 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 88.6 tt0 -56.14 -42.94 77.72 Favored 'General case' 0 C--O 1.253 1.288 0 O-C-N 120.389 -1.444 . . . . 0.0 110.937 176.313 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -64.39 -44.55 90.96 Favored 'General case' 0 C--O 1.251 1.137 0 C-N-CA 124.301 1.041 . . . . 0.0 111.394 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.67 -46.18 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 114.294 -1.321 . . . . 0.0 108.971 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 1.227 ' CG ' ' HB3' ' B' ' 38' ' ' PRO . 0.0 OUTLIER -60.75 -38.05 83.89 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.849 -179.688 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.735 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . . . -66.27 -37.97 86.73 Favored 'General case' 0 C--O 1.278 2.584 0 O-C-N 123.381 0.425 . . . . 0.0 111.336 176.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -63.93 -37.53 87.75 Favored 'General case' 0 C--O 1.253 1.28 0 O-C-N 120.431 -1.418 . . . . 0.0 110.821 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.485 HD13 ' OE1' ' B' ' 41' ' ' GLN . 4.5 mt -69.67 -39.78 78.57 Favored 'Isoleucine or valine' 0 C--O 1.254 1.333 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.94 -48.81 78.72 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.634 2.635 . . . . 0.0 109.081 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.43 -41.83 66.48 Favored 'General case' 0 C--O 1.257 1.477 0 CA-C-N 113.605 -1.634 . . . . 0.0 111.797 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.322 0.0 OUTLIER -93.41 -24.17 18.16 Favored 'General case' 0 C--O 1.282 2.763 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -175.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.77 -6.35 7.98 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 122.965 2.621 . . . . 0.0 113.803 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.58 90.05 Favored Glycine 0 CA--C 1.475 -2.407 0 N-CA-C 118.791 2.277 . . . . 0.0 118.791 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.475 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 1.1 mt -79.81 125.06 82.98 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 118.727 -1.189 . . . . 0.0 111.085 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 26.3 Cg_endo -57.21 136.97 79.6 Favored 'Trans proline' 0 C--O 1.256 1.417 0 C-N-CA 122.964 2.443 . . . . 0.0 110.901 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 1.227 ' HB3' ' CG ' ' B' ' 27' ' ' LYS . 26.8 Cg_endo -57.12 -32.23 92.73 Favored 'Trans proline' 0 C--O 1.262 1.684 0 O-C-N 123.022 1.011 . . . . 0.0 113.424 -179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.24 -15.6 63.64 Favored 'General case' 0 C--O 1.264 1.831 0 O-C-N 119.989 -1.694 . . . . 0.0 112.179 -177.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.666 ' HB3' HD11 ' B' ' 71' ' ' LEU . 1.5 mp0 -95.58 -10.66 28.95 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.502 -1.374 . . . . 0.0 112.136 178.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.485 ' OE1' HD13 ' B' ' 30' ' ' ILE . 36.5 tt0 -84.8 129.61 34.79 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 124.249 1.976 . . . . 0.0 115.778 -177.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -121.15 116.12 24.36 Favored 'General case' 0 C--O 1.299 3.679 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 172.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 mt -103.61 130.31 51.02 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 119.501 1.046 . . . . 0.0 109.964 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.607 ' O ' HG13 ' B' ' 44' ' ' ILE . 0.4 OUTLIER -122.03 131.66 72.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 125.234 1.584 . . . . 0.0 112.06 -177.598 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.532 ' N ' HD12 ' B' ' 44' ' ' ILE . 60.8 t80 -144.23 129.88 19.13 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.02 19.37 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 112.002 -2.363 . . . . 0.0 110.676 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.22 59.65 Favored Glycine 0 C--N 1.299 -1.508 0 C-N-CA 128.342 2.877 . . . . 0.0 117.298 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -109.89 143.79 39.3 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 115.285 -2.293 . . . . 0.0 110.903 174.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -87.07 130.31 34.55 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 173.295 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.6 138.46 37.44 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 117.635 -1.174 . . . . 0.0 110.028 -175.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.552 ' O ' HD13 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -101.94 140.0 36.81 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.283 1.615 . . . . 0.0 109.947 -177.664 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -48.31 -41.95 29.66 Favored 'General case' 0 C--O 1.261 1.695 0 N-CA-C 120.81 3.633 . . . . 0.0 120.81 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.21 -8.59 85.17 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 115.98 1.152 . . . . 0.0 115.98 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.762 ' O ' HD12 ' B' ' 23' ' ' ILE . 25.6 mmt-85 -85.64 165.31 17.11 Favored 'General case' 0 C--O 1.251 1.159 0 O-C-N 120.04 -1.859 . . . . 0.0 107.975 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 65.7 p -104.32 164.5 11.69 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 177.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.1 -36.39 79.55 Favored 'General case' 0 C--O 1.201 -1.483 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -29.78 70.97 Favored 'General case' 0 C--O 1.267 2.007 0 C-N-CA 117.254 -1.778 . . . . 0.0 112.21 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -39.01 70.36 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.572 1.177 . . . . 0.0 110.795 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -91.13 4.51 52.01 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 117.61 -1.186 . . . . 0.0 112.888 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 57.83 45.45 18.53 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 121.664 2.029 . . . . 0.0 111.327 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.66 116.21 29.95 Favored 'Isoleucine or valine' 0 C--O 1.272 2.248 0 CA-C-O 114.939 -2.458 . . . . 0.0 106.367 175.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -103.3 169.52 8.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 126.173 2.171 . . . . 0.0 109.7 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.97 142.99 27.81 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 123.15 1.453 . . . . 0.0 109.264 -176.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.02 19.08 10.59 Favored 'General case' 0 C--O 1.255 1.345 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.11 159.57 34.45 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 174.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -119.08 126.59 52.02 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 118.308 -0.853 . . . . 0.0 108.752 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -103.17 154.59 19.15 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 114.67 -2.586 . . . . 0.0 105.731 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -105.61 135.86 46.24 Favored 'General case' 0 C--N 1.284 -2.245 0 O-C-N 127.59 3.056 . . . . 0.0 105.636 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -107.19 115.84 30.87 Favored 'General case' 0 C--O 1.283 2.849 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.452 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.2 t -108.14 139.96 28.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -96.2 -83.38 0.37 Allowed 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.087 0.47 . . . . 0.0 109.827 178.477 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 . . . . . 0 C--N 1.277 -2.547 0 CA-C-O 113.356 -3.212 . . . . 0.0 105.378 179.276 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 27.2 mttt . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.631 0.729 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.607 -178.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' C' ' 23' ' ' LEU . 4.2 mm? -70.14 -39.64 75.28 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.704 0.764 . . . . 0.0 111.89 172.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.34 136.07 21.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 125.283 1.433 . . . . 0.0 107.484 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.36 148.07 34.25 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.539 165.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.04 155.16 22.76 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.348 1.03 . . . . 0.0 111.149 173.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.2 127.9 34.01 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.178 -1.374 . . . . 0.0 112.335 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.25 147.69 6.65 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.093 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.84 25.13 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.18 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 4.1 mtt -137.13 161.01 37.31 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -136.61 156.54 48.41 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.105 -1.438 . . . . 0.0 108.826 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -92.74 116.14 28.75 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.37 115.87 29.43 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 172.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.23 -116.04 8.62 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.5 m -113.98 14.46 18.43 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.949 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' THR . . . . . 0.412 ' O ' HG23 ' C' ' 39' ' ' THR . 12.1 p -111.94 122.52 48.0 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.47 ' O ' HG13 ' C' ' 38' ' ' VAL . 7.5 p -76.05 119.96 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 174.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 39' ' ' THR . . . . . 0.412 HG23 ' O ' ' C' ' 37' ' ' THR . 1.2 p -124.14 119.33 26.48 Favored Pre-proline 0 C--O 1.245 0.856 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -173.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.93 134.89 59.51 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 117.9 -0.934 . . . . 0.0 111.872 173.415 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -85.74 132.19 34.18 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -11.19 59.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -172.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -67.03 144.42 56.17 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -68.18 125.6 26.9 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 171.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.26 21.57 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.249 1.472 . . . . 0.0 115.316 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -128.41 124.36 36.1 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 175.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -90.97 137.63 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 164.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -151.94 157.82 42.3 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.991 0.9 . . . . 0.0 113.055 175.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 55.1 mt -118.84 131.05 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 113.593 -1.64 . . . . 0.0 108.378 174.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -134.07 137.63 44.78 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -100.17 122.12 42.5 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 170.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 12.0 p -84.08 171.1 13.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.267 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -10.44 59.78 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.67 7.48 14.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.231 -0.187 . . . . 0.0 111.028 170.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t 73.87 -1.38 3.08 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.386 1.474 . . . . 0.0 114.766 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.87 149.87 39.39 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 122.231 1.015 . . . . 0.0 113.015 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mm -102.16 129.14 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.138 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 79.7 m-70 -117.64 125.21 50.33 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -176.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -98.7 119.01 36.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 171.202 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 60' ' ' CYS . . . . . 0.544 ' C ' ' CD1' ' C' ' 61' ' ' TRP . 62.3 m -127.78 156.82 41.87 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 61' ' ' TRP . . . . . 0.803 ' HZ2' HD13 ' C' ' 105' ' ' LEU . 0.4 OUTLIER -130.44 128.22 40.85 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.711 169.358 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -120.61 134.33 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.046 -1.434 . . . . 0.0 109.775 -176.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -74.34 115.34 13.75 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -64.06 -32.34 73.86 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -46.26 55.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -175.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -91.37 -20.47 21.8 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.555 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.53 2.67 60.58 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.743 -0.476 . . . . 0.0 113.748 -171.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -72.47 130.01 39.68 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.711 1.256 . . . . 0.0 113.172 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 t -84.15 109.05 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 173.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -94.42 -28.92 15.24 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.96 -171.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 71' ' ' ASP . . . . . 0.512 ' CB ' ' CE3' ' C' ' 61' ' ' TRP . 8.5 t70 -121.92 135.58 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.865 0.84 . . . . 0.0 109.441 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -154.98 103.26 2.39 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 104.492 -2.41 . . . . 0.0 104.492 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.0 123.29 45.35 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.257 -174.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 pt -75.83 124.23 33.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.355 1.074 . . . . 0.0 111.75 168.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 1.3 mt -123.03 130.31 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.358 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.633 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.21 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.45 1.093 . . . . 0.0 110.902 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -54.24 133.85 57.78 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.889 2.393 . . . . 0.0 111.346 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.56 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.613 2.079 . . . . 0.0 116.613 -175.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.42 -33.6 71.53 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.038 0.835 . . . . 0.0 109.602 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 23.6 p -154.9 168.12 28.01 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.427 -1.309 . . . . 0.0 113.601 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 81' ' ' GLU . . . . . 0.417 ' HB2' ' HZ2' ' C' ' 97' ' ' LYS . 15.6 mm-40 -133.38 139.37 46.75 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.434 -1.712 . . . . 0.0 107.037 -178.22 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.423 ' CE2' ' HD1' ' C' ' 107' ' ' PHE . 6.0 t80 -106.75 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.54 156.54 42.57 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -67.78 142.86 56.09 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.379 177.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 64.6 t -94.33 98.3 2.87 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -60.94 -31.94 91.98 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 N-CA-C 117.807 2.195 . . . . 0.0 117.807 -167.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.15 8.6 34.84 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 117.956 -1.498 . . . . 0.0 112.19 -164.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 88' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 25.1 p -85.06 119.66 72.75 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.475 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.97 -19.86 34.2 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.97 0.984 . . . . 0.0 114.39 -173.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -65.53 -34.67 78.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.457 0.571 . . . . 0.0 110.035 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.52 13.0 64.86 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.535 -172.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -121.02 17.13 11.69 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 93.2 t -97.08 133.48 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -125.05 151.79 45.16 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.446 1.716 . . . . 0.0 110.458 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.04 135.25 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 9.1 tt -95.35 108.14 20.3 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 169.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 97' ' ' LYS . . . . . 0.417 ' HZ2' ' HB2' ' C' ' 81' ' ' GLU . 2.4 mtmp? -109.28 125.2 52.04 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -171.139 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -84.84 115.66 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.127 0.892 . . . . 0.0 109.17 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 99' ' ' LYS . . . . . 0.402 ' CB ' ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -63.47 -25.12 68.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.398 -169.597 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.23 115.17 28.89 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 173.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 32.2 t -91.39 9.09 33.13 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.007 -0.702 . . . . 0.0 110.575 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.71 129.25 38.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 117.942 -1.503 . . . . 0.0 110.501 -165.022 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 141.75 46.13 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.965 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 105' ' ' LEU . . . . . 0.803 HD13 ' HZ2' ' C' ' 61' ' ' TRP . 0.8 OUTLIER -124.56 126.11 45.28 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 105.898 -1.889 . . . . 0.0 105.898 171.922 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 106' ' ' PHE . . . . . 0.46 ' O ' ' CD2' ' C' ' 107' ' ' PHE . 1.7 m-85 -100.84 143.66 30.73 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.748 1.28 . . . . 0.0 110.316 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 107' ' ' PHE . . . . . 0.476 ' CE2' ' CZ2' ' C' ' 61' ' ' TRP . 4.0 m-85 -137.08 156.72 48.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.307 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.5 126.57 35.29 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.408 175.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 27.3 mmt -62.68 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.258 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -118.9 4.03 11.5 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.243 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.27 135.87 93.81 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.147 1.451 . . . . 0.0 108.664 172.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.29 -41.35 42.64 Favored 'Trans proline' 0 C--O 1.245 0.842 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.422 -174.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 146.94 24.25 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.498 173.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.7 p -83.43 -9.26 59.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.211 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -33.82 56.06 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 123.504 0.722 . . . . 0.0 112.792 -169.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.25 5.88 37.82 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -56.86 -48.8 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.332 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -32.15 70.33 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.522 -173.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -44.07 80.05 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 120.917 0.389 . . . . 0.0 110.875 175.478 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -55.6 -45.85 77.38 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.98 -1.075 . . . . 0.0 112.35 173.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.53 -43.18 97.42 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.684 0.754 . . . . 0.0 110.348 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -61.8 -43.53 98.66 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.127 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -64.16 -42.33 96.77 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 3.4 t -52.33 -51.91 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.38 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 125' ' ' ASN . . . . . 0.508 ' HA ' HD23 ' C' ' 128' ' ' LEU . 2.6 t30 -60.3 -39.57 87.41 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.32 -46.0 82.07 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.445 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -79.0 -24.4 43.75 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 119.437 -0.905 . . . . 0.0 112.47 -174.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.12 -36.13 41.1 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.19 174.527 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 129' ' ' ASN . . . . . 0.458 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.73 -11.1 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -168.547 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -141.2 71.84 27.27 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 169.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.66 167.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.698 1.599 . . . . 0.0 111.672 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo . . . . . 0 C--N 1.289 -2.583 0 C-N-CA 122.545 2.163 . . . . 0.0 111.592 179.829 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 mmt . . . . . 0 CA--C 1.549 0.932 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -91.16 138.21 31.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 126.834 2.584 . . . . 0.0 108.864 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.786 HD11 HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -131.18 162.95 38.31 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 173.453 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.511 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -115.94 140.2 49.48 Favored 'General case' 0 N--CA 1.514 2.746 1 O-C-N 130.614 4.946 . . . . 0.0 108.749 179.639 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 CA-C-O 113.471 -3.157 . . . . 0.0 105.588 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 127.48 41.21 Favored 'General case' 0 N--CA 1.507 2.376 1 O-C-N 129.38 4.175 . . . . 0.0 107.951 -178.147 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 56.7 p -99.55 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.389 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -6.86 48.98 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 124.123 0.889 . . . . 0.0 112.664 -177.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -101.66 15.16 29.81 Favored 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 115.718 -2.393 . . . . 0.0 111.953 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.25 16.79 80.2 Favored Glycine 0 C--N 1.297 -1.613 0 O-C-N 120.28 -1.512 . . . . 0.0 116.1 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -96.52 138.08 34.64 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p -120.04 131.59 55.17 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 126.623 2.452 . . . . 0.0 105.926 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.41 141.92 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 127.639 3.087 . . . . 0.0 108.932 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.47 139.71 36.76 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 117.09 -1.844 . . . . 0.0 108.148 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.42 153.97 44.28 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.325 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -111.73 121.1 44.18 Favored 'General case' 0 N--CA 1.5 2.028 1 O-C-N 129.255 4.097 . . . . 0.0 103.665 173.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.97 170.57 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.34 0 O-C-N 127.625 3.078 . . . . 0.0 111.201 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -119.99 144.5 37.68 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 112.298 -2.228 . . . . 0.0 106.363 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -55.03 -24.33 39.46 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.515 2.143 . . . . 0.0 111.913 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -79.97 -8.22 59.22 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.944 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.91 148.41 47.77 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 117.436 -1.706 . . . . 0.0 109.867 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -83.8 160.47 21.2 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 175.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.7 mp -61.41 -37.12 76.97 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 O-C-N 127.105 2.753 . . . . 0.0 110.239 175.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.56 -40.15 78.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.346 -0.846 . . . . 0.0 110.838 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.27 -41.93 80.34 Favored 'General case' 0 C--O 1.262 1.725 0 O-C-N 121.923 -0.485 . . . . 0.0 110.956 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG21 HD11 ' A' ' 56' ' ' LEU . 12.3 t -58.29 -46.29 89.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -60.87 -37.94 83.87 Favored 'General case' 0 C--O 1.258 1.536 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.741 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.17 87.62 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-N 118.101 0.409 . . . . 0.0 111.15 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -37.42 87.4 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 123.027 1.394 . . . . 0.0 110.751 176.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.455 HG22 ' CG2' ' A' ' 36' ' ' ILE . 71.5 mt -69.98 -39.57 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -48.82 78.4 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 125.568 2.604 . . . . 0.0 109.102 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -41.76 65.62 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.944 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 0.0 OUTLIER -93.61 -24.21 18.0 Favored 'General case' 0 C--O 1.28 2.704 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -175.841 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -123.42 -6.45 8.17 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 123.154 2.706 . . . . 0.0 114.22 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.65 90.0 Favored Glycine 0 CA--C 1.478 -2.237 0 N-CA-C 118.889 2.315 . . . . 0.0 118.889 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.455 ' CG2' HG22 ' A' ' 30' ' ' ILE . 2.5 tp -79.75 124.87 83.27 Favored Pre-proline 0 C--O 1.244 0.799 0 C-N-CA 118.812 -1.155 . . . . 0.0 110.939 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 79.9 Cg_exo -57.02 136.81 78.94 Favored 'Trans proline' 0 C--O 1.256 1.403 0 C-N-CA 123.365 2.71 . . . . 0.0 110.769 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.6 Cg_exo -57.14 -31.96 92.0 Favored 'Trans proline' 0 C--O 1.262 1.71 0 O-C-N 123.014 1.008 . . . . 0.0 113.637 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.47 -15.41 63.54 Favored 'General case' 0 C--O 1.261 1.69 0 O-C-N 119.847 -1.783 . . . . 0.0 112.217 -177.424 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.86 -10.34 29.15 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 120.689 -1.257 . . . . 0.0 112.064 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -84.95 129.61 34.77 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 124.393 2.044 . . . . 0.0 115.738 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HB2' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -120.99 116.06 24.36 Favored 'General case' 0 C--O 1.3 3.752 0 N-CA-C 104.957 -2.238 . . . . 0.0 104.957 172.016 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm? -103.54 130.2 50.9 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 119.546 1.066 . . . . 0.0 109.933 -177.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.467 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -122.0 131.94 72.04 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 O-C-N 125.247 1.592 . . . . 0.0 111.922 -177.61 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -144.44 129.61 18.66 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.07 19.68 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.196 -2.275 . . . . 0.0 110.725 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.67 21.75 60.99 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 128.625 3.012 . . . . 0.0 117.472 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -115.13 142.8 46.16 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 130.26 34.6 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 174.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.45 138.1 37.47 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.193 -175.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.498 ' O ' HD13 ' A' ' 23' ' ' ILE . 1.4 tt0 -101.77 140.15 36.45 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 125.038 1.461 . . . . 0.0 109.927 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.97 -42.51 27.85 Favored 'General case' 0 C--O 1.264 1.845 0 N-CA-C 120.85 3.648 . . . . 0.0 120.85 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.95 85.37 Favored Glycine 0 CA--C 1.489 -1.539 0 N-CA-C 116.264 1.266 . . . . 0.0 116.264 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.737 ' O ' HD12 ' A' ' 23' ' ' ILE . 62.3 mtt180 -85.28 165.32 17.42 Favored 'General case' 0 C--O 1.251 1.184 0 O-C-N 119.709 -2.054 . . . . 0.0 108.12 176.419 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 1.1 p -104.52 164.79 11.5 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD11 HG21 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -61.54 -36.07 79.55 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.277 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 p -64.23 -29.43 70.54 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.307 -1.757 . . . . 0.0 112.226 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -55.49 -39.53 70.54 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.513 1.149 . . . . 0.0 110.743 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -90.88 4.75 51.0 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 117.67 -1.157 . . . . 0.0 112.974 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 58.0 45.2 18.37 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.626 2.012 . . . . 0.0 111.271 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.786 HG22 HD11 ' A' ' 3' ' ' ILE . 7.8 mt -88.69 116.48 30.43 Favored 'Isoleucine or valine' 0 C--O 1.267 1.989 0 CA-C-O 115.133 -2.365 . . . . 0.0 106.189 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.51 169.68 8.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 126.127 2.142 . . . . 0.0 109.322 -176.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 143.0 27.35 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 123.224 1.488 . . . . 0.0 109.115 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 67.02 19.17 10.57 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 117.899 2.555 . . . . 0.0 117.899 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 174.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.9 p -119.14 126.73 52.3 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 118.199 -0.905 . . . . 0.0 108.788 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mp -103.1 154.49 19.23 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.815 -2.517 . . . . 0.0 105.639 175.166 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -105.61 135.71 46.52 Favored 'General case' 0 C--N 1.287 -2.113 0 O-C-N 127.283 2.864 . . . . 0.0 105.888 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 tt -106.93 115.85 30.89 Favored 'General case' 0 C--O 1.285 2.965 0 CA-C-O 117.584 -1.198 . . . . 0.0 111.434 176.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' A' ' 42' ' ' ARG . 7.7 p -108.11 139.88 28.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.059 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.09 138.82 33.17 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.305 0.574 . . . . 0.0 109.816 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 . . . . . 0 C--N 1.28 -2.452 0 CA-C-O 113.234 -3.27 . . . . 0.0 105.66 178.601 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.941 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -90.84 138.41 31.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 127.207 2.817 . . . . 0.0 108.887 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.12 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 CA-C-O 115.83 -2.033 . . . . 0.0 105.891 173.242 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 1.187 ' CZ ' ' HB2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -115.99 140.13 49.57 Favored 'General case' 0 N--CA 1.514 2.727 1 O-C-N 130.526 4.891 . . . . 0.0 108.591 179.785 . . . . . . . . 4 4 . 1 . 012 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.402 ' O ' HG22 ' B' ' 5' ' ' VAL . 0.1 OUTLIER -117.91 114.09 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-O 113.502 -3.142 . . . . 0.0 105.777 175.498 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 1.187 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 10.9 tttt -95.13 127.67 41.36 Favored 'General case' 0 N--CA 1.502 2.174 1 O-C-N 129.14 4.025 . . . . 0.0 108.163 -178.138 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 29.2 p -99.62 170.85 8.3 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.772 -1.109 . . . . 0.0 109.26 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.64 HD22 ' O ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.39 -7.07 50.14 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 124.069 0.855 . . . . 0.0 112.829 -178.283 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.56 ' N ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -101.14 14.82 30.73 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 115.68 -2.408 . . . . 0.0 112.063 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.74 80.04 Favored Glycine 0 C--N 1.296 -1.678 0 O-C-N 120.118 -1.614 . . . . 0.0 116.047 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 137.86 34.74 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 174.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' THR . . . . . 0.622 ' HB ' ' CE1' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -119.88 131.86 55.38 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 126.509 2.381 . . . . 0.0 106.266 176.122 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -109.42 141.76 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 127.726 3.141 . . . . 0.0 109.156 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.0 t -101.22 140.0 36.12 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 116.931 -1.908 . . . . 0.0 108.31 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -126.58 154.04 44.45 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 115.476 -2.202 . . . . 0.0 108.372 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -111.81 121.2 44.41 Favored 'General case' 0 N--CA 1.495 1.814 1 O-C-N 129.28 4.112 . . . . 0.0 103.543 174.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.03 170.68 15.8 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 O-C-N 127.823 3.202 . . . . 0.0 111.277 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -120.09 144.53 37.93 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 112.1 -2.318 . . . . 0.0 106.413 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.86 -24.71 39.97 Favored 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 122.717 2.278 . . . . 0.0 111.563 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -79.91 -8.19 59.18 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.922 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.01 148.58 47.48 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 117.264 -1.775 . . . . 0.0 109.737 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.8 p -83.9 160.43 21.11 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 1.24 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.38 -36.75 75.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 126.968 2.667 . . . . 0.0 110.392 175.869 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -43.01 77.89 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.341 -1.474 . . . . 0.0 110.991 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -64.3 -44.53 91.36 Favored 'General case' 0 C--O 1.249 1.064 0 C-N-CA 124.181 0.993 . . . . 0.0 111.471 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -58.56 -46.42 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.86 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -60.75 -37.89 83.35 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.853 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.03 86.76 Favored 'General case' 0 C--O 1.279 2.645 0 O-C-N 123.486 0.492 . . . . 0.0 111.273 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -64.08 -37.4 87.3 Favored 'General case' 0 C--O 1.254 1.301 0 O-C-N 120.449 -1.407 . . . . 0.0 110.844 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -39.73 78.3 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -48.72 79.05 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 125.538 2.59 . . . . 0.0 108.975 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.47 -41.77 66.55 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-N 113.696 -1.593 . . . . 0.0 111.818 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 2.4 mmmp? -93.4 -24.37 18.09 Favored 'General case' 0 C--O 1.281 2.722 0 N-CA-C 117.172 2.286 . . . . 0.0 117.172 -175.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.67 -6.37 8.04 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 122.962 2.619 . . . . 0.0 113.752 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.6 90.0 Favored Glycine 0 CA--C 1.475 -2.436 0 N-CA-C 118.746 2.258 . . . . 0.0 118.746 176.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.481 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 5.0 mm -79.89 125.13 82.67 Favored Pre-proline 0 C--O 1.242 0.681 0 C-N-CA 118.701 -1.2 . . . . 0.0 111.056 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.5 Cg_exo -57.12 136.95 79.6 Favored 'Trans proline' 0 C--O 1.257 1.431 0 C-N-CA 122.988 2.459 . . . . 0.0 110.866 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -57.11 -32.29 92.87 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 123.16 1.084 . . . . 0.0 113.431 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.25 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.813 0 O-C-N 119.913 -1.742 . . . . 0.0 112.306 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.669 ' HB3' HD21 ' B' ' 71' ' ' LEU . 0.5 OUTLIER -95.55 -10.61 29.17 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 120.466 -1.396 . . . . 0.0 112.225 178.44 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -84.8 129.64 34.79 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 124.199 1.952 . . . . 0.0 115.733 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 14.6 mmp_? -121.2 116.09 24.26 Favored 'General case' 0 C--O 1.299 3.676 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 172.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -103.56 130.3 50.95 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.506 1.048 . . . . 0.0 110.013 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mt -122.03 131.56 72.88 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.16 1.538 . . . . 0.0 112.009 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.21 129.83 19.12 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 177.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.21 45.87 19.9 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 111.974 -2.376 . . . . 0.0 110.65 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.95 20.21 59.78 Favored Glycine 0 C--N 1.299 -1.493 0 C-N-CA 128.271 2.844 . . . . 0.0 117.283 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.86 143.8 39.23 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 115.346 -2.264 . . . . 0.0 110.987 174.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -87.17 130.29 34.6 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 104.091 -2.559 . . . . 0.0 104.091 173.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.46 138.38 37.56 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.144 -175.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 1.24 ' O ' HG21 ' B' ' 23' ' ' ILE . 69.6 tt0 -101.92 139.92 36.91 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 125.255 1.597 . . . . 0.0 110.005 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.849 ' O ' HG23 ' B' ' 23' ' ' ILE . 0.3 OUTLIER -48.16 -41.95 28.27 Favored 'General case' 0 C--O 1.262 1.74 0 N-CA-C 120.844 3.646 . . . . 0.0 120.844 -175.761 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.29 -8.57 85.06 Favored Glycine 0 CA--C 1.492 -1.383 0 N-CA-C 115.96 1.144 . . . . 0.0 115.96 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.799 ' O ' HG22 ' B' ' 23' ' ' ILE . 0.2 OUTLIER -85.55 165.37 17.14 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 120.077 -1.837 . . . . 0.0 108.079 176.364 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 3.9 p -104.38 164.48 11.7 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.05 -36.38 79.44 Favored 'General case' 0 C--O 1.202 -1.44 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.8 p -63.74 -29.73 70.91 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 117.294 -1.763 . . . . 0.0 112.208 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -55.64 -39.03 70.32 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 122.494 1.14 . . . . 0.0 110.74 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -91.14 4.51 52.02 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 117.61 -1.186 . . . . 0.0 112.832 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 57.88 45.42 18.42 Favored 'General case' 0 C--O 1.248 1.001 0 CA-C-N 121.726 2.057 . . . . 0.0 111.25 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.9 mt -88.81 116.19 30.0 Favored 'Isoleucine or valine' 0 C--O 1.27 2.144 0 CA-C-O 115.135 -2.364 . . . . 0.0 106.193 175.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -103.24 169.5 8.51 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 126.067 2.104 . . . . 0.0 109.758 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 142.98 27.18 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.14 1.447 . . . . 0.0 109.266 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.93 19.12 10.65 Favored 'General case' 0 C--O 1.256 1.441 0 N-CA-C 117.841 2.534 . . . . 0.0 117.841 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -71.14 159.59 34.41 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' THR . . . . . 0.757 ' HB ' ' CE2' ' B' ' 4' ' ' PHE . 66.2 p -119.1 126.65 52.15 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 118.217 -0.897 . . . . 0.0 108.814 175.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.18 154.54 19.21 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 114.61 -2.614 . . . . 0.0 105.726 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -105.58 135.78 46.37 Favored 'General case' 0 C--N 1.282 -2.332 0 O-C-N 127.709 3.131 . . . . 0.0 105.781 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.09 115.86 30.91 Favored 'General case' 0 C--O 1.283 2.831 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.411 176.637 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.14 139.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 N-CA-C 103.462 -2.792 . . . . 0.0 103.462 175.24 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -96.17 -83.43 0.37 Allowed 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.044 0.45 . . . . 0.0 109.849 178.374 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.403 ' CB ' ' HA2' ' C' ' 101' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.524 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.449 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.59 0 CA-C-O 121.635 0.731 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -89.05 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.558 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.2 -39.54 75.13 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.885 172.468 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 56.9 t -144.4 136.03 21.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 125.244 1.418 . . . . 0.0 107.447 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.33 148.06 34.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.524 165.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -161.03 155.28 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.307 1.004 . . . . 0.0 111.196 173.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -72.2 127.81 33.72 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-N 114.207 -1.36 . . . . 0.0 112.295 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.411 ' HB3' HG23 ' C' ' 47' ' ' VAL . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.098 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.98 164.8 25.13 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.09 -179.22 3.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 31' ' ' MET . . . . . 0.677 ' HG2' ' HB2' ' C' ' 106' ' ' PHE . 0.0 OUTLIER -137.11 161.06 37.15 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.618 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 32' ' ' SER . . . . . 0.504 ' N ' ' SD ' ' C' ' 31' ' ' MET . 70.2 m -136.65 156.51 48.45 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.112 -1.435 . . . . 0.0 108.804 177.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.64 116.16 28.76 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 177.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -112.41 115.84 29.35 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 172.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.23 -116.0 8.57 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 -169.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.97 14.48 18.45 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.417 -0.392 . . . . 0.0 109.995 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -111.98 122.54 48.04 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.512 HG23 ' O ' ' C' ' 38' ' ' VAL . 34.3 m -76.11 120.0 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.696 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.13 119.37 26.49 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.161 -173.372 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.84 134.83 59.46 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-O 122.383 0.91 . . . . 0.0 111.819 173.43 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.79 132.17 34.17 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 172.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -11.33 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -172.3 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.04 144.44 56.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.03 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 125.58 26.82 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.589 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.24 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.203 1.446 . . . . 0.0 115.337 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.41 124.48 36.38 Favored 'General case' 0 N--CA 1.421 -1.917 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 47' ' ' VAL . . . . . 0.411 HG23 ' HB3' ' C' ' 28' ' ' ALA . 85.2 t -91.05 137.57 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 164.673 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -151.9 157.84 42.38 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 122.058 0.932 . . . . 0.0 112.99 175.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 95.3 mt -118.81 131.14 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 113.643 -1.617 . . . . 0.0 108.313 174.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -134.14 137.59 44.62 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.16 122.05 42.38 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.07 171.1 13.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.327 177.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -71.49 -10.5 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.67 -0.812 . . . . 0.0 113.173 -170.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -82.64 7.39 14.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.035 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 19.0 t 73.89 -1.31 3.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.399 1.48 . . . . 0.0 114.755 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.91 149.92 39.29 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.084 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mp -102.26 129.04 54.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.191 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.5 m170 -117.52 125.41 50.8 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -176.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -98.81 118.92 36.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 171.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 81.0 m -127.71 156.89 41.68 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -130.43 128.34 41.12 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.573 -1.649 . . . . 0.0 108.71 169.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -120.75 134.25 55.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.743 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -74.16 115.31 13.5 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.03 -32.39 73.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -176.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 21.6 p -72.55 -46.13 55.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.46 -20.51 21.68 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.516 -176.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.71 60.8 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 119.689 -0.506 . . . . 0.0 113.708 -171.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.5 129.98 39.59 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.646 1.223 . . . . 0.0 113.166 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 69' ' ' VAL . . . . . 0.401 HG22 ' H ' ' C' ' 69' ' ' VAL . 1.1 m -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.444 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -94.55 -28.83 15.21 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.898 -171.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -122.0 135.53 54.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.903 0.859 . . . . 0.0 109.386 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.96 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mt -118.12 123.33 45.32 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.213 -174.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 pp -75.91 124.23 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-O 122.396 1.093 . . . . 0.0 111.725 168.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.402 HD12 ' HG ' ' C' ' 80' ' ' CYS . 26.1 mm -122.97 130.35 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.615 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -101.2 158.96 30.81 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.489 1.118 . . . . 0.0 110.881 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.37 133.9 58.46 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.932 2.421 . . . . 0.0 111.282 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.46 6.81 5.89 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -175.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -70.4 -33.54 71.49 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.05 0.841 . . . . 0.0 109.603 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.402 ' HG ' HD12 ' C' ' 75' ' ' ILE . 0.8 OUTLIER -154.98 168.13 28.02 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.485 -1.286 . . . . 0.0 113.658 -173.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -133.38 139.3 46.71 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 113.515 -1.675 . . . . 0.0 107.003 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -106.73 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.52 156.47 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -67.82 142.87 56.03 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 85' ' ' VAL . . . . . 0.713 HG21 ' CE2' ' C' ' 106' ' ' PHE . 96.3 t -94.29 98.31 2.86 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 171.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -61.02 -31.96 91.73 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.783 2.186 . . . . 0.0 117.783 -167.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.12 8.65 34.54 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.981 -1.488 . . . . 0.0 112.259 -164.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 78.2 m -85.13 119.68 72.71 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -56.93 -19.93 34.23 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 122.995 0.997 . . . . 0.0 114.427 -173.208 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -34.69 78.9 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.426 0.557 . . . . 0.0 110.079 177.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.46 13.03 64.78 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.57 -172.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -120.93 17.06 11.76 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.05 133.45 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -125.02 151.76 45.15 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.438 1.711 . . . . 0.0 110.437 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 13.1 p -127.0 135.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 33.5 tp -95.5 108.12 20.33 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.863 -2.273 . . . . 0.0 104.863 169.093 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -109.23 125.19 51.99 Favored 'General case' 0 CA--C 1.484 -1.559 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -84.84 115.68 22.88 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.127 0.892 . . . . 0.0 109.17 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -63.45 -25.16 68.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.395 -169.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.22 115.1 28.79 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 173.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 101' ' ' GLY . . . . . 0.564 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 102.0 172.4 27.6 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -172.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.4 9.0 33.52 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.017 -0.696 . . . . 0.0 110.575 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -70.59 129.15 38.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.588 -165.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 141.81 46.14 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.892 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.56 126.15 45.35 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 171.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 106' ' ' PHE . . . . . 0.713 ' CE2' HG21 ' C' ' 85' ' ' VAL . 1.8 m-85 -100.83 143.72 30.65 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 124.73 1.269 . . . . 0.0 110.362 -177.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -137.08 156.64 48.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.251 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -131.46 126.59 35.42 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.544 -0.863 . . . . 0.0 110.397 174.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.63 137.72 58.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.251 -174.714 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.8 3.81 11.59 Favored 'General case' 0 N--CA 1.428 -1.57 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.292 179.281 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -61.21 135.88 93.74 Favored Pre-proline 0 C--O 1.266 1.953 0 CA-C-O 123.068 1.413 . . . . 0.0 108.696 172.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.29 -41.36 42.58 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.567 -1.155 . . . . 0.0 112.44 -174.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 146.9 24.25 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.0 110.532 173.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 10.9 t -83.39 -9.3 59.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.199 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -53.57 -33.83 56.17 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -103.23 5.91 37.87 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -56.96 -48.78 77.53 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.225 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.77 -32.27 70.68 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.548 -173.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -67.34 -43.98 80.22 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 120.928 0.394 . . . . 0.0 110.96 175.505 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -55.58 -45.85 77.3 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.003 -1.061 . . . . 0.0 112.398 173.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.62 -43.13 97.85 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.618 0.723 . . . . 0.0 110.297 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -43.53 98.67 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.167 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -42.38 96.71 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 77.5 t -52.31 -51.88 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.446 175.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.27 -39.57 87.27 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.24 -46.07 82.08 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.462 -178.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -78.99 -24.54 43.71 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.298 -174.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 5.7 mp -79.04 -36.14 41.49 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.762 -0.775 . . . . 0.0 112.228 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -110.73 -11.08 14.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -168.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.2 71.84 27.28 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 169.449 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 131' ' ' PRO . . . . . 0.569 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 72.4 Cg_exo -51.68 -44.69 42.73 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.597 1.531 . . . . 0.0 111.581 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 132' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 73.1 Cg_exo . . . . . 0 C--N 1.29 -2.535 0 C-N-CA 122.554 2.169 . . . . 0.0 111.558 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 106.887 -1.524 . . . . 0.0 106.887 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -91.16 138.29 31.71 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 126.836 2.585 . . . . 0.0 108.88 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.22 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -115.99 140.15 49.55 Favored 'General case' 0 N--CA 1.515 2.802 1 O-C-N 130.567 4.917 . . . . 0.0 108.804 179.565 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.4 t -118.05 114.29 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.602 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -95.19 127.53 41.32 Favored 'General case' 0 N--CA 1.505 2.287 1 O-C-N 129.374 4.172 . . . . 0.0 107.974 -178.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.409 HG22 HD23 ' A' ' 69' ' ' LEU . 69.6 p -99.66 170.71 8.38 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.865 -1.064 . . . . 0.0 109.28 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 mt -73.29 -7.03 49.79 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.095 0.872 . . . . 0.0 112.686 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.56 15.12 29.88 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.544 -2.462 . . . . 0.0 112.024 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.29 16.83 80.12 Favored Glycine 0 C--N 1.298 -1.574 0 O-C-N 120.197 -1.564 . . . . 0.0 116.124 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.58 138.11 34.65 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 174.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.92 131.66 55.28 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 126.607 2.442 . . . . 0.0 105.938 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.57 141.87 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.685 3.116 . . . . 0.0 108.867 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -101.29 139.78 36.5 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 117.142 -1.823 . . . . 0.0 108.251 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.53 154.02 44.4 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 115.507 -2.187 . . . . 0.0 108.24 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -111.75 120.97 43.81 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.226 4.079 . . . . 0.0 103.673 173.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -138.97 170.58 16.0 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 O-C-N 127.549 3.031 . . . . 0.0 111.25 -177.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.87 144.48 37.43 Favored Pre-proline 0 C--N 1.314 -0.943 0 CA-C-N 112.39 -2.186 . . . . 0.0 106.362 174.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -55.03 -24.3 39.34 Favored 'Trans proline' 0 C--N 1.319 -0.974 0 C-N-CA 122.514 2.143 . . . . 0.0 111.93 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.06 -8.12 59.21 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.918 -177.593 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.0 148.34 47.73 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 117.519 -1.672 . . . . 0.0 109.753 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.7 p -83.7 160.44 21.31 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 175.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.788 HG12 ' HG ' ' A' ' 50' ' ' LEU . 2.0 mp -61.38 -37.11 76.93 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 O-C-N 127.196 2.81 . . . . 0.0 110.236 175.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.57 -40.19 78.4 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.312 -0.867 . . . . 0.0 110.719 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.32 -41.88 80.18 Favored 'General case' 0 C--O 1.262 1.735 0 O-C-N 121.883 -0.51 . . . . 0.0 110.948 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.21 -46.49 88.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 O-C-N 124.446 1.092 . . . . 0.0 109.143 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HE3' HD21 ' A' ' 50' ' ' LEU . 4.1 mmtp -60.82 -37.97 83.82 Favored 'General case' 0 C--O 1.258 1.541 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.697 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.07 87.21 Favored 'General case' 0 C--O 1.277 2.54 0 CA-C-N 118.121 0.419 . . . . 0.0 111.149 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -37.42 87.42 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 123.089 1.423 . . . . 0.0 110.719 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 mt -69.98 -39.52 77.53 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -62.23 -48.79 78.41 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.571 2.605 . . . . 0.0 109.079 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -41.83 65.53 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 113.433 -1.712 . . . . 0.0 111.939 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -93.51 -24.32 18.03 Favored 'General case' 0 C--O 1.28 2.705 0 N-CA-C 117.233 2.309 . . . . 0.0 117.233 -175.847 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -123.35 -6.53 8.21 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 123.056 2.662 . . . . 0.0 114.292 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.08 5.61 90.0 Favored Glycine 0 CA--C 1.477 -2.287 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 28.8 mm -79.78 124.73 83.28 Favored Pre-proline 0 C--O 1.244 0.812 0 C-N-CA 118.872 -1.131 . . . . 0.0 110.977 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 80.1 Cg_exo -56.88 136.86 78.97 Favored 'Trans proline' 0 C--O 1.258 1.489 0 C-N-CA 123.407 2.738 . . . . 0.0 110.808 178.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.4 Cg_exo -57.19 -31.95 92.07 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 123.006 1.003 . . . . 0.0 113.686 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -15.34 63.51 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 119.851 -1.781 . . . . 0.0 112.188 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.98 -10.27 29.02 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 120.633 -1.292 . . . . 0.0 112.025 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -84.8 129.55 34.8 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 124.334 2.016 . . . . 0.0 115.685 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -121.03 116.11 24.42 Favored 'General case' 0 C--O 1.3 3.725 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 171.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.778 ' CB ' HD22 ' A' ' 50' ' ' LEU . 1.6 tp -103.59 130.24 50.97 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 119.548 1.067 . . . . 0.0 109.913 -177.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mt -121.98 131.79 72.36 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 O-C-N 125.135 1.522 . . . . 0.0 111.869 -177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -144.4 129.58 18.67 Favored 'General case' 0 C--N 1.36 1.047 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.18 19.54 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.197 -2.274 . . . . 0.0 110.696 177.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.41 ' HA3' ' CD2' ' C' ' 98' ' ' PHE . . . 61.51 21.82 60.72 Favored Glycine 0 N--CA 1.431 -1.644 0 C-N-CA 128.759 3.076 . . . . 0.0 117.506 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -115.1 142.78 46.18 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -85.86 130.31 34.58 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 103.753 -2.684 . . . . 0.0 103.753 174.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.897 ' O ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -79.49 138.12 37.45 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 117.649 -1.167 . . . . 0.0 110.22 -175.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -101.71 140.12 36.43 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 125.067 1.48 . . . . 0.0 109.959 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -48.12 -42.42 29.08 Favored 'General case' 0 C--O 1.264 1.83 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.84 85.42 Favored Glycine 0 CA--C 1.49 -1.527 0 N-CA-C 116.191 1.236 . . . . 0.0 116.191 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -85.3 165.32 17.39 Favored 'General case' 0 C--O 1.251 1.133 0 O-C-N 119.73 -2.041 . . . . 0.0 108.09 176.348 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.6 t -104.45 164.83 11.47 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.55 -36.01 79.4 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.429 ' N ' HG23 ' A' ' 55' ' ' THR . 8.3 t -64.13 -29.52 70.64 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.217 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.44 -39.58 70.48 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.451 1.119 . . . . 0.0 110.759 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -90.83 4.72 50.99 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 117.693 -1.146 . . . . 0.0 113.004 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.09 45.27 18.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 121.59 1.996 . . . . 0.0 111.191 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.7 mt -88.8 116.49 30.51 Favored 'Isoleucine or valine' 0 C--O 1.266 1.943 0 CA-C-O 115.187 -2.339 . . . . 0.0 106.227 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.54 169.66 8.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 126.075 2.109 . . . . 0.0 109.334 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -54.91 142.94 27.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 123.256 1.503 . . . . 0.0 109.045 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 67.11 19.1 10.47 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.4 t -71.16 159.51 34.54 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.16 126.81 52.47 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 118.173 -0.918 . . . . 0.0 108.786 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -103.18 154.6 19.15 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.779 -2.534 . . . . 0.0 105.627 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -105.66 135.69 46.62 Favored 'General case' 0 C--N 1.287 -2.125 0 O-C-N 127.287 2.867 . . . . 0.0 105.787 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.409 HD23 HG22 ' A' ' 7' ' ' THR . 43.2 tp -106.81 115.77 30.77 Favored 'General case' 0 C--O 1.286 3.01 0 CA-C-O 117.533 -1.222 . . . . 0.0 111.551 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.12 139.95 28.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 103.538 -2.764 . . . . 0.0 103.538 175.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.06 138.93 32.97 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.191 0.52 . . . . 0.0 109.827 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.278 -2.508 0 CA-C-O 113.21 -3.281 . . . . 0.0 105.539 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -91.04 138.45 31.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 127.105 2.753 . . . . 0.0 108.798 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.577 HG23 ' N ' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -131.12 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 CA-C-O 115.75 -2.072 . . . . 0.0 105.841 173.295 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 1.018 ' CE2' ' HB ' ' B' ' 12' ' ' THR . 0.1 OUTLIER -115.93 140.22 49.46 Favored 'General case' 0 N--CA 1.515 2.794 1 O-C-N 130.721 5.013 . . . . 0.0 108.599 179.667 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.738 ' N ' ' CD2' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -117.96 114.12 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-O 113.444 -3.17 . . . . 0.0 105.739 175.498 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.972 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.12 127.6 41.3 Favored 'General case' 0 N--CA 1.502 2.146 1 O-C-N 129.122 4.014 . . . . 0.0 108.153 -178.147 . . . . . . . . 4 4 . 1 . 013 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.813 HG23 ' H ' ' B' ' 9' ' ' THR . 8.3 t -99.54 170.85 8.31 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.38 -7.03 49.93 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.114 0.884 . . . . 0.0 112.864 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.813 ' H ' HG23 ' B' ' 7' ' ' THR . 17.2 m -101.2 14.78 30.88 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 115.673 -2.411 . . . . 0.0 111.929 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.53 16.61 80.1 Favored Glycine 0 C--N 1.296 -1.649 0 O-C-N 120.176 -1.577 . . . . 0.0 116.089 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.421 ' O ' HG22 ' B' ' 7' ' ' THR . 1.0 OUTLIER -96.24 137.87 34.69 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 105.526 -2.027 . . . . 0.0 105.526 174.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 12' ' ' THR . . . . . 1.018 ' HB ' ' CE2' ' B' ' 4' ' ' PHE . 0.5 OUTLIER -119.86 131.99 55.43 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 126.301 2.251 . . . . 0.0 106.198 176.095 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -109.55 141.73 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 127.706 3.129 . . . . 0.0 109.093 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p -101.13 139.85 36.24 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 116.989 -1.884 . . . . 0.0 108.447 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -126.44 154.07 44.18 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 115.512 -2.185 . . . . 0.0 108.463 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -111.84 121.14 44.25 Favored 'General case' 0 N--CA 1.497 1.891 1 O-C-N 129.224 4.077 . . . . 0.0 103.504 174.127 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.682 HG21 HD11 ' B' ' 56' ' ' LEU . 2.5 p -139.04 170.58 15.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.296 0 O-C-N 127.732 3.145 . . . . 0.0 111.247 -177.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.546 ' H ' HG22 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -120.01 144.65 38.06 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.098 -2.319 . . . . 0.0 106.346 174.597 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 74.3 Cg_exo -54.94 -24.77 40.85 Favored 'Trans proline' 0 C--N 1.317 -1.085 0 C-N-CA 122.761 2.308 . . . . 0.0 111.516 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.85 -8.24 59.18 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.901 -177.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.93 148.49 47.67 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 117.298 -1.761 . . . . 0.0 109.759 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.83 160.47 21.17 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.714 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.693 HG13 HD12 ' B' ' 50' ' ' LEU . 8.2 mm -61.38 -36.8 75.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 126.962 2.664 . . . . 0.0 110.427 175.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.791 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.14 -42.89 77.66 Favored 'General case' 0 C--O 1.252 1.213 0 O-C-N 120.434 -1.416 . . . . 0.0 111.015 176.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.5 -44.47 90.83 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 124.217 1.007 . . . . 0.0 111.366 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.63 -46.29 90.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.81 1.319 . . . . 0.0 108.957 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.804 ' O ' ' NE2' ' B' ' 31' ' ' GLN . 17.0 mttt -60.77 -37.86 83.29 Favored 'General case' 0 C--O 1.255 1.353 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.941 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.651 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -66.4 -37.9 86.27 Favored 'General case' 0 C--O 1.278 2.591 0 O-C-N 123.416 0.447 . . . . 0.0 111.313 176.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -64.06 -37.42 87.36 Favored 'General case' 0 C--O 1.255 1.355 0 O-C-N 120.507 -1.37 . . . . 0.0 110.835 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.512 HD13 HE22 ' B' ' 41' ' ' GLN . 3.5 mt -69.76 -39.74 78.3 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLN . . . . . 1.199 ' OE1' ' O ' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -61.96 -48.77 78.88 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.547 2.594 . . . . 0.0 109.036 179.608 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.33 -41.9 66.19 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.835 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.319 3.1 ttmt -93.49 -24.22 18.08 Favored 'General case' 0 C--O 1.28 2.709 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 -175.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -123.66 -6.24 8.05 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 122.921 2.6 . . . . 0.0 113.778 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.92 5.65 89.96 Favored Glycine 0 CA--C 1.475 -2.45 0 N-CA-C 118.748 2.259 . . . . 0.0 118.748 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 1.199 ' O ' ' OE1' ' B' ' 31' ' ' GLN . 11.8 mt -80.02 125.01 82.68 Favored Pre-proline 0 C--O 1.242 0.683 0 C-N-CA 118.677 -1.209 . . . . 0.0 111.047 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 79.7 Cg_exo -57.08 136.96 79.7 Favored 'Trans proline' 0 C--O 1.256 1.423 0 C-N-CA 122.88 2.387 . . . . 0.0 110.958 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.8 ' HG3' ' HG3' ' B' ' 31' ' ' GLN . 35.8 Cg_exo -57.19 -32.11 92.57 Favored 'Trans proline' 0 C--O 1.262 1.708 0 O-C-N 123.009 1.005 . . . . 0.0 113.38 -179.138 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -68.35 -15.49 63.58 Favored 'General case' 0 C--O 1.264 1.862 0 O-C-N 120.056 -1.653 . . . . 0.0 112.219 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.791 ' HB3' HD11 ' B' ' 71' ' ' LEU . 2.0 mm100 -95.6 -10.62 29.02 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.378 -1.451 . . . . 0.0 112.16 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLN . . . . . 0.512 HE22 HD13 ' B' ' 30' ' ' ILE . 3.0 mt-30 -84.89 129.61 34.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 124.252 1.977 . . . . 0.0 115.759 -177.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 12.1 mmp_? -121.15 116.24 24.58 Favored 'General case' 0 C--O 1.298 3.63 0 N-CA-C 104.744 -2.317 . . . . 0.0 104.744 172.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mt -103.68 130.29 51.13 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 119.522 1.055 . . . . 0.0 109.964 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.63 ' C ' ' CD2' ' B' ' 45' ' ' PHE . 0.7 OUTLIER -122.04 131.58 72.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 125.077 1.486 . . . . 0.0 112.032 -177.476 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.774 ' N ' ' CD2' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.28 129.85 19.06 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 105.302 -2.11 . . . . 0.0 105.302 177.429 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.43 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . . . 48.18 45.99 19.77 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 112.051 -2.341 . . . . 0.0 110.62 177.375 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 20.28 59.59 Favored Glycine 0 C--N 1.297 -1.603 0 C-N-CA 128.263 2.84 . . . . 0.0 117.389 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -109.93 143.83 39.3 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 115.383 -2.246 . . . . 0.0 110.905 174.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -87.21 130.32 34.61 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 103.972 -2.603 . . . . 0.0 103.972 173.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.703 HD23 ' CD2' ' B' ' 45' ' ' PHE . 1.4 mm? -79.49 138.39 37.53 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 117.573 -1.203 . . . . 0.0 110.136 -175.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.92 140.12 36.63 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 125.273 1.608 . . . . 0.0 109.932 -177.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.791 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.4 OUTLIER -48.36 -42.17 30.76 Favored 'General case' 0 C--O 1.264 1.816 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.695 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.0 -8.71 85.36 Favored Glycine 0 N--CA 1.476 1.307 0 N-CA-C 115.967 1.147 . . . . 0.0 115.967 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 165.18 17.32 Favored 'General case' 0 C--O 1.251 1.181 0 O-C-N 120.237 -1.743 . . . . 0.0 108.094 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.9 p -104.24 164.51 11.67 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.682 HD11 HG21 ' B' ' 17' ' ' VAL . 2.1 mt -61.06 -36.53 79.85 Favored 'General case' 0 C--O 1.201 -1.457 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.229 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -63.6 -29.85 71.04 Favored 'General case' 0 C--O 1.267 1.981 0 C-N-CA 117.326 -1.75 . . . . 0.0 112.201 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -55.64 -38.95 70.21 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 122.591 1.186 . . . . 0.0 110.812 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.756 ' CZ ' ' HB2' ' B' ' 45' ' ' PHE . 28.4 t80 -91.08 4.35 52.37 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 117.582 -1.199 . . . . 0.0 112.872 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.99 45.41 18.09 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 121.713 2.051 . . . . 0.0 111.261 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.0 OUTLIER -88.83 116.32 30.23 Favored 'Isoleucine or valine' 0 C--O 1.269 2.114 0 CA-C-O 115.065 -2.397 . . . . 0.0 106.302 175.814 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.37 169.48 8.52 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 126.144 2.153 . . . . 0.0 109.712 -176.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -54.85 142.98 27.29 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 123.225 1.488 . . . . 0.0 109.229 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.07 18.99 10.53 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.447 ' HB3' HD13 ' B' ' 61' ' ' ILE . 7.1 t -71.12 159.58 34.44 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.0 t -119.06 126.6 52.07 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 118.221 -0.895 . . . . 0.0 108.772 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.575 ' HG ' ' HA ' ' B' ' 5' ' ' VAL . 2.5 pp -103.14 154.57 19.16 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.66 -2.59 . . . . 0.0 105.768 175.03 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -105.65 135.85 46.32 Favored 'General case' 0 C--N 1.282 -2.336 0 O-C-N 127.473 2.983 . . . . 0.0 105.636 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.3 tp -107.15 115.81 30.83 Favored 'General case' 0 C--O 1.284 2.882 0 CA-C-O 117.572 -1.204 . . . . 0.0 111.393 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -108.12 139.94 28.43 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 N-CA-C 103.411 -2.811 . . . . 0.0 103.411 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.11 -83.4 0.37 Allowed 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.15 0.5 . . . . 0.0 109.876 178.325 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.277 -2.546 0 CA-C-O 113.399 -3.191 . . . . 0.0 105.415 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.585 0.707 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -89.12 137.86 31.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.557 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.497 HD23 ' CD2' ' C' ' 127' ' ' TYR . 8.2 mp -70.18 -39.6 75.15 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.603 0.716 . . . . 0.0 111.833 172.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 t -144.37 136.06 21.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.247 1.419 . . . . 0.0 107.472 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -144.37 147.99 34.12 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.603 165.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -160.94 155.29 23.16 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 124.324 1.015 . . . . 0.0 111.257 173.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.27 127.83 33.78 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-N 114.295 -1.32 . . . . 0.0 112.34 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.19 147.66 6.72 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.062 0.934 . . . . 0.0 110.098 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.01 164.84 25.11 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.12 -179.2 3.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 31' ' ' MET . . . . . 0.513 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.11 161.11 37.03 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.673 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 32' ' ' SER . . . . . 0.513 ' N ' ' HG2' ' C' ' 31' ' ' MET . 5.4 m -136.67 156.41 48.57 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 118.156 -1.418 . . . . 0.0 108.8 177.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 116.14 28.74 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.944 -1.872 . . . . 0.0 105.944 177.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.32 115.83 29.38 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 172.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.22 -116.0 8.57 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.799 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.0 14.56 18.43 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.416 -0.392 . . . . 0.0 109.994 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -112.06 122.46 47.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -172.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.508 HG23 ' HG3' ' C' ' 31' ' ' MET . 0.2 OUTLIER -76.11 120.01 25.28 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.747 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -124.05 119.41 26.58 Favored Pre-proline 0 C--O 1.245 0.866 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.141 -173.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.84 59.27 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 CA-C-O 122.309 0.879 . . . . 0.0 111.836 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -85.74 132.11 34.2 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 172.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.88 -11.25 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -172.272 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 144.5 55.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -173.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -68.12 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 171.61 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.38 171.26 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.299 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 8.4 tp -128.37 124.41 36.33 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 175.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -91.03 137.64 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 164.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -152.0 157.76 42.15 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.041 0.924 . . . . 0.0 113.017 175.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 82.9 mt -118.8 131.08 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 113.602 -1.636 . . . . 0.0 108.351 174.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.07 137.64 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-N 115.019 -0.992 . . . . 0.0 108.338 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -100.16 122.01 42.33 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.06 171.11 13.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.291 177.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.52 -10.45 59.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.67 -0.812 . . . . 0.0 113.165 -170.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.66 7.45 14.74 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.987 170.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t 73.71 -1.23 3.12 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.505 1.522 . . . . 0.0 114.744 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.84 149.94 39.42 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.116 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 mm -102.21 129.06 54.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.197 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.5 OUTLIER -117.59 125.35 50.62 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -176.488 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 59' ' ' PHE . . . . . 0.403 ' HB2' HG13 ' C' ' 75' ' ' ILE . 20.4 t80 -98.73 119.0 36.73 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 171.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 14.6 m -127.74 156.94 41.63 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -171.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -130.53 128.33 40.93 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.702 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -120.72 134.36 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.772 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -74.28 115.28 13.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 173.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -64.04 -32.4 73.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -176.193 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 68.8 p -72.51 -46.13 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -91.39 -20.57 21.67 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.539 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.71 60.93 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-O 119.778 -0.457 . . . . 0.0 113.775 -171.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.57 130.04 39.69 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.606 1.203 . . . . 0.0 113.157 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -84.1 109.07 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 173.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.44 -28.92 15.23 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.946 -171.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.97 135.56 54.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.82 0.819 . . . . 0.0 109.383 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -154.99 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mp -118.08 123.2 45.05 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.296 -174.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.87 124.28 33.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.432 1.111 . . . . 0.0 111.715 168.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.755 ' HB ' HD23 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -122.97 130.43 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.615 -174.36 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.31 158.91 30.88 Favored Pre-proline 0 C--O 1.241 0.652 0 O-C-N 124.463 1.102 . . . . 0.0 110.856 173.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.34 133.92 58.46 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.92 2.413 . . . . 0.0 111.31 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.58 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -70.47 -33.55 71.39 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.038 0.835 . . . . 0.0 109.579 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 20.4 p -154.93 168.16 27.89 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.43 -1.308 . . . . 0.0 113.639 -173.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.45 139.29 46.62 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 113.441 -1.709 . . . . 0.0 107.009 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -106.67 124.16 49.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -148.51 156.46 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.8 142.76 56.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.449 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.15 98.42 2.87 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 171.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.1 -31.96 91.08 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 N-CA-C 117.742 2.17 . . . . 0.0 117.742 -167.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.12 8.66 34.5 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.981 -1.488 . . . . 0.0 112.259 -164.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.09 119.59 72.65 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.83 -19.95 33.64 Favored 'Trans proline' 0 C--N 1.346 0.431 0 O-C-N 122.937 0.967 . . . . 0.0 114.437 -173.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -65.54 -34.52 78.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.383 0.538 . . . . 0.0 110.137 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 12.99 64.73 Favored Glycine 0 CA--C 1.506 -0.492 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.505 -172.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 92' ' ' ARG . . . . . 0.483 HH11 ' HD3' ' C' ' 92' ' ' ARG . 1.3 mmt180 -120.98 17.13 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 69.7 t -97.05 133.45 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -125.03 151.85 45.05 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.481 1.738 . . . . 0.0 110.408 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 4.5 p -127.06 135.27 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 tp -95.34 108.15 20.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 169.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -109.28 125.16 52.0 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -171.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.41 ' CD2' ' HA3' ' A' ' 47' ' ' GLY . 68.4 m-85 -84.77 115.64 22.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.026 0.828 . . . . 0.0 109.189 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -25.19 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.356 -169.633 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.24 115.19 28.93 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 173.547 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 101' ' ' GLY . . . . . 0.664 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.88 172.48 27.76 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -172.782 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.38 8.95 33.71 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.047 -0.678 . . . . 0.0 110.482 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -70.66 129.24 38.63 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 141.84 46.21 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.908 175.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 14.6 mt -124.63 126.19 45.35 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 106' ' ' PHE . . . . . 0.457 ' HB2' ' SD ' ' C' ' 31' ' ' MET . 15.9 m-85 -100.85 143.65 30.76 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 124.718 1.261 . . . . 0.0 110.336 -177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -137.03 156.64 48.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.294 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -131.43 126.59 35.48 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.589 -0.845 . . . . 0.0 110.416 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 5.0 mmt -62.72 137.74 58.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.264 -174.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -118.83 3.97 11.55 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.271 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.34 135.96 93.97 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.146 1.451 . . . . 0.0 108.637 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.3 -41.38 42.32 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 117.611 -1.126 . . . . 0.0 112.363 -174.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 146.95 24.23 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 121.138 0.494 . . . . 0.0 110.479 173.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 80.9 p -83.48 -9.23 59.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.182 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -53.57 -33.82 56.15 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -103.23 5.89 37.86 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -56.87 -48.86 77.14 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.0 -1.08 . . . . 0.0 110.247 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -69.83 -32.22 70.53 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.543 -173.401 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.27 -44.03 80.34 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -55.65 -45.88 77.56 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.025 -1.047 . . . . 0.0 112.249 173.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 9.6 t -60.61 -43.02 97.92 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.681 0.753 . . . . 0.0 110.336 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -43.51 98.7 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.072 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -64.22 -42.3 96.63 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 11.3 t -52.31 -51.93 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.386 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.3 -39.48 87.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.37 -45.97 81.96 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.453 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 127' ' ' TYR . . . . . 0.497 ' CD2' HD23 ' C' ' 23' ' ' LEU . 71.7 m-85 -78.98 -24.51 43.76 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.474 -0.89 . . . . 0.0 112.394 -174.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 1.053 HD22 ' O ' ' C' ' 128' ' ' LEU . 0.3 OUTLIER -79.04 -36.06 41.61 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.711 -0.795 . . . . 0.0 112.254 174.518 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 129' ' ' ASN . . . . . 0.456 ' N ' HD13 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.82 -11.04 14.41 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -168.536 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -141.18 71.81 27.37 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 169.424 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 131' ' ' PRO . . . . . 0.561 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 60.2 Cg_exo -52.4 -45.18 41.42 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.59 1.527 . . . . 0.0 111.645 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 132' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 92.3 Cg_endo . . . . . 0 C--N 1.289 -2.59 0 C-N-CA 122.426 2.084 . . . . 0.0 111.654 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 CA--C 1.55 0.953 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.07 138.21 31.77 Favored 'General case' 0 C--O 1.264 1.821 0 O-C-N 126.946 2.654 . . . . 0.0 108.968 178.201 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.551 HG23 ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.28 163.02 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.343 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 173.538 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.551 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -115.99 140.21 49.49 Favored 'General case' 0 N--CA 1.513 2.682 1 O-C-N 130.51 4.881 . . . . 0.0 108.705 179.727 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.5 t -118.14 114.23 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-O 113.426 -3.178 . . . . 0.0 105.578 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -95.19 127.58 41.36 Favored 'General case' 0 N--CA 1.507 2.392 1 O-C-N 129.381 4.176 . . . . 0.0 107.899 -178.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.8 p -99.67 170.72 8.37 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.89 -1.053 . . . . 0.0 109.294 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -7.0 49.7 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.153 0.908 . . . . 0.0 112.656 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.8 p -101.54 15.03 30.17 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.694 -2.403 . . . . 0.0 112.059 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.31 16.76 80.16 Favored Glycine 0 C--N 1.298 -1.54 0 O-C-N 120.159 -1.588 . . . . 0.0 116.106 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 138.1 34.51 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 175.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.01 131.68 55.22 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 126.574 2.421 . . . . 0.0 105.916 176.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.6 141.97 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 127.562 3.039 . . . . 0.0 108.831 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 t -101.4 139.68 36.74 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 117.124 -1.83 . . . . 0.0 108.252 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mp -126.46 154.07 44.21 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 115.384 -2.246 . . . . 0.0 108.303 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -111.86 120.99 43.81 Favored 'General case' 0 N--CA 1.499 1.985 1 O-C-N 129.277 4.11 . . . . 0.0 103.709 173.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.85 170.55 16.15 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 O-C-N 127.467 2.979 . . . . 0.0 111.184 -177.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.958 0 CA-C-N 112.327 -2.215 . . . . 0.0 106.355 174.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -54.99 -24.38 39.37 Favored 'Trans proline' 0 C--N 1.321 -0.883 0 C-N-CA 122.465 2.11 . . . . 0.0 111.967 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -79.92 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.918 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.04 148.4 47.6 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 117.483 -1.687 . . . . 0.0 109.796 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.74 160.45 21.26 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 175.755 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.9 mm -61.38 -37.17 77.07 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 O-C-N 127.18 2.8 . . . . 0.0 110.296 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -40.2 78.21 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.322 -0.861 . . . . 0.0 110.745 177.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -68.19 -42.0 80.59 Favored 'General case' 0 C--O 1.262 1.716 0 O-C-N 121.83 -0.544 . . . . 0.0 110.979 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -46.51 88.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 124.402 1.064 . . . . 0.0 109.141 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.75 -37.9 83.36 Favored 'General case' 0 C--O 1.258 1.536 0 CA-C-O 118.872 -0.585 . . . . 0.0 110.731 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.17 87.4 Favored 'General case' 0 C--O 1.277 2.532 0 CA-C-N 118.186 0.448 . . . . 0.0 111.134 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -64.09 -37.5 87.68 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-O 123.012 1.387 . . . . 0.0 110.666 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.512 HG22 ' CG2' ' A' ' 36' ' ' ILE . 5.4 mt -69.99 -39.45 77.42 Favored 'Isoleucine or valine' 0 C--O 1.251 1.175 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.39 -48.59 79.07 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 125.481 2.563 . . . . 0.0 109.073 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -41.74 65.89 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-N 113.56 -1.655 . . . . 0.0 111.937 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 22.0 tttt -93.6 -24.19 18.01 Favored 'General case' 0 C--O 1.28 2.669 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -175.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -123.44 -6.52 8.16 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.115 2.689 . . . . 0.0 114.278 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.64 89.95 Favored Glycine 0 CA--C 1.479 -2.187 0 N-CA-C 118.811 2.285 . . . . 0.0 118.811 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.512 ' CG2' HG22 ' A' ' 30' ' ' ILE . 9.9 tt -79.78 124.7 83.3 Favored Pre-proline 0 C--O 1.245 0.821 0 C-N-CA 118.891 -1.124 . . . . 0.0 110.898 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 80.0 Cg_exo -56.88 136.91 79.24 Favored 'Trans proline' 0 C--O 1.26 1.597 0 C-N-CA 123.317 2.678 . . . . 0.0 110.804 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.6 Cg_exo -57.25 -31.93 92.16 Favored 'Trans proline' 0 C--O 1.262 1.701 0 O-C-N 123.014 1.007 . . . . 0.0 113.677 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -68.39 -15.39 63.54 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 119.811 -1.805 . . . . 0.0 112.323 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -95.92 -10.36 28.94 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.677 -1.264 . . . . 0.0 112.029 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -84.81 129.58 34.8 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 124.345 2.021 . . . . 0.0 115.749 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -121.04 116.09 24.39 Favored 'General case' 0 C--O 1.3 3.711 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 171.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.0 mt -103.52 130.13 50.85 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 119.535 1.061 . . . . 0.0 110.017 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.425 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -122.02 131.84 72.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 O-C-N 125.229 1.58 . . . . 0.0 111.897 -177.487 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -144.38 129.54 18.65 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.25 46.06 20.01 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.21 -2.268 . . . . 0.0 110.697 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.59 21.72 60.77 Favored Glycine 0 N--CA 1.432 -1.575 0 C-N-CA 128.61 3.005 . . . . 0.0 117.534 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.05 142.8 46.15 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.78 130.29 34.6 Favored 'General case' 0 C--O 1.258 1.546 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 174.529 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 mt -79.5 138.1 37.43 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 117.67 -1.157 . . . . 0.0 110.212 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -101.67 140.16 36.33 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.103 1.502 . . . . 0.0 110.0 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -47.98 -42.53 28.0 Favored 'General case' 0 C--O 1.264 1.828 0 N-CA-C 120.82 3.637 . . . . 0.0 120.82 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.94 85.38 Favored Glycine 0 CA--C 1.49 -1.507 0 N-CA-C 116.22 1.248 . . . . 0.0 116.22 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -85.36 165.29 17.37 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 119.769 -2.018 . . . . 0.0 108.136 176.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.6 t -104.51 164.86 11.45 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.513 HD22 HD13 ' A' ' 61' ' ' ILE . 10.7 mt -61.63 -35.96 79.4 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -64.15 -29.43 70.55 Favored 'General case' 0 C--O 1.267 2.025 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.251 -179.619 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -39.66 70.64 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.447 1.118 . . . . 0.0 110.643 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -90.75 4.67 50.96 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 117.679 -1.153 . . . . 0.0 112.977 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 m120 58.04 45.2 18.26 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 121.626 2.012 . . . . 0.0 111.22 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.513 HD13 HD22 ' A' ' 56' ' ' LEU . 4.4 mt -88.71 116.53 30.53 Favored 'Isoleucine or valine' 0 C--O 1.267 1.982 0 CA-C-O 115.19 -2.338 . . . . 0.0 106.18 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -103.53 169.61 8.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 126.046 2.091 . . . . 0.0 109.398 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 142.87 27.58 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 123.272 1.51 . . . . 0.0 109.17 -176.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 67.05 19.3 10.52 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 117.96 2.578 . . . . 0.0 117.96 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.22 159.54 34.45 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 174.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.411 ' HB ' HG23 ' B' ' 70' ' ' VAL . 0.9 OUTLIER -119.21 126.82 52.44 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 118.119 -0.943 . . . . 0.0 108.769 175.835 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mt -103.21 154.6 19.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.669 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.422 ' O ' HG23 ' A' ' 44' ' ' ILE . 13.1 t60 -105.67 135.62 46.75 Favored 'General case' 0 C--N 1.285 -2.202 0 O-C-N 127.375 2.922 . . . . 0.0 105.875 177.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tt -106.81 115.8 30.82 Favored 'General case' 0 C--O 1.286 2.994 0 CA-C-O 117.591 -1.195 . . . . 0.0 111.464 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.15 139.99 28.29 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 N-CA-C 103.544 -2.762 . . . . 0.0 103.544 175.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.12 138.83 33.17 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.292 0.567 . . . . 0.0 109.74 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.276 2.451 0 CA-C-O 113.146 -3.311 . . . . 0.0 105.574 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mmt . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -91.02 138.48 31.57 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 127.135 2.772 . . . . 0.0 108.837 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pp -131.12 163.09 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 CA-C-O 115.844 -2.027 . . . . 0.0 105.883 173.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 1.007 ' CE1' ' HB ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -116.03 140.29 49.41 Favored 'General case' 0 N--CA 1.515 2.784 1 O-C-N 130.579 4.924 . . . . 0.0 108.533 179.763 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.739 ' N ' ' CD1' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -117.99 113.95 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 113.39 -3.195 . . . . 0.0 105.824 175.513 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.822 ' CB ' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.01 127.63 41.21 Favored 'General case' 0 N--CA 1.503 2.215 1 O-C-N 129.186 4.054 . . . . 0.0 108.184 -178.176 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.714 ' H ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.33 -7.0 49.74 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 124.066 0.854 . . . . 0.0 112.81 -178.271 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.2 t -101.24 14.82 30.77 Favored 'General case' 0 N--CA 1.506 2.335 0 C-N-CA 115.697 -2.401 . . . . 0.0 111.974 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.56 16.52 80.16 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 120.224 -1.547 . . . . 0.0 116.084 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 137.97 34.5 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 174.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' THR . . . . . 1.007 ' HB ' ' CE1' ' B' ' 4' ' ' PHE . 0.4 OUTLIER -119.98 131.93 55.33 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 126.437 2.335 . . . . 0.0 106.174 176.077 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mp -109.5 141.68 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 127.689 3.118 . . . . 0.0 109.102 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.6 p -101.16 140.0 36.06 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 116.961 -1.896 . . . . 0.0 108.388 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 mt -126.63 153.92 44.69 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 115.501 -2.19 . . . . 0.0 108.343 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.7 121.09 44.18 Favored 'General case' 0 N--CA 1.496 1.848 1 O-C-N 129.249 4.093 . . . . 0.0 103.656 173.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.03 170.64 15.85 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 O-C-N 127.869 3.23 . . . . 0.0 111.237 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.01 144.58 37.9 Favored Pre-proline 0 C--N 1.312 -1.036 0 CA-C-N 112.1 -2.318 . . . . 0.0 106.339 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 24.8 Cg_endo -54.94 -24.65 40.31 Favored 'Trans proline' 0 C--N 1.317 -1.094 0 C-N-CA 122.691 2.26 . . . . 0.0 111.558 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.6 p -79.91 -8.19 59.18 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.931 -177.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.9 148.53 47.67 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 117.38 -1.728 . . . . 0.0 109.735 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.88 160.52 21.11 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 18.0 mm -61.44 -36.77 75.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 126.977 2.673 . . . . 0.0 110.329 175.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.18 -42.87 77.76 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 120.447 -1.408 . . . . 0.0 110.988 176.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.43 HD21 ' HG1' ' B' ' 22' ' ' THR . 17.0 m-80 -64.5 -44.52 90.68 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.247 1.019 . . . . 0.0 111.405 -179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -46.3 90.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.86 1.35 . . . . 0.0 109.0 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -60.77 -37.92 83.49 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.826 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.99 86.57 Favored 'General case' 0 C--O 1.278 2.589 0 O-C-N 123.313 0.383 . . . . 0.0 111.309 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -64.01 -37.44 87.44 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 122.992 1.377 . . . . 0.0 110.859 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -39.73 78.45 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.96 -48.81 78.7 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 125.44 2.543 . . . . 0.0 109.041 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.37 -41.86 66.28 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.815 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.321 9.7 mtpt -93.45 -24.24 18.1 Favored 'General case' 0 C--O 1.281 2.732 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -123.68 -6.3 8.04 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 122.958 2.617 . . . . 0.0 113.785 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.59 90.02 Favored Glycine 0 CA--C 1.477 -2.308 0 N-CA-C 118.665 2.226 . . . . 0.0 118.665 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.474 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 36.4 mm -79.83 124.99 83.07 Favored Pre-proline 0 C--O 1.242 0.667 0 C-N-CA 118.749 -1.18 . . . . 0.0 111.044 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 80.5 Cg_exo -57.06 136.99 79.95 Favored 'Trans proline' 0 C--O 1.256 1.424 0 C-N-CA 122.944 2.43 . . . . 0.0 110.895 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.3 Cg_exo -57.26 -32.21 92.99 Favored 'Trans proline' 0 C--O 1.261 1.657 0 O-C-N 123.116 1.061 . . . . 0.0 113.367 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.17 -15.62 63.66 Favored 'General case' 0 C--O 1.264 1.831 0 O-C-N 119.973 -1.704 . . . . 0.0 112.27 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.8 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 6.9 mm-40 -95.47 -10.69 29.11 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.562 -1.337 . . . . 0.0 112.209 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -84.82 129.66 34.78 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 124.27 1.986 . . . . 0.0 115.755 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.413 ' HB2' HG13 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -121.22 116.24 24.53 Favored 'General case' 0 C--O 1.298 3.621 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 172.178 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.65 130.22 51.07 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.457 1.026 . . . . 0.0 109.977 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mm -121.99 131.57 72.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.063 1.477 . . . . 0.0 112.044 -177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.21 129.75 19.04 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.26 45.88 20.06 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 112.042 -2.344 . . . . 0.0 110.622 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.96 20.22 59.82 Favored Glycine 0 C--N 1.298 -1.562 0 C-N-CA 128.22 2.819 . . . . 0.0 117.324 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.91 143.91 39.16 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 115.385 -2.245 . . . . 0.0 110.908 174.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.419 ' CB ' ' HE2' ' C' ' 99' ' ' LYS . 0.9 OUTLIER -87.13 130.32 34.57 Favored 'General case' 0 C--N 1.28 -2.418 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 173.339 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.62 138.42 37.42 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.159 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -101.94 140.0 36.82 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 125.175 1.547 . . . . 0.0 109.884 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.606 ' O ' ' HG3' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -48.13 -42.14 28.45 Favored 'General case' 0 C--O 1.262 1.723 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -175.839 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.14 -8.67 85.19 Favored Glycine 0 CA--C 1.492 -1.353 0 N-CA-C 115.924 1.13 . . . . 0.0 115.924 -177.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -85.61 165.32 17.13 Favored 'General case' 0 C--O 1.251 1.146 0 O-C-N 120.15 -1.794 . . . . 0.0 108.069 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 76.8 p -104.4 164.52 11.68 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.703 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.5 OUTLIER -61.08 -36.31 79.3 Favored 'General case' 0 C--O 1.201 -1.452 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.213 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -29.65 70.81 Favored 'General case' 0 C--O 1.266 1.954 0 C-N-CA 117.267 -1.773 . . . . 0.0 112.167 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.7 -39.03 70.48 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.548 1.166 . . . . 0.0 110.755 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -91.07 4.44 52.13 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.63 -1.176 . . . . 0.0 112.903 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.6 t30 57.91 45.53 18.15 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 121.77 2.077 . . . . 0.0 111.229 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.703 ' CG2' ' O ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -88.88 116.25 30.14 Favored 'Isoleucine or valine' 0 C--O 1.27 2.142 0 CA-C-O 115.045 -2.407 . . . . 0.0 106.214 175.838 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.34 169.5 8.51 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 126.144 2.152 . . . . 0.0 109.693 -176.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 143.01 27.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.128 1.442 . . . . 0.0 109.283 -176.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 66.92 19.17 10.64 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.14 159.62 34.35 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -119.1 126.62 52.08 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 118.248 -0.882 . . . . 0.0 108.75 175.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.18 154.56 19.19 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 114.715 -2.564 . . . . 0.0 105.715 174.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -105.61 135.74 46.46 Favored 'General case' 0 C--N 1.283 -2.295 0 O-C-N 127.532 3.02 . . . . 0.0 105.751 177.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.06 115.88 30.95 Favored 'General case' 0 C--O 1.283 2.864 0 CA-C-O 117.626 -1.178 . . . . 0.0 111.424 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.413 HG13 ' HB2' ' B' ' 42' ' ' ARG . 5.5 p -108.2 139.85 28.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 N-CA-C 103.474 -2.788 . . . . 0.0 103.474 175.227 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.805 HD12 ' C ' ' B' ' 71' ' ' LEU . 0.6 OUTLIER -96.08 -83.43 0.37 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 121.164 0.507 . . . . 0.0 109.805 178.439 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.594 ' N ' ' HG ' ' B' ' 71' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.278 -2.5 0 CA-C-O 113.449 -3.167 . . . . 0.0 105.466 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 tttt . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.629 0.728 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -89.05 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.558 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.412 ' HG ' ' CD2' ' C' ' 127' ' ' TYR . 0.1 OUTLIER -70.13 -39.69 75.28 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.669 0.747 . . . . 0.0 111.854 172.456 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.427 ' HB ' HG13 ' C' ' 49' ' ' ILE . 0.9 OUTLIER -144.36 136.14 21.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.178 1.391 . . . . 0.0 107.423 -178.193 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -144.34 148.03 34.23 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.59 165.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -161.0 155.25 23.0 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.239 0.962 . . . . 0.0 111.195 173.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.23 127.84 33.8 Favored 'General case' 0 C--O 1.254 1.329 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.32 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 28' ' ' ALA . . . . . 0.457 ' HB3' HG23 ' C' ' 47' ' ' VAL . . . -166.19 147.75 6.74 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.057 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.83 25.13 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 108.299 -1.92 . . . . 0.0 108.299 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -179.19 3.77 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 31' ' ' MET . . . . . 0.794 ' CE ' HG22 ' C' ' 38' ' ' VAL . 0.0 OUTLIER -137.17 161.03 37.27 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 174.662 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 32' ' ' SER . . . . . 0.577 ' N ' ' SD ' ' C' ' 31' ' ' MET . 4.7 t -136.64 156.52 48.44 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.039 -1.464 . . . . 0.0 108.773 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.67 116.17 28.77 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 177.285 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -112.35 115.85 29.41 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 172.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.03 14.52 18.39 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.928 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -111.99 122.45 47.8 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -172.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.794 HG22 ' CE ' ' C' ' 31' ' ' MET . 0.9 OUTLIER -76.04 120.02 25.18 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 174.691 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 41.7 p -124.08 119.39 26.55 Favored Pre-proline 0 C--O 1.244 0.815 0 C-N-CA 122.558 0.343 . . . . 0.0 110.165 -173.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -59.96 134.85 59.19 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 CA-C-O 122.35 0.896 . . . . 0.0 111.792 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.74 132.15 34.19 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.92 -11.3 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.313 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -67.01 144.43 56.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -173.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -68.13 125.57 26.8 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 171.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.18 21.61 Favored Glycine 0 C--N 1.316 -0.563 0 CA-C-O 123.169 1.427 . . . . 0.0 115.359 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 11.9 mt -128.39 124.46 36.37 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' C' ' 28' ' ' ALA . 94.5 t -90.93 137.48 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 164.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -151.91 157.75 42.24 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.964 0.888 . . . . 0.0 113.045 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.593 ' HB ' ' HD1' ' C' ' 127' ' ' TYR . 0.7 OUTLIER -118.79 131.1 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 113.575 -1.648 . . . . 0.0 108.33 174.864 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.64 44.81 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.332 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 51' ' ' GLN . . . . . 0.518 ' CB ' ' OH ' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -100.14 122.06 42.39 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 170.277 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 62.9 p -84.03 171.16 13.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.33 177.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.62 -10.39 59.7 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.659 -0.816 . . . . 0.0 113.187 -170.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -82.67 7.39 14.94 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.264 -0.174 . . . . 0.0 110.974 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.8 -1.26 3.12 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.474 1.509 . . . . 0.0 114.809 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.89 149.97 39.33 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.204 -0.999 . . . . 0.0 113.087 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.448 HG23 ' CZ ' ' C' ' 127' ' ' TYR . 7.1 mm -102.27 129.18 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.077 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 9.9 m80 -117.7 125.39 50.59 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -176.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 59' ' ' PHE . . . . . 0.443 ' CE2' HD12 ' C' ' 96' ' ' LEU . 25.8 t80 -98.87 118.97 36.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 171.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 60' ' ' CYS . . . . . 0.625 ' C ' ' CD1' ' C' ' 61' ' ' TRP . 2.7 m -127.65 156.89 41.61 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -171.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 61' ' ' TRP . . . . . 0.625 ' CD1' ' C ' ' C' ' 60' ' ' CYS . 0.0 OUTLIER -130.57 128.31 40.82 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 113.533 -1.667 . . . . 0.0 108.646 169.298 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -120.65 134.29 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.775 -176.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -74.22 115.39 13.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -64.08 -32.42 73.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 72.2 p -72.43 -46.23 55.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -175.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 28.6 t -91.44 -20.46 21.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.598 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.74 60.9 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.713 -0.493 . . . . 0.0 113.723 -171.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.47 129.99 39.63 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.656 1.228 . . . . 0.0 113.136 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 69' ' ' VAL . . . . . 0.401 HG12 ' H ' ' C' ' 69' ' ' VAL . 0.9 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.403 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -94.49 -28.9 15.21 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.924 -171.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 71' ' ' ASP . . . . . 0.606 ' HB3' ' CD2' ' C' ' 61' ' ' TRP . 7.4 t70 -121.99 135.55 54.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.837 0.827 . . . . 0.0 109.407 177.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -154.98 103.34 2.39 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 mt -118.05 123.23 45.14 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.295 -174.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 21.4 pt -75.87 124.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.391 1.091 . . . . 0.0 111.661 168.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.776 ' HB ' HD23 ' C' ' 128' ' ' LEU . 0.5 OUTLIER -122.97 130.35 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.615 -174.399 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -101.27 158.97 30.78 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.493 1.121 . . . . 0.0 110.89 173.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.22 133.91 58.01 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.962 2.441 . . . . 0.0 111.287 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.41 6.84 5.91 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -175.708 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.36 -33.64 71.69 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.061 0.846 . . . . 0.0 109.633 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.426 ' HA ' ' HG2' ' C' ' 99' ' ' LYS . 0.6 OUTLIER -154.91 168.16 27.87 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 118.489 -1.284 . . . . 0.0 113.699 -173.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 81' ' ' GLU . . . . . 0.456 ' HB2' ' HD2' ' C' ' 99' ' ' LYS . 9.0 tp10 -133.45 139.36 46.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.961 -178.11 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.438 ' HB3' ' CE1' ' C' ' 94' ' ' TYR . 1.4 m-85 -106.77 124.23 49.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 156.44 42.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -67.78 142.81 56.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.416 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 85' ' ' VAL . . . . . 0.708 ' HB ' HG13 ' C' ' 93' ' ' VAL . 3.5 t -94.17 98.25 2.77 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 171.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -60.97 -31.92 91.89 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 N-CA-C 117.809 2.196 . . . . 0.0 117.809 -167.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -91.14 8.61 34.77 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 117.875 -1.53 . . . . 0.0 112.195 -164.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 88' ' ' CYS . . . . . 0.544 ' HB2' HG11 ' C' ' 93' ' ' VAL . 10.7 t -85.1 119.63 72.68 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.83 -19.95 33.67 Favored 'Trans proline' 0 C--N 1.346 0.395 0 O-C-N 123.049 1.026 . . . . 0.0 114.462 -173.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -65.51 -34.61 78.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.364 0.529 . . . . 0.0 110.073 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.04 64.88 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.563 -172.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -121.06 17.16 11.66 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 93' ' ' VAL . . . . . 0.708 HG13 ' HB ' ' C' ' 85' ' ' VAL . 2.5 p -97.08 133.48 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.224 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 173.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 94' ' ' TYR . . . . . 0.774 ' OH ' ' HB2' ' C' ' 96' ' ' LEU . 0.0 OUTLIER -125.09 151.74 45.28 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.56 1.788 . . . . 0.0 110.412 178.638 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 95' ' ' VAL . . . . . 0.648 ' N ' ' CD1' ' C' ' 94' ' ' TYR . 0.8 OUTLIER -126.95 135.28 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.225 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 96' ' ' LEU . . . . . 0.774 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 6.3 tt -95.34 108.22 20.38 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 169.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 97' ' ' LYS . . . . . 0.626 ' O ' ' HE3' ' C' ' 99' ' ' LYS . 7.7 mttt -109.3 125.19 52.05 Favored 'General case' 0 CA--C 1.484 -1.587 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -84.77 115.61 22.8 Favored 'General case' 0 C--O 1.241 0.646 0 O-C-N 124.011 0.819 . . . . 0.0 109.283 176.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 99' ' ' LYS . . . . . 0.626 ' HE3' ' O ' ' C' ' 97' ' ' LYS . 1.6 mmpt? -63.41 -25.13 68.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.395 -169.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.26 115.11 28.79 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 101' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.96 172.37 27.64 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -172.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 25.5 t -91.46 9.2 32.86 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.067 -0.667 . . . . 0.0 110.563 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -70.68 129.21 38.54 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.868 -1.533 . . . . 0.0 110.656 -165.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 104' ' ' ARG . . . . . 0.492 ' C ' HD22 ' C' ' 105' ' ' LEU . 0.0 OUTLIER -135.1 141.7 46.09 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.929 175.859 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 105' ' ' LEU . . . . . 0.492 HD22 ' C ' ' C' ' 104' ' ' ARG . 3.0 mm? -124.46 126.22 45.55 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 171.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 106' ' ' PHE . . . . . 0.748 ' HB2' ' HG2' ' C' ' 31' ' ' MET . 0.9 OUTLIER -100.89 143.69 30.74 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.76 1.287 . . . . 0.0 110.339 -177.55 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 107' ' ' PHE . . . . . 0.648 ' CD1' ' CE2' ' C' ' 94' ' ' TYR . 4.2 m-85 -137.09 156.72 48.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.307 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -131.47 126.53 35.27 Favored 'General case' 0 N--CA 1.419 -1.995 0 C-N-CA 119.586 -0.846 . . . . 0.0 110.4 175.097 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 18.2 mmt -62.66 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.205 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.92 3.98 11.49 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.64 -1.163 . . . . 0.0 110.315 179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.24 135.91 93.79 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.118 1.437 . . . . 0.0 108.71 172.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.34 -41.36 42.19 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.58 -1.147 . . . . 0.0 112.33 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.12 146.93 24.25 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.459 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.3 m -83.48 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.125 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.62 -33.81 56.33 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -169.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.2 5.93 37.98 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -174.809 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -57.0 -48.77 77.67 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.225 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.78 -32.29 70.69 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.313 -0.955 . . . . 0.0 110.56 -173.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.23 -44.03 80.51 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -55.62 -45.83 77.46 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.025 -1.047 . . . . 0.0 112.322 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 121' ' ' CYS . . . . . 0.807 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 1.2 m -60.63 -43.07 97.94 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.689 0.756 . . . . 0.0 110.326 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.48 98.77 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.129 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -64.22 -42.38 96.6 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 124' ' ' VAL . . . . . 0.807 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 6.1 m -52.27 -51.9 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.457 175.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 125' ' ' ASN . . . . . 0.42 ' N ' HG23 ' C' ' 124' ' ' VAL . 0.5 OUTLIER -60.33 -39.49 87.24 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.771 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.29 -46.1 81.77 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.373 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 127' ' ' TYR . . . . . 0.593 ' HD1' ' HB ' ' C' ' 49' ' ' ILE . 11.4 t80 -79.04 -24.47 43.58 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.421 -0.912 . . . . 0.0 112.35 -174.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 1.026 HD22 ' O ' ' C' ' 128' ' ' LEU . 0.0 OUTLIER -78.97 -36.09 41.99 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.317 174.462 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 129' ' ' ASN . . . . . 0.839 ' N ' HD13 ' C' ' 128' ' ' LEU . 0.0 OUTLIER -110.8 -11.09 14.42 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -168.573 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -141.17 71.87 27.4 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 169.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.05 168.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.635 1.557 . . . . 0.0 111.584 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo . . . . . 0 C--N 1.29 -2.534 0 C-N-CA 122.566 2.177 . . . . 0.0 111.625 179.644 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 CA--C 1.549 0.92 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -91.05 138.16 31.81 Favored 'General case' 0 C--O 1.264 1.829 0 O-C-N 126.923 2.64 . . . . 0.0 108.933 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.793 HD11 HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -131.19 163.08 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 173.466 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.525 ' N ' HG23 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -115.95 140.25 49.43 Favored 'General case' 0 N--CA 1.515 2.779 1 O-C-N 130.671 4.982 . . . . 0.0 108.726 179.623 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.9 t -118.1 114.21 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.594 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 127.59 41.34 Favored 'General case' 0 N--CA 1.507 2.388 1 O-C-N 129.358 4.161 . . . . 0.0 107.925 -178.121 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 11' ' ' LYS . 9.0 t -99.61 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.85 -1.072 . . . . 0.0 109.402 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mt -73.41 -7.04 50.04 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.084 0.865 . . . . 0.0 112.638 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.56 ' H ' HG23 ' A' ' 7' ' ' THR . 0.8 OUTLIER -101.53 15.19 29.67 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.675 -2.41 . . . . 0.0 112.013 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.77 80.23 Favored Glycine 0 C--N 1.298 -1.562 0 O-C-N 120.262 -1.524 . . . . 0.0 116.098 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.669 ' O ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -96.55 138.06 34.69 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 174.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -119.95 131.64 55.25 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.655 2.472 . . . . 0.0 105.964 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.55 141.98 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 127.546 3.029 . . . . 0.0 108.912 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 t -101.49 139.8 36.65 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 117.114 -1.835 . . . . 0.0 108.118 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.79 HD12 ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -126.51 154.01 44.37 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 115.392 -2.242 . . . . 0.0 108.261 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -111.88 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.952 1 O-C-N 129.286 4.116 . . . . 0.0 103.687 173.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -138.94 170.61 15.98 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 O-C-N 127.614 3.071 . . . . 0.0 111.267 -177.873 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 17' ' ' VAL . 8.1 mm-40 -119.91 144.51 37.57 Favored Pre-proline 0 C--N 1.315 -0.93 0 CA-C-N 112.4 -2.182 . . . . 0.0 106.371 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -54.98 -24.37 39.3 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.6 2.2 . . . . 0.0 111.968 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -8.18 59.19 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.931 -177.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.0 148.35 47.72 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 117.404 -1.718 . . . . 0.0 109.851 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.66 160.47 21.34 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 175.752 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.655 HD13 ' O ' ' A' ' 51' ' ' GLU . 1.8 mt -61.42 -37.05 76.84 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 O-C-N 127.158 2.786 . . . . 0.0 110.224 175.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -40.15 78.49 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.273 -0.892 . . . . 0.0 110.729 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.34 -41.9 80.07 Favored 'General case' 0 C--O 1.262 1.724 0 O-C-N 121.955 -0.466 . . . . 0.0 110.964 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -46.4 88.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 124.445 1.091 . . . . 0.0 109.234 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -60.9 -37.87 83.73 Favored 'General case' 0 C--O 1.258 1.503 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.711 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.02 86.93 Favored 'General case' 0 C--O 1.278 2.555 0 CA-C-N 118.14 0.427 . . . . 0.0 111.107 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.79 ' HG2' HD12 ' A' ' 15' ' ' LEU . 3.8 tptt -64.22 -37.37 87.21 Favored 'General case' 0 C--O 1.254 1.321 0 O-C-N 120.391 -1.443 . . . . 0.0 110.738 176.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.9 mt -70.07 -39.54 77.33 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -48.74 78.65 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 125.524 2.583 . . . . 0.0 109.13 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -41.79 65.6 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 113.461 -1.699 . . . . 0.0 111.881 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 22.6 tttm -93.65 -24.14 17.99 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -175.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -123.43 -6.47 8.17 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.072 2.669 . . . . 0.0 114.258 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.61 90.01 Favored Glycine 0 CA--C 1.478 -2.264 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.483 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 31.7 mm -79.78 124.74 83.28 Favored Pre-proline 0 C--O 1.244 0.768 0 C-N-CA 118.839 -1.144 . . . . 0.0 110.93 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.6 Cg_exo -56.96 136.8 78.78 Favored 'Trans proline' 0 C--O 1.259 1.528 0 C-N-CA 123.208 2.605 . . . . 0.0 110.846 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -57.09 -31.94 91.82 Favored 'Trans proline' 0 C--O 1.262 1.709 0 O-C-N 122.975 0.987 . . . . 0.0 113.674 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.39 -15.41 63.54 Favored 'General case' 0 C--O 1.263 1.784 0 O-C-N 119.938 -1.726 . . . . 0.0 112.263 -177.495 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -96.01 -10.23 29.06 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 120.544 -1.348 . . . . 0.0 112.064 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -84.85 129.61 34.79 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 124.39 2.043 . . . . 0.0 115.745 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.08 116.08 24.34 Favored 'General case' 0 C--O 1.299 3.663 0 N-CA-C 104.998 -2.223 . . . . 0.0 104.998 171.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.57 130.18 50.93 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 119.436 1.016 . . . . 0.0 109.883 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.497 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -122.02 131.87 72.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.125 1.516 . . . . 0.0 111.877 -177.559 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -144.38 129.55 18.67 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 46.05 19.82 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 112.207 -2.269 . . . . 0.0 110.746 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.72 60.99 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.614 3.007 . . . . 0.0 117.468 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.12 142.8 46.15 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 177.693 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.82 130.3 34.59 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 103.795 -2.668 . . . . 0.0 103.795 174.599 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HB3' HG12 ' A' ' 23' ' ' ILE . 3.8 mt -79.53 138.09 37.39 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.213 -175.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.655 ' O ' HD13 ' A' ' 23' ' ' ILE . 52.3 mm-40 -101.74 140.05 36.56 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 125.16 1.537 . . . . 0.0 109.907 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -47.92 -42.52 27.41 Favored 'General case' 0 C--O 1.263 1.802 0 N-CA-C 120.762 3.616 . . . . 0.0 120.762 -175.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.65 -8.99 85.3 Favored Glycine 0 CA--C 1.491 -1.44 0 N-CA-C 116.183 1.233 . . . . 0.0 116.183 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.428 ' O ' HD12 ' A' ' 23' ' ' ILE . 3.1 mmt85 -85.37 165.42 17.25 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.751 -2.029 . . . . 0.0 108.007 176.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 29.2 p -104.54 164.91 11.42 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 177.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -36.09 79.67 Favored 'General case' 0 C--O 1.202 -1.435 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -29.55 70.68 Favored 'General case' 0 C--O 1.267 1.992 0 C-N-CA 117.366 -1.734 . . . . 0.0 112.197 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -55.52 -39.56 70.67 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 122.416 1.103 . . . . 0.0 110.698 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -90.74 4.55 51.27 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 117.712 -1.137 . . . . 0.0 113.011 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 58.11 45.25 17.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 121.596 1.998 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.793 HG22 HD11 ' A' ' 3' ' ' ILE . 7.9 mt -88.79 116.64 30.76 Favored 'Isoleucine or valine' 0 C--O 1.266 1.935 0 CA-C-O 115.185 -2.341 . . . . 0.0 106.144 175.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -103.61 169.66 8.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 126.148 2.155 . . . . 0.0 109.381 -176.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.93 27.66 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.238 1.494 . . . . 0.0 109.014 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.09 19.06 10.51 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 117.963 2.579 . . . . 0.0 117.963 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m -71.13 159.6 34.39 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 174.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.474 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.9 OUTLIER -119.14 126.75 52.33 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 118.128 -0.939 . . . . 0.0 108.836 175.795 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -103.2 154.62 19.14 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.821 -2.514 . . . . 0.0 105.62 175.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.408 ' O ' HG23 ' A' ' 44' ' ' ILE . 7.7 t60 -105.66 135.73 46.54 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 127.385 2.928 . . . . 0.0 105.833 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.86 115.74 30.71 Favored 'General case' 0 C--O 1.286 2.992 0 CA-C-O 117.641 -1.171 . . . . 0.0 111.496 176.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.8 t -108.08 139.94 28.39 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.07 138.85 33.1 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.309 0.576 . . . . 0.0 109.824 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? . . . . . 0 C--N 1.279 -2.494 0 CA-C-O 113.134 -3.317 . . . . 0.0 105.625 178.552 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -90.9 138.42 31.61 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 127.102 2.751 . . . . 0.0 108.828 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -131.09 163.09 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 CA-C-O 115.787 -2.054 . . . . 0.0 105.92 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -115.94 140.11 49.57 Favored 'General case' 0 N--CA 1.515 2.811 1 O-C-N 130.65 4.969 . . . . 0.0 108.58 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.1 t -117.9 114.11 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 CA-C-O 113.364 -3.207 . . . . 0.0 105.864 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.16 127.61 41.34 Favored 'General case' 0 N--CA 1.503 2.178 1 O-C-N 129.26 4.1 . . . . 0.0 108.13 -178.054 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.57 170.9 8.27 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.267 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.566 HD21 ' HA ' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -73.4 -6.99 49.76 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 124.12 0.887 . . . . 0.0 112.895 -178.306 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -101.2 14.71 31.1 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 115.693 -2.403 . . . . 0.0 111.924 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.51 16.72 79.99 Favored Glycine 0 C--N 1.295 -1.708 0 O-C-N 120.235 -1.541 . . . . 0.0 116.01 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -96.34 137.96 34.65 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.91 132.01 55.4 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 126.439 2.337 . . . . 0.0 106.154 176.136 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.408 HD13 HG21 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -109.54 141.79 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 127.764 3.165 . . . . 0.0 109.113 179.764 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -101.21 139.85 36.32 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 117.026 -1.869 . . . . 0.0 108.37 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -126.46 154.14 44.11 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 115.554 -2.165 . . . . 0.0 108.354 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -111.86 121.17 44.33 Favored 'General case' 0 N--CA 1.496 1.858 1 O-C-N 129.196 4.06 . . . . 0.0 103.511 174.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.4 m -139.07 170.69 15.74 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 O-C-N 127.815 3.197 . . . . 0.0 111.184 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.1 144.64 38.19 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.05 -2.341 . . . . 0.0 106.332 174.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.0 -24.75 41.2 Favored 'Trans proline' 0 C--N 1.317 -1.11 0 C-N-CA 122.636 2.224 . . . . 0.0 111.52 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 25.1 t -79.87 -8.07 59.09 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.91 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -71.05 148.52 47.47 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 117.366 -1.734 . . . . 0.0 109.707 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.8 160.58 21.18 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 175.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.662 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.4 mp -61.45 -36.87 75.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 O-C-N 126.925 2.641 . . . . 0.0 110.462 175.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.11 -42.83 77.46 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.468 -1.395 . . . . 0.0 111.017 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.61 -44.49 90.41 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 124.224 1.009 . . . . 0.0 111.329 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -58.69 -46.16 90.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 124.831 1.332 . . . . 0.0 108.945 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -60.81 -37.92 83.63 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.856 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.07 86.91 Favored 'General case' 0 C--O 1.278 2.555 0 O-C-N 123.365 0.416 . . . . 0.0 111.302 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -64.01 -37.38 87.21 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 120.485 -1.384 . . . . 0.0 110.843 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.72 -39.77 78.42 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -61.94 -48.77 78.92 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.614 2.626 . . . . 0.0 109.044 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -41.71 66.59 Favored 'General case' 0 C--O 1.257 1.452 0 CA-C-N 113.613 -1.631 . . . . 0.0 111.866 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 21.5 tttt -93.35 -24.43 18.1 Favored 'General case' 0 C--O 1.28 2.684 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -175.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.65 -6.24 8.06 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 122.986 2.63 . . . . 0.0 113.8 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.58 90.06 Favored Glycine 0 CA--C 1.476 -2.391 0 N-CA-C 118.817 2.287 . . . . 0.0 118.817 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.629 HG23 ' CD ' ' B' ' 40' ' ' GLN . 1.3 mp -79.83 125.09 82.88 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 118.674 -1.21 . . . . 0.0 111.016 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.517 ' HD2' ' NE2' ' B' ' 40' ' ' GLN . 82.8 Cg_exo -57.23 137.07 80.06 Favored 'Trans proline' 0 C--O 1.255 1.371 0 C-N-CA 122.959 2.439 . . . . 0.0 110.86 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.4 Cg_exo -57.27 -32.21 93.03 Favored 'Trans proline' 0 C--O 1.262 1.69 0 O-C-N 123.056 1.029 . . . . 0.0 113.343 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -68.29 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 120.002 -1.686 . . . . 0.0 112.244 -177.526 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.643 ' HB2' HD21 ' B' ' 71' ' ' LEU . 0.7 OUTLIER -95.54 -10.56 29.32 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.571 -1.331 . . . . 0.0 112.305 178.399 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -84.92 129.69 34.76 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 124.259 1.98 . . . . 0.0 115.763 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.608 ' HB3' HG13 ' B' ' 70' ' ' VAL . 3.9 tpm_? -121.17 116.26 24.61 Favored 'General case' 0 C--O 1.298 3.657 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 172.206 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.67 130.25 51.12 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 119.432 1.015 . . . . 0.0 110.077 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.409 HD11 ' O ' ' C' ' 99' ' ' LYS . 1.8 mm -122.02 131.53 72.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 O-C-N 125.088 1.493 . . . . 0.0 112.002 -177.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.439 ' CD2' HD12 ' B' ' 67' ' ' LEU . 16.2 t80 -144.18 129.78 19.1 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 45.91 19.8 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 112.052 -2.34 . . . . 0.0 110.719 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.93 20.19 59.73 Favored Glycine 0 C--N 1.3 -1.456 0 C-N-CA 128.249 2.833 . . . . 0.0 117.315 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -109.87 143.86 39.18 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 115.425 -2.226 . . . . 0.0 110.877 174.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' B' ' 50' ' ' LEU . 0.8 OUTLIER -87.18 130.32 34.59 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 104.045 -2.576 . . . . 0.0 104.045 173.238 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.427 ' O ' ' NE2' ' B' ' 49' ' ' GLN . 7.0 mt -79.54 138.4 37.48 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 117.602 -1.189 . . . . 0.0 110.11 -175.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.662 ' O ' HD13 ' B' ' 23' ' ' ILE . 4.8 tt0 -101.89 139.98 36.79 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 125.261 1.6 . . . . 0.0 109.948 -177.632 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -42.04 29.24 Favored 'General case' 0 C--O 1.263 1.781 0 N-CA-C 120.768 3.618 . . . . 0.0 120.768 -175.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.19 -8.56 85.25 Favored Glycine 0 CA--C 1.492 -1.352 0 N-CA-C 116.019 1.168 . . . . 0.0 116.019 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.579 ' O ' HD12 ' B' ' 23' ' ' ILE . 2.6 mmt85 -85.68 165.24 17.14 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.091 -1.829 . . . . 0.0 107.932 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.2 p -104.27 164.49 11.69 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 176.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.09 -36.4 79.58 Favored 'General case' 0 C--O 1.2 -1.501 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -63.59 -29.81 71.01 Favored 'General case' 0 C--O 1.266 1.962 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.265 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.55 -39.17 70.25 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.633 1.206 . . . . 0.0 110.824 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -91.05 4.5 51.95 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 117.598 -1.192 . . . . 0.0 112.92 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 t30 57.97 45.37 18.22 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 121.673 2.033 . . . . 0.0 111.232 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -88.75 116.26 30.09 Favored 'Isoleucine or valine' 0 C--O 1.27 2.152 0 CA-C-O 115.063 -2.399 . . . . 0.0 106.237 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.39 169.54 8.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 126.106 2.129 . . . . 0.0 109.768 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -54.91 142.95 27.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 123.221 1.486 . . . . 0.0 109.249 -176.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 67.04 19.08 10.56 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.03 159.56 34.52 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.9 m -118.97 126.6 52.13 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 118.229 -0.891 . . . . 0.0 108.817 175.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.439 HD12 ' CD2' ' B' ' 45' ' ' PHE . 5.4 mp -103.2 154.55 19.21 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 114.69 -2.576 . . . . 0.0 105.721 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -105.66 135.71 46.59 Favored 'General case' 0 C--N 1.283 -2.313 0 O-C-N 127.54 3.025 . . . . 0.0 105.677 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.11 115.85 30.89 Favored 'General case' 0 C--O 1.284 2.887 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.428 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.608 HG13 ' HB3' ' B' ' 42' ' ' ARG . 0.2 OUTLIER -108.12 140.0 28.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 103.404 -2.813 . . . . 0.0 103.404 175.264 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.649 ' C ' HD23 ' B' ' 71' ' ' LEU . 3.3 tt -96.15 -83.61 0.37 Allowed 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.132 0.492 . . . . 0.0 109.743 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.542 0 CA-C-O 113.473 -3.156 . . . . 0.0 105.43 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.601 0.715 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -89.02 137.86 31.93 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.591 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' C' ' 127' ' ' TYR . 4.6 mt -70.18 -39.6 75.15 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.646 0.736 . . . . 0.0 111.833 172.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 t -144.34 136.07 21.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.246 1.418 . . . . 0.0 107.483 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.36 148.0 34.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.527 165.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -161.01 155.2 22.89 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.296 0.997 . . . . 0.0 111.213 173.098 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -72.21 127.79 33.66 Favored 'General case' 0 C--O 1.254 1.329 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.365 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.15 147.66 6.77 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.126 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.97 164.82 25.16 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 -179.16 3.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 31' ' ' MET . . . . . 0.727 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.1 mpt? -137.15 161.08 37.13 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -136.68 156.58 48.35 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 118.045 -1.462 . . . . 0.0 108.773 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.24 -116.0 8.56 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.06 14.57 18.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.394 -0.403 . . . . 0.0 109.914 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 54.5 m -112.05 122.53 48.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 12.9 t -76.13 120.06 25.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.13 119.37 26.49 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.147 -173.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 40' ' ' PRO . . . . . 0.727 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 31.8 Cg_exo -59.92 134.79 58.95 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 117.937 -0.909 . . . . 0.0 111.907 173.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -85.7 132.2 34.19 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 172.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -11.33 59.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -172.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -67.0 144.44 56.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -173.073 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 125.58 26.83 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 171.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 45' ' ' GLY . . . . . 0.447 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.34 171.24 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.205 1.447 . . . . 0.0 115.321 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.43 124.4 36.14 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 175.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 t -91.04 137.56 21.48 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.095 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 164.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -151.88 157.84 42.4 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 122.025 0.917 . . . . 0.0 113.009 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 16.2 mt -118.87 131.01 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.396 174.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.97 137.6 44.91 Favored 'General case' 0 CA--C 1.495 -1.137 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -178.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -100.18 122.04 42.38 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 170.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 8.7 p -84.05 171.11 13.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.235 0.54 . . . . 0.0 111.314 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -71.46 -10.54 59.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -170.29 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -82.68 7.41 14.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.43 0.157 . . . . 0.0 110.99 171.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p 73.83 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.483 1.513 . . . . 0.0 114.684 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 56' ' ' LEU . . . . . 0.702 ' HB3' HD13 ' C' ' 74' ' ' ILE . 17.6 mt -74.89 149.9 39.35 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 119.216 -0.994 . . . . 0.0 113.107 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.58 ' O ' HD12 ' C' ' 74' ' ' ILE . 5.8 mm -102.2 129.08 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.122 -177.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.59 125.3 50.54 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -176.515 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -98.8 118.95 36.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 171.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 92.9 m -127.59 156.84 41.62 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 113.577 0.955 . . . . 0.0 113.577 -171.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 61' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.53 128.32 40.9 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.668 169.241 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.66 134.34 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.745 -176.313 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -74.23 115.27 13.54 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -63.96 -32.46 74.0 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -176.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -46.26 55.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -175.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.37 -20.52 21.74 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.536 -176.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.57 2.65 60.71 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.721 -0.489 . . . . 0.0 113.74 -171.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -72.44 130.0 39.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.734 1.267 . . . . 0.0 113.195 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 99.4 t -84.17 109.11 17.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -94.45 -28.91 15.23 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.736 -0.786 . . . . 0.0 111.01 -171.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.02 135.53 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.877 0.846 . . . . 0.0 109.386 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.96 103.38 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.11 123.26 45.15 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.282 -174.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 74' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' C' ' 56' ' ' LEU . 1.3 tp -75.83 124.29 33.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.441 1.115 . . . . 0.0 111.694 168.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.614 HG21 ' HG ' ' C' ' 128' ' ' LEU . 1.0 OUTLIER -122.93 130.33 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.365 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.641 -174.409 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.29 158.99 30.73 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.441 1.088 . . . . 0.0 110.89 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.22 133.85 57.69 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.91 2.407 . . . . 0.0 111.334 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.43 6.91 5.94 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 79' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 44' ' ' ILE . 1.2 m-20 -70.45 -33.61 71.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.028 0.831 . . . . 0.0 109.563 176.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 23.3 p -154.88 168.16 27.85 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.54 -1.264 . . . . 0.0 113.699 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -133.49 139.29 46.58 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.954 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -106.67 124.21 49.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.6 156.39 42.34 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -177.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -67.67 142.87 56.23 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.416 177.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 77.0 t -94.37 98.37 2.94 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 171.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -61.04 -31.88 91.47 Favored 'Trans proline' 0 N--CA 1.476 0.49 0 N-CA-C 117.853 2.213 . . . . 0.0 117.853 -167.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -91.12 8.6 34.8 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.933 -1.507 . . . . 0.0 112.203 -164.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 24.2 m -85.07 119.62 72.7 Favored Pre-proline 0 CA--C 1.516 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.94 -19.85 33.95 Favored 'Trans proline' 0 C--N 1.347 0.462 0 O-C-N 123.01 1.005 . . . . 0.0 114.451 -173.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 85.7 p -65.53 -34.62 78.68 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.394 0.543 . . . . 0.0 110.07 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.0 64.83 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.563 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -120.98 17.08 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -96.92 133.42 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 173.546 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -125.03 151.8 45.11 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 125.56 1.788 . . . . 0.0 110.381 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.08 135.4 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -95.44 108.1 20.29 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 169.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.2 125.19 51.96 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -171.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.81 115.68 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.182 0.926 . . . . 0.0 109.205 176.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 99' ' ' LYS . . . . . 0.409 ' O ' HD11 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.39 -25.21 68.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.371 -169.61 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.23 115.17 28.91 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 101' ' ' GLY . . . . . 0.475 ' H ' HG21 ' B' ' 70' ' ' VAL . . . 101.86 172.46 27.78 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -172.754 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.3 p -91.37 8.94 33.73 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.99 -0.712 . . . . 0.0 110.55 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -70.66 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.01 141.83 46.29 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.946 175.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.62 126.2 45.38 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 171.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 106' ' ' PHE . . . . . 0.427 ' CB ' ' SD ' ' C' ' 31' ' ' MET . 75.4 m-85 -100.92 143.74 30.71 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 124.698 1.249 . . . . 0.0 110.301 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -137.12 156.69 48.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.203 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.4 126.58 35.52 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.41 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.58 137.72 58.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.259 -174.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -118.86 3.99 11.53 Favored 'General case' 0 N--CA 1.429 -1.519 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.289 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -61.22 135.88 93.74 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.128 1.442 . . . . 0.0 108.655 172.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -61.28 -41.33 42.87 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.604 -1.13 . . . . 0.0 112.466 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -96.18 146.96 24.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.475 173.652 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.0 t -83.47 -9.28 59.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.131 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.53 -33.82 55.92 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 5.99 37.78 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -174.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -56.96 -48.78 77.53 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 118.955 -1.098 . . . . 0.0 110.327 -177.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -69.76 -32.25 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.43 -0.908 . . . . 0.0 110.576 -173.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -44.1 79.99 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.923 0.392 . . . . 0.0 110.885 175.509 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -55.49 -45.93 76.98 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.021 -1.05 . . . . 0.0 112.37 173.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.56 -43.1 97.65 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.63 0.729 . . . . 0.0 110.293 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -62.01 -43.37 98.98 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.101 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -42.28 96.49 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 40.8 t -52.27 -51.94 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.448 175.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.33 -39.5 87.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.21 -46.1 82.05 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.51 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 127' ' ' TYR . . . . . 0.496 ' CE1' HD22 ' C' ' 23' ' ' LEU . 41.1 m-85 -78.95 -24.4 43.94 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 119.495 -0.882 . . . . 0.0 112.44 -174.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.614 ' HG ' HG21 ' C' ' 75' ' ' ILE . 7.1 mp -79.09 -36.17 41.2 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 119.782 -0.767 . . . . 0.0 112.245 174.473 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -110.71 -11.11 14.44 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -168.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -141.17 71.95 27.34 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 169.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -81.31 170.43 14.78 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 121.594 1.53 . . . . 0.0 111.624 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo . . . . . 0 C--N 1.29 -2.524 0 C-N-CA 122.431 2.087 . . . . 0.0 111.636 179.866 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtp . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 106.868 -1.531 . . . . 0.0 106.868 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -91.21 138.22 31.76 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 126.875 2.609 . . . . 0.0 108.767 178.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.523 HG23 ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.24 163.01 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.398 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.462 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.523 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -115.91 140.26 49.42 Favored 'General case' 0 N--CA 1.514 2.743 1 O-C-N 130.605 4.941 . . . . 0.0 108.81 179.602 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.11 114.17 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-O 113.399 -3.191 . . . . 0.0 105.601 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.18 127.57 41.33 Favored 'General case' 0 N--CA 1.507 2.379 1 O-C-N 129.371 4.169 . . . . 0.0 107.922 -178.123 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.59 170.82 8.33 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.358 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.422 HD11 HG23 ' A' ' 70' ' ' VAL . 60.9 mt -73.37 -7.01 49.86 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.057 0.848 . . . . 0.0 112.708 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.8 p -101.53 15.12 29.87 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 115.673 -2.411 . . . . 0.0 112.048 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.25 16.72 80.26 Favored Glycine 0 C--N 1.298 -1.567 0 O-C-N 120.222 -1.548 . . . . 0.0 116.146 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.5 138.1 34.59 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 175.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.9 131.72 55.32 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 126.605 2.441 . . . . 0.0 105.895 176.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.451 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -109.59 141.91 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 127.666 3.104 . . . . 0.0 108.851 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 t -101.45 139.65 36.82 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.144 -1.822 . . . . 0.0 108.184 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.34 153.99 44.13 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 115.329 -2.272 . . . . 0.0 108.394 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.82 121.13 44.22 Favored 'General case' 0 N--CA 1.498 1.974 1 O-C-N 129.252 4.095 . . . . 0.0 103.666 173.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.06 170.55 15.94 Favored 'Isoleucine or valine' 0 C--O 1.255 1.379 0 O-C-N 127.568 3.042 . . . . 0.0 111.203 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -119.92 144.49 37.54 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 112.382 -2.19 . . . . 0.0 106.355 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -54.96 -24.31 38.85 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 122.476 2.117 . . . . 0.0 111.973 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 p -80.04 -8.09 59.19 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 117.949 -1.025 . . . . 0.0 110.862 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.08 148.43 47.5 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 117.393 -1.723 . . . . 0.0 109.851 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.76 160.58 21.22 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.82 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 22.7 mm -61.6 -36.95 76.59 Favored 'Isoleucine or valine' 0 C--O 1.246 0.897 0 O-C-N 127.265 2.853 . . . . 0.0 110.244 175.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.56 -40.18 78.34 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.297 -0.877 . . . . 0.0 110.783 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.33 -41.92 80.07 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 121.847 -0.533 . . . . 0.0 110.939 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.2 -46.44 88.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.377 1.048 . . . . 0.0 109.148 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -60.82 -37.91 83.63 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.726 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.95 86.53 Favored 'General case' 0 C--O 1.277 2.538 0 CA-C-N 118.088 0.404 . . . . 0.0 111.104 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -37.55 87.84 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 120.375 -1.453 . . . . 0.0 110.716 175.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.7 mt -69.94 -39.57 77.67 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -48.76 78.54 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 125.551 2.596 . . . . 0.0 109.112 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -41.75 65.32 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 113.46 -1.7 . . . . 0.0 111.987 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.451 ' HD3' HD12 ' A' ' 13' ' ' ILE 0.315 0.8 OUTLIER -93.65 -24.25 17.96 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.172 2.286 . . . . 0.0 117.172 -175.857 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -123.42 -6.42 8.18 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 123.082 2.674 . . . . 0.0 114.209 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.06 5.72 89.94 Favored Glycine 0 CA--C 1.478 -2.236 0 N-CA-C 118.87 2.308 . . . . 0.0 118.87 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.486 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 3.3 mt -79.84 124.66 83.21 Favored Pre-proline 0 C--O 1.244 0.77 0 C-N-CA 118.93 -1.108 . . . . 0.0 110.947 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.7 Cg_exo -56.9 136.75 78.38 Favored 'Trans proline' 0 C--O 1.259 1.525 0 C-N-CA 123.369 2.713 . . . . 0.0 110.809 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -57.1 -31.95 91.84 Favored 'Trans proline' 0 C--O 1.263 1.729 0 O-C-N 123.013 1.007 . . . . 0.0 113.686 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.44 -15.33 63.51 Favored 'General case' 0 C--O 1.261 1.698 0 O-C-N 119.828 -1.795 . . . . 0.0 112.288 -177.512 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -96.08 -10.08 29.26 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 120.566 -1.334 . . . . 0.0 111.987 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -84.99 129.64 34.76 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.429 2.061 . . . . 0.0 115.735 -177.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.463 ' HB2' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -121.15 116.06 24.24 Favored 'General case' 0 C--O 1.3 3.744 0 N-CA-C 104.943 -2.243 . . . . 0.0 104.943 172.041 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -103.51 130.21 50.84 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 119.545 1.066 . . . . 0.0 109.934 -177.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.421 HD11 ' CB ' ' C' ' 76' ' ' PHE . 0.5 OUTLIER -122.07 131.85 72.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 O-C-N 125.13 1.519 . . . . 0.0 111.934 -177.548 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -144.39 129.46 18.57 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.33 46.01 20.28 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.73 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 21.82 60.87 Favored Glycine 0 N--CA 1.431 -1.664 0 C-N-CA 128.729 3.062 . . . . 0.0 117.48 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -115.11 142.73 46.26 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.67 130.3 34.6 Favored 'General case' 0 C--O 1.258 1.504 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.53 138.06 37.38 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 117.728 -1.129 . . . . 0.0 110.201 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -101.69 140.13 36.4 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 125.06 1.475 . . . . 0.0 110.005 -177.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.414 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 23.5 m-20 -48.05 -42.49 28.64 Favored 'General case' 0 C--O 1.263 1.813 0 N-CA-C 120.779 3.622 . . . . 0.0 120.779 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.84 85.5 Favored Glycine 0 CA--C 1.489 -1.543 0 N-CA-C 116.278 1.271 . . . . 0.0 116.278 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.47 165.27 17.29 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 119.808 -1.995 . . . . 0.0 108.08 176.448 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 1.0 OUTLIER -104.46 164.84 11.46 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 177.102 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.451 HD23 HD13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -61.55 -35.97 79.3 Favored 'General case' 0 C--O 1.202 -1.439 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 177.248 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.29 70.37 Favored 'General case' 0 C--O 1.268 2.061 0 C-N-CA 117.222 -1.791 . . . . 0.0 112.154 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.62 -39.47 70.84 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 122.504 1.145 . . . . 0.0 110.678 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -90.85 4.68 51.12 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.974 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m120 58.07 45.24 18.1 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.667 2.03 . . . . 0.0 111.168 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.451 HD13 HD23 ' A' ' 56' ' ' LEU . 22.4 mt -88.75 116.52 30.54 Favored 'Isoleucine or valine' 0 C--O 1.267 1.98 0 CA-C-O 115.182 -2.342 . . . . 0.0 106.192 175.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.54 169.66 8.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 126.051 2.094 . . . . 0.0 109.354 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.83 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 123.199 1.476 . . . . 0.0 109.148 -176.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.557 ' O ' HD12 ' B' ' 8' ' ' LEU . 0.0 OUTLIER 67.02 19.21 10.57 Favored 'General case' 0 C--O 1.254 1.328 0 N-CA-C 118.045 2.609 . . . . 0.0 118.045 179.428 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -71.3 159.53 34.42 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.525 ' OG1' HD22 ' B' ' 8' ' ' LEU . 0.8 OUTLIER -119.12 126.69 52.21 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 118.112 -0.947 . . . . 0.0 108.868 175.832 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.16 154.49 19.25 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 114.813 -2.518 . . . . 0.0 105.657 175.255 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -105.63 135.65 46.65 Favored 'General case' 0 C--N 1.288 -2.105 0 O-C-N 127.334 2.897 . . . . 0.0 105.84 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.82 115.81 30.83 Favored 'General case' 0 C--O 1.285 2.958 0 CA-C-O 117.579 -1.2 . . . . 0.0 111.445 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.463 HG13 ' HB2' ' A' ' 42' ' ' ARG . 3.8 p -108.07 139.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 174.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.3 mt -96.11 138.93 33.02 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.279 0.562 . . . . 0.0 109.816 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 . . . . . 0 C--N 1.279 -2.49 0 CA-C-O 113.187 -3.292 . . . . 0.0 105.502 178.672 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.99 138.39 31.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 127.167 2.792 . . . . 0.0 108.836 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.05 163.07 37.97 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 CA-C-O 115.854 -2.022 . . . . 0.0 105.836 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -115.98 140.13 49.56 Favored 'General case' 0 N--CA 1.513 2.715 1 O-C-N 130.527 4.892 . . . . 0.0 108.652 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -117.96 114.07 44.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-O 113.483 -3.151 . . . . 0.0 105.736 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LYS . . . . . 0.46 ' HZ3' HD23 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -95.06 127.61 41.25 Favored 'General case' 0 N--CA 1.502 2.151 1 O-C-N 129.18 4.05 . . . . 0.0 108.125 -178.141 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.54 170.81 8.34 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.772 -1.109 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -73.47 -6.9 49.35 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.085 0.866 . . . . 0.0 112.789 -178.292 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.25 14.83 30.73 Favored 'General case' 0 N--CA 1.506 2.354 0 C-N-CA 115.731 -2.388 . . . . 0.0 111.963 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.62 80.18 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.196 -1.565 . . . . 0.0 116.13 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -96.25 137.87 34.68 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.8 p -119.9 131.89 55.37 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 126.344 2.277 . . . . 0.0 106.169 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 tp -109.46 141.83 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.797 3.186 . . . . 0.0 109.099 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 p -101.24 139.91 36.26 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 116.893 -1.923 . . . . 0.0 108.4 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.47 154.0 44.32 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 115.503 -2.189 . . . . 0.0 108.485 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -111.83 121.15 44.27 Favored 'General case' 0 N--CA 1.495 1.814 1 O-C-N 129.122 4.014 . . . . 0.0 103.591 174.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.09 170.56 15.9 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 O-C-N 127.731 3.144 . . . . 0.0 111.256 -177.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.1 144.6 38.1 Favored Pre-proline 0 C--N 1.313 -1.018 0 CA-C-N 112.065 -2.334 . . . . 0.0 106.241 174.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 72.5 Cg_exo -54.84 -24.8 40.21 Favored 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 122.635 2.224 . . . . 0.0 111.537 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 43.3 t -79.86 -8.21 59.17 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.102 -0.999 . . . . 0.0 110.91 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.94 148.53 47.61 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.782 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -83.84 160.54 21.15 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 175.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.785 HG12 ' HG ' ' B' ' 50' ' ' LEU . 2.0 mp -61.43 -36.81 75.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 126.888 2.617 . . . . 0.0 110.364 175.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -42.89 77.93 Favored 'General case' 0 C--O 1.251 1.166 0 O-C-N 120.424 -1.423 . . . . 0.0 110.979 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.43 -44.47 91.09 Favored 'General case' 0 C--O 1.251 1.147 0 C-N-CA 124.173 0.989 . . . . 0.0 111.498 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.0 t -58.64 -46.25 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.286 -1.325 . . . . 0.0 108.983 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -60.81 -37.96 83.74 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.882 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.08 87.07 Favored 'General case' 0 C--O 1.278 2.57 0 O-C-N 123.365 0.416 . . . . 0.0 111.354 176.762 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -64.05 -37.4 87.3 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 120.519 -1.363 . . . . 0.0 110.849 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.2 mt -69.69 -39.71 78.42 Favored 'Isoleucine or valine' 0 C--O 1.253 1.261 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -48.84 78.55 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 125.494 2.569 . . . . 0.0 108.96 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.52 -41.69 66.62 Favored 'General case' 0 C--O 1.256 1.423 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.8 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 4.3 mttp -93.42 -24.38 18.07 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 117.164 2.283 . . . . 0.0 117.164 -175.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.58 -6.32 8.09 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 122.939 2.609 . . . . 0.0 113.81 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.04 5.6 90.03 Favored Glycine 0 CA--C 1.476 -2.4 0 N-CA-C 118.718 2.247 . . . . 0.0 118.718 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.494 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 49.0 mt -79.91 125.05 82.8 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 118.736 -1.185 . . . . 0.0 111.035 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.0 Cg_exo -57.17 137.01 79.86 Favored 'Trans proline' 0 C--O 1.257 1.435 0 C-N-CA 122.941 2.427 . . . . 0.0 110.85 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.1 Cg_exo -57.22 -32.22 92.93 Favored 'Trans proline' 0 C--O 1.261 1.67 0 O-C-N 122.979 0.989 . . . . 0.0 113.315 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -68.33 -15.55 63.61 Favored 'General case' 0 C--O 1.264 1.827 0 O-C-N 120.039 -1.663 . . . . 0.0 112.187 -177.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.552 ' CG ' HD21 ' B' ' 71' ' ' LEU . 7.4 mp0 -95.61 -10.47 29.38 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.471 -1.393 . . . . 0.0 112.169 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -84.92 129.66 34.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 124.232 1.967 . . . . 0.0 115.755 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -121.16 116.07 24.26 Favored 'General case' 0 C--O 1.299 3.676 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 172.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.776 ' CB ' HD22 ' B' ' 50' ' ' LEU . 1.6 tp -103.52 130.28 50.87 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 119.536 1.062 . . . . 0.0 109.989 -177.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -121.98 131.56 72.87 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.131 1.52 . . . . 0.0 112.059 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.846 ' HB2' ' CZ ' ' B' ' 59' ' ' TYR . 0.0 OUTLIER -144.21 129.85 19.14 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.436 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ALA . . . . . 0.429 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . . . 48.09 46.0 19.47 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 112.011 -2.359 . . . . 0.0 110.682 177.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.91 20.18 59.66 Favored Glycine 0 C--N 1.299 -1.486 0 C-N-CA 128.233 2.825 . . . . 0.0 117.334 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -109.89 143.86 39.2 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 115.411 -2.233 . . . . 0.0 110.916 174.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.486 ' HB3' ' HB2' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -87.19 130.28 34.62 Favored 'General case' 0 C--N 1.281 -2.394 0 N-CA-C 104.002 -2.592 . . . . 0.0 104.002 173.375 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.91 ' O ' HD23 ' B' ' 50' ' ' LEU . 0.2 OUTLIER -79.57 138.39 37.46 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.028 -175.782 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -101.89 139.95 36.83 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 125.173 1.545 . . . . 0.0 110.02 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -42.13 28.72 Favored 'General case' 0 C--O 1.263 1.79 0 N-CA-C 120.714 3.598 . . . . 0.0 120.714 -175.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.12 -8.66 85.24 Favored Glycine 0 CA--C 1.492 -1.359 0 N-CA-C 116.035 1.174 . . . . 0.0 116.035 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.445 ' O ' ' CD1' ' B' ' 23' ' ' ILE . 0.0 OUTLIER -85.56 165.31 17.18 Favored 'General case' 0 C--O 1.25 1.083 0 O-C-N 120.186 -1.773 . . . . 0.0 107.985 176.454 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 53.1 p -104.32 164.45 11.73 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 176.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.411 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 0.4 OUTLIER -60.99 -36.41 79.38 Favored 'General case' 0 C--O 1.2 -1.505 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 177.2 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.1 p -63.61 -29.76 70.97 Favored 'General case' 0 C--O 1.268 2.07 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.229 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -39.07 70.56 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 122.471 1.129 . . . . 0.0 110.706 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.846 ' CZ ' ' HB2' ' B' ' 45' ' ' PHE . 21.0 t80 -91.08 4.48 52.05 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.914 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 58.04 45.34 18.06 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 121.717 2.053 . . . . 0.0 111.253 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.509 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.0 OUTLIER -88.73 116.26 30.07 Favored 'Isoleucine or valine' 0 C--O 1.271 2.193 0 CA-C-O 115.078 -2.391 . . . . 0.0 106.289 175.848 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.35 169.59 8.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 126.098 2.124 . . . . 0.0 109.704 -176.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -55.05 143.05 28.08 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.23 1.49 . . . . 0.0 109.229 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 67.01 19.07 10.6 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 117.885 2.55 . . . . 0.0 117.885 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.475 ' HB3' HD13 ' B' ' 61' ' ' ILE . 30.8 t -71.11 159.51 34.57 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 174.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -118.97 126.62 52.18 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 118.199 -0.905 . . . . 0.0 108.842 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -103.14 154.52 19.21 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 114.672 -2.585 . . . . 0.0 105.755 175.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.454 ' HA ' ' HG3' ' B' ' 6' ' ' LYS . 1.8 m80 -105.51 135.71 46.42 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 127.588 3.055 . . . . 0.0 105.79 177.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tt -107.01 115.8 30.82 Favored 'General case' 0 C--O 1.284 2.917 0 CA-C-O 117.705 -1.141 . . . . 0.0 111.425 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.1 t -108.13 139.96 28.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.717 0 N-CA-C 103.42 -2.807 . . . . 0.0 103.42 175.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.58 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.9 tt -96.03 -83.5 0.37 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.256 0.551 . . . . 0.0 109.847 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.279 -2.466 0 CA-C-O 113.44 -3.172 . . . . 0.0 105.459 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 121.6 0.714 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -89.08 137.86 31.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.557 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.703 ' HB2' HG23 ' C' ' 49' ' ' ILE . 1.1 mp -70.2 -39.55 75.11 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.669 0.747 . . . . 0.0 111.856 172.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.575 ' HB ' HG22 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.4 136.07 21.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 125.195 1.398 . . . . 0.0 107.433 -178.214 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.35 147.99 34.16 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.572 165.851 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -160.97 155.24 23.04 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.246 0.966 . . . . 0.0 111.235 173.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -72.24 127.75 33.52 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.365 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.13 147.7 6.79 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-O 122.078 0.942 . . . . 0.0 110.079 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.91 164.89 25.26 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -179.22 3.78 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 3.5 mtt -137.14 161.03 37.25 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.65 156.46 48.52 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.816 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.7 116.14 28.74 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 177.311 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -112.33 115.81 29.35 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.02 8.58 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -169.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.7 m -114.04 14.57 18.38 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.381 -0.409 . . . . 0.0 109.919 178.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.1 p -111.99 122.49 47.92 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 97.2 t -76.11 120.09 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -124.17 119.38 26.44 Favored Pre-proline 0 C--O 1.245 0.856 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -173.331 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.92 134.8 59.01 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 117.946 -0.903 . . . . 0.0 111.873 173.362 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.74 132.21 34.18 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -11.23 59.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -172.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -67.08 144.36 56.15 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 125.56 26.74 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 45' ' ' GLY . . . . . 0.446 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.33 171.18 21.6 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.19 1.439 . . . . 0.0 115.389 -179.098 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 74.4 mt -128.35 124.43 36.39 Favored 'General case' 0 N--CA 1.423 -1.796 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 175.822 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 25.9 t -90.98 137.58 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 164.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -151.96 157.74 42.18 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.983 0.897 . . . . 0.0 113.007 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.733 HG12 ' CD2' ' C' ' 127' ' ' TYR . 5.8 tp -118.74 131.04 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 113.591 -1.64 . . . . 0.0 108.36 174.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -134.02 137.61 44.84 Favored 'General case' 0 CA--C 1.492 -1.251 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -100.2 122.13 42.53 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 170.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 36.0 p -84.04 171.12 13.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.295 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.61 -10.4 59.71 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.606 -0.837 . . . . 0.0 113.149 -170.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.69 7.42 14.91 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.028 170.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.82 -1.15 3.15 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.496 1.518 . . . . 0.0 114.704 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mp -102.23 129.07 54.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.122 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.541 ' O ' HD12 ' C' ' 49' ' ' ILE . 11.7 m170 -117.58 125.32 50.59 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 59' ' ' PHE . . . . . 0.581 ' CZ ' HD12 ' C' ' 96' ' ' LEU . 0.0 OUTLIER -98.8 119.04 36.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 171.295 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 56.2 m -127.75 156.84 41.8 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 61' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.48 128.21 40.78 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 113.547 -1.66 . . . . 0.0 108.711 169.32 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -120.66 134.43 55.28 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.741 -176.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -74.32 115.34 13.72 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -64.1 -32.28 73.78 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -176.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.59 -46.14 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -175.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -20.45 21.79 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.578 -176.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.67 60.83 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 119.709 -0.495 . . . . 0.0 113.771 -171.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.62 130.02 39.62 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.653 1.226 . . . . 0.0 113.122 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.12 109.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -94.42 -28.9 15.25 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.965 -171.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -122.03 135.55 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.864 0.84 . . . . 0.0 109.417 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -155.0 103.34 2.39 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 73' ' ' LEU . . . . . 0.443 HD13 ' HE2' ' C' ' 59' ' ' PHE . 0.1 OUTLIER -118.05 123.28 45.26 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 114.304 -1.316 . . . . 0.0 109.264 -174.784 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 pp -75.86 124.3 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.432 1.111 . . . . 0.0 111.742 168.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 1.022 HG21 HD13 ' C' ' 128' ' ' LEU . 18.0 mm -122.96 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.602 -174.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 76' ' ' PHE . . . . . 0.421 ' CB ' HD11 ' A' ' 44' ' ' ILE . 1.5 m-85 -101.27 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.625 0 O-C-N 124.424 1.078 . . . . 0.0 110.902 173.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.28 133.88 58.08 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.319 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.54 6.79 5.89 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -175.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 79' ' ' ASP . . . . . 0.718 ' OD1' HG23 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -70.39 -33.63 71.62 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.975 0.807 . . . . 0.0 109.574 176.842 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 14.3 p -154.9 168.22 27.67 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.5 -1.28 . . . . 0.0 113.639 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -133.47 139.33 46.62 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.018 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.748 ' CD2' HD22 ' C' ' 96' ' ' LEU . 3.1 m-85 -106.79 124.2 49.27 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -148.56 156.4 42.38 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -67.64 142.79 56.29 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.444 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 96.9 t -94.23 98.35 2.86 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 171.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -61.0 -31.96 91.85 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 N-CA-C 117.791 2.189 . . . . 0.0 117.791 -167.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -91.1 8.59 34.82 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.207 -164.835 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 58.4 m -85.09 119.68 72.74 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.93 -19.89 34.05 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.427 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 88.1 p -65.49 -34.66 78.8 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.421 0.555 . . . . 0.0 110.06 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.41 13.09 64.74 Favored Glycine 0 CA--C 1.506 -0.529 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.558 -172.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -121.05 17.2 11.67 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -97.1 133.43 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -125.08 151.87 45.09 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 125.634 1.834 . . . . 0.0 110.375 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 95' ' ' VAL . . . . . 0.404 ' C ' HD23 ' C' ' 96' ' ' LEU . 9.7 p -127.03 135.31 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 96' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' C' ' 82' ' ' PHE . 0.6 OUTLIER -95.44 108.15 20.34 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.107 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -109.26 125.16 51.99 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -171.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -84.81 115.64 22.84 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.146 0.904 . . . . 0.0 109.17 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 99' ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -63.38 -25.16 68.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.412 -169.633 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.25 115.19 28.93 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 173.619 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 102' ' ' SER . . . . . 0.484 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 23.4 m -91.39 9.04 33.34 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.034 -0.686 . . . . 0.0 110.525 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -70.76 129.15 38.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 117.943 -1.503 . . . . 0.0 110.596 -164.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.01 141.69 46.25 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.968 175.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 81.6 mt -124.53 126.17 45.41 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 171.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -100.8 143.74 30.59 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 124.794 1.309 . . . . 0.0 110.23 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -137.09 156.7 48.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.519 -1.218 . . . . 0.0 109.281 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -131.46 126.64 35.55 Favored 'General case' 0 N--CA 1.419 -2.008 0 C-N-CA 119.573 -0.851 . . . . 0.0 110.434 174.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.73 137.76 58.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.224 -174.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.83 3.91 11.55 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.225 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.34 135.96 93.97 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.177 1.465 . . . . 0.0 108.637 173.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.25 -41.41 42.49 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.11 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 121.149 0.499 . . . . 0.0 110.49 173.682 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.0 t -83.38 -9.3 59.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.199 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -53.57 -33.84 56.2 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.16 5.76 37.97 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -174.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -56.85 -48.83 77.17 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.348 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.17 70.45 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 110.559 -173.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.29 -44.06 80.2 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.947 0.404 . . . . 0.0 110.932 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -55.64 -45.81 77.54 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.981 -1.074 . . . . 0.0 112.286 173.593 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 121' ' ' CYS . . . . . 0.852 ' O ' HG22 ' C' ' 124' ' ' VAL . 54.0 t -60.63 -43.18 97.82 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.637 0.732 . . . . 0.0 110.264 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -43.47 98.78 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.092 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -64.15 -42.38 96.8 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 124' ' ' VAL . . . . . 1.048 ' HA ' ' CE1' ' C' ' 127' ' ' TYR . 17.0 m -52.24 -51.97 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.401 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 125' ' ' ASN . . . . . 0.5 ' N ' HG23 ' C' ' 124' ' ' VAL . 4.5 m-20 -60.3 -39.53 87.3 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -65.27 -46.04 82.08 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.437 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 127' ' ' TYR . . . . . 1.048 ' CE1' ' HA ' ' C' ' 124' ' ' VAL . 0.5 OUTLIER -79.07 -24.42 43.53 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.423 -0.911 . . . . 0.0 112.3 -174.523 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 1.022 HD13 HG21 ' C' ' 75' ' ' ILE . 3.8 mt -79.04 -36.1 41.59 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.811 -0.755 . . . . 0.0 112.245 174.507 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 129' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' C' ' 129' ' ' ASN . 1.2 t30 -110.77 -11.17 14.42 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -168.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -141.17 71.93 27.35 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 169.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -46.18 165.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 121.564 1.509 . . . . 0.0 111.609 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 C--N 1.289 -2.558 0 C-N-CA 122.632 2.221 . . . . 0.0 111.559 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 mtm . . . . . 0 CA--C 1.55 0.957 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -91.14 138.23 31.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 126.857 2.598 . . . . 0.0 108.837 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.412 HD11 ' HB ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -131.23 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.41 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 173.49 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -115.98 140.13 49.57 Favored 'General case' 0 N--CA 1.512 2.649 1 O-C-N 130.565 4.916 . . . . 0.0 108.757 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.417 ' HB ' HG22 ' A' ' 13' ' ' ILE . 21.2 t -117.99 114.22 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-O 113.396 -3.192 . . . . 0.0 105.633 175.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.26 127.61 41.45 Favored 'General case' 0 N--CA 1.506 2.344 1 O-C-N 129.351 4.157 . . . . 0.0 107.868 -178.066 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.28 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.4 -7.05 50.05 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 124.121 0.888 . . . . 0.0 112.663 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -101.53 15.11 29.92 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.568 -2.453 . . . . 0.0 112.023 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.72 80.14 Favored Glycine 0 C--N 1.298 -1.572 0 O-C-N 120.204 -1.56 . . . . 0.0 116.08 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 138.15 34.53 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 175.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.92 131.75 55.31 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 126.63 2.456 . . . . 0.0 105.857 176.399 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.429 HD11 ' HG3' ' A' ' 33' ' ' LYS . 1.3 tt -109.7 141.92 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 127.692 3.12 . . . . 0.0 108.822 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.35 139.64 36.74 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.216 -1.793 . . . . 0.0 108.228 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 mp -126.44 154.06 44.19 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 115.388 -2.244 . . . . 0.0 108.34 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -111.83 121.02 43.91 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.29 4.119 . . . . 0.0 103.673 173.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.412 ' HB ' HD11 ' A' ' 3' ' ' ILE . 2.3 t -138.92 170.57 16.07 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 O-C-N 127.528 3.017 . . . . 0.0 111.213 -177.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -119.92 144.41 37.37 Favored Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 112.383 -2.19 . . . . 0.0 106.401 174.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -54.95 -24.38 39.13 Favored 'Trans proline' 0 C--N 1.321 -0.913 0 C-N-CA 122.49 2.126 . . . . 0.0 111.914 177.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m -79.97 -8.19 59.21 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.842 -177.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.96 148.43 47.7 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 117.498 -1.681 . . . . 0.0 109.838 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -83.73 160.52 21.26 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.7 mp -61.51 -37.02 76.85 Favored 'Isoleucine or valine' 0 C--O 1.246 0.9 0 O-C-N 127.206 2.816 . . . . 0.0 110.257 175.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -40.08 78.43 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.324 -0.86 . . . . 0.0 110.723 177.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.35 -41.94 79.95 Favored 'General case' 0 C--O 1.261 1.663 0 O-C-N 121.841 -0.537 . . . . 0.0 110.969 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.18 -46.48 88.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.529 1.143 . . . . 0.0 109.192 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -60.82 -37.9 83.57 Favored 'General case' 0 C--O 1.258 1.507 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.746 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.1 87.31 Favored 'General case' 0 C--O 1.278 2.555 0 CA-C-N 118.073 0.397 . . . . 0.0 111.165 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -64.14 -37.56 87.91 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 120.43 -1.419 . . . . 0.0 110.716 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.3 mt -69.91 -39.44 77.58 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -62.2 -48.77 78.57 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 125.547 2.594 . . . . 0.0 109.052 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -41.66 65.62 Favored 'General case' 0 C--O 1.253 1.244 0 CA-C-N 113.404 -1.726 . . . . 0.0 111.988 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HG3' HD11 ' A' ' 13' ' ' ILE 0.317 13.0 tptm -93.7 -24.31 17.9 Favored 'General case' 0 C--O 1.281 2.712 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -175.837 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -123.33 -6.49 8.22 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 123.166 2.712 . . . . 0.0 114.251 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.67 89.94 Favored Glycine 0 CA--C 1.478 -2.227 0 N-CA-C 118.896 2.318 . . . . 0.0 118.896 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 64.3 mt -79.82 124.73 83.2 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.886 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 80.6 Cg_exo -56.99 136.9 79.47 Favored 'Trans proline' 0 C--O 1.257 1.453 0 C-N-CA 123.301 2.667 . . . . 0.0 110.767 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.6 Cg_exo -57.22 -31.95 92.15 Favored 'Trans proline' 0 C--O 1.263 1.755 0 O-C-N 123.067 1.035 . . . . 0.0 113.634 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -68.47 -15.29 63.49 Favored 'General case' 0 C--O 1.264 1.833 0 O-C-N 119.841 -1.787 . . . . 0.0 112.208 -177.497 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -95.99 -10.33 28.86 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.582 -1.324 . . . . 0.0 112.048 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -84.89 129.65 34.78 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 124.441 2.067 . . . . 0.0 115.75 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.02 116.12 24.45 Favored 'General case' 0 C--O 1.299 3.706 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 171.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -103.52 130.17 50.85 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 119.48 1.036 . . . . 0.0 109.96 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -122.16 131.88 72.21 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 O-C-N 125.239 1.587 . . . . 0.0 111.885 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -144.31 129.56 18.75 Favored 'General case' 0 C--N 1.36 1.047 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' HG3' ' C' ' 103' ' ' LYS . . . 48.17 46.02 19.75 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.208 -2.269 . . . . 0.0 110.842 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.69 60.96 Favored Glycine 0 N--CA 1.432 -1.607 0 C-N-CA 128.581 2.991 . . . . 0.0 117.489 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -115.01 142.91 45.99 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.93 130.3 34.58 Favored 'General case' 0 C--O 1.258 1.519 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 174.601 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.56 138.08 37.37 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 117.703 -1.141 . . . . 0.0 110.18 -175.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.522 ' O ' HD13 ' A' ' 23' ' ' ILE . 13.4 mm-40 -101.66 140.17 36.31 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 125.028 1.455 . . . . 0.0 109.988 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -42.45 28.88 Favored 'General case' 0 C--O 1.263 1.814 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -175.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 -8.9 85.44 Favored Glycine 0 CA--C 1.488 -1.606 0 N-CA-C 116.184 1.234 . . . . 0.0 116.184 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.753 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -85.41 165.36 17.27 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 119.715 -2.05 . . . . 0.0 108.028 176.518 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 26.6 p -104.57 164.84 11.47 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 177.021 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.56 -36.08 79.59 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -29.52 70.64 Favored 'General case' 0 C--O 1.269 2.106 0 C-N-CA 117.278 -1.769 . . . . 0.0 112.175 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -39.69 70.57 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 122.364 1.078 . . . . 0.0 110.657 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -90.81 4.8 50.7 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 117.638 -1.172 . . . . 0.0 112.966 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 58.14 45.15 18.02 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.671 2.032 . . . . 0.0 111.174 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.4 mt -88.74 116.53 30.55 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 115.156 -2.354 . . . . 0.0 106.185 175.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -103.58 169.67 8.39 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.106 2.129 . . . . 0.0 109.315 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 142.94 27.71 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 123.186 1.47 . . . . 0.0 109.149 -176.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 67.13 19.11 10.45 Favored 'General case' 0 C--O 1.254 1.316 0 N-CA-C 117.98 2.585 . . . . 0.0 117.98 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -71.14 159.55 34.47 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.16 126.74 52.3 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 118.108 -0.949 . . . . 0.0 108.859 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.4 mt -103.11 154.59 19.13 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 114.828 -2.511 . . . . 0.0 105.647 175.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -105.63 135.59 46.76 Favored 'General case' 0 C--N 1.287 -2.111 0 O-C-N 127.352 2.907 . . . . 0.0 105.838 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tt -106.83 115.8 30.82 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.457 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.8 t -108.07 139.84 28.75 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 N-CA-C 103.574 -2.751 . . . . 0.0 103.574 175.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.03 138.92 32.96 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.288 0.566 . . . . 0.0 109.828 178.275 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 . . . . . 0 C--N 1.279 -2.476 0 CA-C-O 113.183 -3.294 . . . . 0.0 105.559 178.562 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.93 138.53 31.53 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 127.148 2.78 . . . . 0.0 108.788 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.847 HD11 HG12 ' B' ' 17' ' ' VAL . 0.0 OUTLIER -131.21 163.14 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.25 0 CA-C-O 115.739 -2.076 . . . . 0.0 105.941 173.14 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -116.01 140.11 49.59 Favored 'General case' 0 N--CA 1.514 2.737 1 O-C-N 130.603 4.939 . . . . 0.0 108.65 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 33.5 t -117.87 114.12 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 113.443 -3.17 . . . . 0.0 105.789 175.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.11 127.57 41.27 Favored 'General case' 0 N--CA 1.503 2.195 1 O-C-N 129.184 4.053 . . . . 0.0 108.185 -178.145 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.3 p -99.57 170.74 8.38 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.749 -1.119 . . . . 0.0 109.328 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.652 ' H ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.27 -7.03 49.76 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 124.171 0.919 . . . . 0.0 112.824 -178.28 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -101.22 14.82 30.75 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 115.661 -2.416 . . . . 0.0 111.944 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.69 80.05 Favored Glycine 0 C--N 1.296 -1.64 0 O-C-N 120.102 -1.624 . . . . 0.0 116.044 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.26 137.92 34.63 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 174.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 24.5 p -119.9 131.92 55.38 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 126.365 2.29 . . . . 0.0 106.122 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mm -109.53 141.81 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 127.795 3.184 . . . . 0.0 109.063 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -101.1 139.87 36.19 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 117.031 -1.867 . . . . 0.0 108.376 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 mp -126.57 154.0 44.48 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 115.405 -2.236 . . . . 0.0 108.421 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -111.77 121.25 44.57 Favored 'General case' 0 N--CA 1.498 1.933 1 O-C-N 129.416 4.197 . . . . 0.0 103.513 174.076 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.847 HG12 HD11 ' B' ' 3' ' ' ILE . 0.4 OUTLIER -139.15 170.54 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.213 0 O-C-N 127.798 3.186 . . . . 0.0 111.198 -177.855 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.467 ' N ' HG13 ' B' ' 17' ' ' VAL . 0.5 OUTLIER -120.03 144.64 38.06 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 112.032 -2.349 . . . . 0.0 106.251 174.702 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.98 -24.69 40.73 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 C-N-CA 122.687 2.258 . . . . 0.0 111.52 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -8.26 59.21 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.857 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.93 148.47 47.69 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 117.28 -1.768 . . . . 0.0 109.81 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.78 160.55 21.2 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 1.223 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.48 -36.79 75.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 127.048 2.718 . . . . 0.0 110.346 175.861 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.782 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.15 -42.94 77.77 Favored 'General case' 0 C--O 1.252 1.207 0 O-C-N 120.393 -1.442 . . . . 0.0 110.974 176.308 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -64.42 -44.58 90.75 Favored 'General case' 0 C--O 1.251 1.154 0 C-N-CA 124.208 1.003 . . . . 0.0 111.395 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.55 -46.31 90.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.882 1.363 . . . . 0.0 109.01 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -60.71 -37.94 83.37 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.907 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.27 -37.96 86.68 Favored 'General case' 0 C--O 1.278 2.558 0 O-C-N 123.496 0.498 . . . . 0.0 111.451 176.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -64.15 -37.33 87.08 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 120.481 -1.387 . . . . 0.0 110.78 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.77 -39.74 78.29 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -61.92 -48.88 78.45 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 125.504 2.573 . . . . 0.0 108.995 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.33 -41.8 66.09 Favored 'General case' 0 C--O 1.256 1.414 0 CA-C-N 113.69 -1.595 . . . . 0.0 111.869 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -93.36 -24.45 18.09 Favored 'General case' 0 C--O 1.28 2.662 0 N-CA-C 117.196 2.295 . . . . 0.0 117.196 -175.888 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.64 -6.28 8.06 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 122.941 2.61 . . . . 0.0 113.83 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.56 90.06 Favored Glycine 0 CA--C 1.476 -2.366 0 N-CA-C 118.803 2.281 . . . . 0.0 118.803 176.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.447 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 58.3 mt -80.04 125.05 82.58 Favored Pre-proline 0 C--O 1.241 0.65 0 C-N-CA 118.627 -1.229 . . . . 0.0 111.051 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.496 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 24.8 Cg_endo -57.0 136.99 80.03 Favored 'Trans proline' 0 C--O 1.256 1.386 0 C-N-CA 122.971 2.447 . . . . 0.0 110.853 178.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.6 Cg_exo -57.24 -32.22 92.99 Favored 'Trans proline' 0 C--O 1.261 1.654 0 O-C-N 123.032 1.017 . . . . 0.0 113.435 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.19 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 119.97 -1.706 . . . . 0.0 112.215 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.522 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.9 OUTLIER -95.58 -10.55 29.26 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.559 -1.338 . . . . 0.0 112.192 178.484 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -84.85 129.55 34.79 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 124.193 1.949 . . . . 0.0 115.775 -177.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -121.15 116.15 24.41 Favored 'General case' 0 C--O 1.299 3.668 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 172.234 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.6 130.34 51.01 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.476 1.034 . . . . 0.0 109.935 -177.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.543 HG23 ' O ' ' B' ' 68' ' ' HIS . 0.1 OUTLIER -122.07 131.58 72.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 O-C-N 125.181 1.55 . . . . 0.0 112.018 -177.574 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -144.27 129.85 19.07 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.01 19.62 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 111.9 -2.409 . . . . 0.0 110.639 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 20.2 59.55 Favored Glycine 0 C--N 1.298 -1.535 0 C-N-CA 128.363 2.887 . . . . 0.0 117.319 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -109.83 143.84 39.12 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 115.344 -2.265 . . . . 0.0 110.977 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.57 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -87.24 130.37 34.6 Favored 'General case' 0 C--N 1.28 -2.423 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 173.393 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.62 138.41 37.41 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 117.57 -1.205 . . . . 0.0 110.024 -175.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 1.223 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.7 OUTLIER -101.91 140.09 36.66 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 125.252 1.595 . . . . 0.0 109.952 -177.693 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.895 ' O ' HG23 ' B' ' 23' ' ' ILE . 1.2 p30 -48.39 -41.97 30.5 Favored 'General case' 0 C--O 1.263 1.771 0 N-CA-C 120.787 3.625 . . . . 0.0 120.787 -175.751 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.18 -8.65 85.15 Favored Glycine 0 N--CA 1.476 1.342 0 N-CA-C 115.942 1.137 . . . . 0.0 115.942 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.806 ' O ' HG22 ' B' ' 23' ' ' ILE . 16.1 mmt180 -85.57 165.32 17.16 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.116 -1.814 . . . . 0.0 107.969 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 30.2 p -104.33 164.48 11.7 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 177.028 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.02 -36.46 79.59 Favored 'General case' 0 C--O 1.2 -1.518 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.6 t -63.57 -29.79 71.0 Favored 'General case' 0 C--O 1.267 2.011 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.229 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.78 -38.99 70.63 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 122.44 1.114 . . . . 0.0 110.73 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -91.07 4.53 51.9 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.632 -1.175 . . . . 0.0 112.903 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.87 45.42 18.45 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 121.68 2.036 . . . . 0.0 111.257 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.3 mt -88.71 116.15 29.88 Favored 'Isoleucine or valine' 0 C--O 1.27 2.159 0 CA-C-O 114.994 -2.431 . . . . 0.0 106.309 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.2 169.51 8.51 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 126.157 2.161 . . . . 0.0 109.67 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 142.89 28.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 123.151 1.453 . . . . 0.0 109.359 -176.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.16 19.06 10.43 Favored 'General case' 0 C--O 1.254 1.342 0 N-CA-C 117.806 2.521 . . . . 0.0 117.806 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.07 159.57 34.48 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 174.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.03 126.61 52.11 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 118.142 -0.932 . . . . 0.0 108.784 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mp -103.17 154.59 19.16 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.597 -2.62 . . . . 0.0 105.776 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.543 ' O ' HG23 ' B' ' 44' ' ' ILE . 3.0 m80 -105.55 135.83 46.24 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 127.644 3.09 . . . . 0.0 105.688 178.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.14 115.78 30.78 Favored 'General case' 0 C--O 1.283 2.845 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.403 176.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.06 139.93 28.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 103.467 -2.79 . . . . 0.0 103.467 175.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.579 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.9 tt -96.16 -83.47 0.37 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.101 0.477 . . . . 0.0 109.795 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.41 ' HB2' ' H ' ' C' ' 102' ' ' SER . 40.0 ttp180 . . . . . 0 C--N 1.277 -2.543 0 CA-C-O 113.415 -3.183 . . . . 0.0 105.475 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 tttm . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.602 0.715 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.612 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.438 HD13 ' CD2' ' C' ' 127' ' ' TYR . 24.9 mt -70.18 -39.66 75.14 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.682 0.754 . . . . 0.0 111.848 172.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -144.29 136.07 22.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.247 1.419 . . . . 0.0 107.461 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.3 148.06 34.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.664 -0.815 . . . . 0.0 110.625 165.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.03 155.17 22.79 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.225 0.953 . . . . 0.0 111.21 173.175 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -72.29 127.77 33.57 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.338 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.18 147.69 6.74 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.077 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.98 164.85 25.15 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.11 -179.19 3.78 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 15.0 mtt -137.13 161.09 37.09 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.7 156.58 48.34 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.067 -1.453 . . . . 0.0 108.751 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.74 116.16 28.77 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.39 115.91 29.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 106.465 -1.679 . . . . 0.0 106.465 172.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -169.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.1 p -114.01 14.55 18.42 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.383 -0.409 . . . . 0.0 109.962 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 47.4 p -111.96 122.49 47.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.507 HG23 ' O ' ' C' ' 38' ' ' VAL . 34.6 m -76.16 120.0 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 66.5 p -124.07 119.31 26.57 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.17 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.8 59.06 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 117.91 -0.927 . . . . 0.0 111.946 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 172.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.26 59.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -67.04 144.37 56.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -173.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 125.59 26.86 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 171.676 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 45' ' ' GLY . . . . . 0.445 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.37 171.26 21.58 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.189 1.438 . . . . 0.0 115.372 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.42 124.33 35.99 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.9 t -90.85 137.5 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.122 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 164.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.705 ' C ' HD13 ' C' ' 49' ' ' ILE . 11.3 p90 -151.97 157.85 42.31 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.074 0.94 . . . . 0.0 112.97 175.434 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.856 HD12 ' CD2' ' C' ' 59' ' ' PHE . 3.4 mm -118.84 131.07 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.347 174.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -134.09 137.65 44.75 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -100.16 122.01 42.33 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 18.6 p -84.05 171.12 13.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.272 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.5 -10.47 59.81 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.622 -0.831 . . . . 0.0 113.191 -170.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.69 7.47 14.77 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.044 170.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m 73.8 -1.26 3.12 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.464 1.505 . . . . 0.0 114.703 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.87 149.89 39.39 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 122.186 0.994 . . . . 0.0 113.095 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 57' ' ' ILE . . . . . 0.611 ' CG2' HD11 ' C' ' 75' ' ' ILE . 2.7 mp -102.21 129.03 54.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.5 OUTLIER -117.51 125.38 50.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -176.579 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 59' ' ' PHE . . . . . 0.856 ' CD2' HD12 ' C' ' 49' ' ' ILE . 1.7 m-85 -98.87 119.04 36.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 171.265 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -127.75 156.76 41.92 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -171.193 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 61' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.47 128.35 41.06 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.485 -1.689 . . . . 0.0 108.646 169.273 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -120.7 134.36 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.753 -176.335 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.22 115.31 13.58 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 173.328 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -32.42 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 71.0 p -72.5 -46.16 56.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -175.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 93.5 p -91.42 -20.51 21.71 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.555 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.75 60.84 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.713 -0.493 . . . . 0.0 113.77 -171.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -72.54 130.02 39.66 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.624 1.212 . . . . 0.0 113.144 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.17 109.05 17.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.47 -28.77 15.29 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.047 -171.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.03 135.63 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.782 0.801 . . . . 0.0 109.383 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.08 103.33 2.38 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.06 123.25 45.19 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.253 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.91 124.3 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-O 122.392 1.091 . . . . 0.0 111.717 168.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.806 HD13 ' HB2' ' C' ' 128' ' ' LEU . 1.9 pp -122.96 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.602 -174.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -101.24 158.99 30.75 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.434 1.084 . . . . 0.0 110.87 173.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.32 133.85 58.05 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.931 2.421 . . . . 0.0 111.289 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.58 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.45 -33.54 71.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 119.038 0.835 . . . . 0.0 109.638 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 31.1 p -154.97 168.18 27.84 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.446 -1.302 . . . . 0.0 113.593 -173.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 81' ' ' GLU . . . . . 0.495 ' N ' HE21 ' B' ' 49' ' ' GLN . 10.8 tt0 -133.36 139.29 46.73 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.426 -1.716 . . . . 0.0 107.024 -178.116 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.69 124.19 49.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -148.51 156.48 42.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -67.77 142.85 56.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.426 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 85' ' ' VAL . . . . . 0.695 ' HB ' HG13 ' C' ' 93' ' ' VAL . 3.0 t -94.29 98.37 2.9 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.07 -31.89 91.28 Favored 'Trans proline' 0 C--N 1.329 -0.479 0 N-CA-C 117.834 2.206 . . . . 0.0 117.834 -167.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -91.08 8.6 34.71 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.011 -1.476 . . . . 0.0 112.145 -164.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 88' ' ' CYS . . . . . 0.54 ' HB2' HG11 ' C' ' 93' ' ' VAL . 12.6 t -85.09 119.62 72.67 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.96 -19.86 34.09 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.488 -173.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 56.3 m -65.52 -34.63 78.71 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.351 0.523 . . . . 0.0 110.047 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 12.99 64.73 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.587 -172.629 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -120.97 17.1 11.74 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 93' ' ' VAL . . . . . 0.695 HG13 ' HB ' ' C' ' 85' ' ' VAL . 2.5 p -97.08 133.5 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.658 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -125.1 151.79 45.23 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 125.46 1.725 . . . . 0.0 110.404 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.03 135.32 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tt -95.41 108.09 20.27 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 169.026 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.19 125.17 51.94 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -171.102 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -84.88 115.66 22.89 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.154 0.909 . . . . 0.0 109.214 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -25.21 68.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.355 -169.577 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.26 115.17 28.88 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 101' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' B' ' 72' ' ' ARG . . . 101.93 172.39 27.68 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -172.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 102' ' ' SER . . . . . 0.41 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 0.4 OUTLIER -91.37 9.03 33.3 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 122.037 -0.684 . . . . 0.0 110.549 179.408 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 103' ' ' LYS . . . . . 0.51 ' HG3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -70.65 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.606 -165.054 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.74 46.18 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.958 175.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -124.5 126.17 45.43 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 171.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.84 143.59 30.82 Favored 'General case' 0 N--CA 1.442 -0.875 0 O-C-N 124.722 1.264 . . . . 0.0 110.297 -177.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -137.03 156.67 48.13 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.344 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.46 126.67 35.64 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.544 -0.863 . . . . 0.0 110.36 175.017 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.65 137.84 58.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.198 -174.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -118.91 3.97 11.5 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.276 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 135.89 93.88 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.099 1.428 . . . . 0.0 108.614 172.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.36 -41.23 42.96 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.561 -1.16 . . . . 0.0 112.447 -174.061 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -96.18 146.9 24.29 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.508 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 23.1 p -83.39 -9.4 59.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.133 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -33.88 55.9 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.762 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -103.07 5.74 38.21 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -56.89 -48.77 77.42 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 118.946 -1.102 . . . . 0.0 110.306 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -69.83 -32.14 70.4 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.597 -173.496 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -44.0 79.84 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -45.88 77.56 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.015 -1.053 . . . . 0.0 112.249 173.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 121' ' ' CYS . . . . . 0.808 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 10.6 t -60.63 -43.03 97.99 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.611 0.72 . . . . 0.0 110.324 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.88 -43.44 98.84 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.152 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -64.22 -42.29 96.65 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 124' ' ' VAL . . . . . 0.808 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 5.7 m -52.37 -51.84 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.456 175.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 125' ' ' ASN . . . . . 0.512 ' HA ' HD23 ' C' ' 128' ' ' LEU . 0.6 OUTLIER -60.37 -39.43 87.19 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -46.0 82.18 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.823 0.344 . . . . 0.0 111.51 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 127' ' ' TYR . . . . . 0.438 ' CD2' HD13 ' C' ' 23' ' ' LEU . 11.8 m-85 -79.12 -24.42 43.39 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 119.428 -0.909 . . . . 0.0 112.3 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.806 ' HB2' HD13 ' C' ' 75' ' ' ILE . 0.4 OUTLIER -79.04 -36.11 41.57 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.794 -0.763 . . . . 0.0 112.24 174.511 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 129' ' ' ASN . . . . . 0.466 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.0 OUTLIER -110.78 -11.09 14.42 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -168.541 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -141.18 71.88 27.33 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 169.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -79.3 168.42 20.19 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.598 1.532 . . . . 0.0 111.678 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo . . . . . 0 C--N 1.289 -2.564 0 C-N-CA 122.466 2.11 . . . . 0.0 111.559 179.898 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 mmt . . . . . 0 CA--C 1.55 0.951 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.11 138.27 31.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 126.964 2.665 . . . . 0.0 108.901 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 pt -131.27 162.99 38.29 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.38 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.99 140.24 49.45 Favored 'General case' 0 N--CA 1.513 2.678 1 O-C-N 130.624 4.952 . . . . 0.0 108.772 179.61 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-O 113.423 -3.18 . . . . 0.0 105.634 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 127.55 41.35 Favored 'General case' 0 N--CA 1.506 2.374 1 O-C-N 129.307 4.13 . . . . 0.0 107.867 -178.087 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . 0.721 HG23 ' H ' ' A' ' 9' ' ' THR . 14.9 t -99.59 170.86 8.29 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.269 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -6.93 49.43 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.142 0.901 . . . . 0.0 112.747 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . 0.721 ' H ' HG23 ' A' ' 7' ' ' THR . 2.8 m -101.56 15.03 30.18 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 115.68 -2.408 . . . . 0.0 111.972 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 16.9 80.09 Favored Glycine 0 C--N 1.297 -1.621 0 O-C-N 120.204 -1.56 . . . . 0.0 116.08 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.546 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.46 138.05 34.63 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 p -120.0 131.66 55.22 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 126.544 2.403 . . . . 0.0 105.965 176.342 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mm -109.54 141.96 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 127.65 3.094 . . . . 0.0 108.857 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 t -101.39 139.7 36.7 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.176 -1.809 . . . . 0.0 108.188 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -126.43 154.0 44.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 115.443 -2.218 . . . . 0.0 108.32 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -111.81 121.01 43.92 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.226 4.079 . . . . 0.0 103.643 173.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.1 m -138.94 170.55 16.07 Favored 'Isoleucine or valine' 0 C--O 1.255 1.345 0 O-C-N 127.51 3.006 . . . . 0.0 111.266 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -119.91 144.43 37.4 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 112.451 -2.159 . . . . 0.0 106.445 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -55.01 -24.29 39.16 Favored 'Trans proline' 0 C--N 1.321 -0.9 0 C-N-CA 122.468 2.112 . . . . 0.0 112.004 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.7 p -80.04 -8.07 59.18 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.92 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.13 148.47 47.38 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 117.297 -1.761 . . . . 0.0 109.846 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.67 160.52 21.32 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 175.76 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -61.51 -37.04 76.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.848 0 O-C-N 127.148 2.78 . . . . 0.0 110.189 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.55 -40.25 78.47 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.32 -0.862 . . . . 0.0 110.658 177.046 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.33 -41.86 80.18 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 121.837 -0.539 . . . . 0.0 110.984 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.29 -46.46 88.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 O-C-N 124.473 1.108 . . . . 0.0 109.137 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -60.74 -37.98 83.58 Favored 'General case' 0 C--O 1.26 1.63 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.7 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.08 87.23 Favored 'General case' 0 C--O 1.278 2.564 0 CA-C-N 118.144 0.429 . . . . 0.0 111.154 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -37.43 87.44 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 120.432 -1.417 . . . . 0.0 110.701 176.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.07 -39.47 77.25 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -48.71 78.73 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 125.496 2.569 . . . . 0.0 109.102 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -53.23 -41.71 65.69 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-N 113.466 -1.697 . . . . 0.0 111.935 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 16.0 ttmt -93.67 -24.19 17.97 Favored 'General case' 0 C--O 1.281 2.732 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 -175.861 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.48 -6.42 8.14 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.146 2.703 . . . . 0.0 114.194 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.56 90.02 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.934 2.334 . . . . 0.0 118.934 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.472 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 68.5 mt -79.85 124.76 83.14 Favored Pre-proline 0 C--O 1.244 0.764 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.936 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.9 Cg_exo -56.94 136.87 79.15 Favored 'Trans proline' 0 C--O 1.259 1.527 0 C-N-CA 123.362 2.708 . . . . 0.0 110.815 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.1 Cg_exo -57.31 -31.83 92.04 Favored 'Trans proline' 0 C--O 1.262 1.691 0 O-C-N 122.949 0.973 . . . . 0.0 113.605 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -15.19 63.45 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 119.921 -1.737 . . . . 0.0 112.213 -177.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.07 -10.19 29.01 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.709 -1.245 . . . . 0.0 112.027 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -84.9 129.62 34.78 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 124.35 2.024 . . . . 0.0 115.68 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.478 ' HG3' HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -121.07 116.1 24.37 Favored 'General case' 0 C--O 1.299 3.67 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 171.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -103.54 130.12 50.89 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 119.462 1.028 . . . . 0.0 109.932 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.478 HD11 ' HG3' ' A' ' 42' ' ' ARG . 2.1 mm -122.0 131.92 72.08 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 O-C-N 125.219 1.575 . . . . 0.0 111.923 -177.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -144.41 129.54 18.62 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.09 19.68 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.229 -2.26 . . . . 0.0 110.781 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.6 21.7 60.77 Favored Glycine 0 N--CA 1.432 -1.627 0 C-N-CA 128.694 3.045 . . . . 0.0 117.513 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -114.88 142.82 46.06 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -85.88 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.502 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.8 mt -79.43 138.05 37.47 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 117.581 -1.199 . . . . 0.0 110.276 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -101.72 140.12 36.44 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 125.182 1.551 . . . . 0.0 109.933 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -48.01 -42.51 28.31 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -175.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.92 85.41 Favored Glycine 0 CA--C 1.49 -1.496 0 N-CA-C 116.195 1.238 . . . . 0.0 116.195 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 165.35 17.29 Favored 'General case' 0 C--O 1.25 1.107 0 O-C-N 119.838 -1.977 . . . . 0.0 108.001 176.536 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 53.1 p -104.43 164.87 11.43 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -36.15 79.78 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 m -64.06 -29.46 70.6 Favored 'General case' 0 C--O 1.267 1.998 0 C-N-CA 117.287 -1.765 . . . . 0.0 112.255 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.52 -39.58 70.69 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 122.421 1.105 . . . . 0.0 110.703 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -90.76 4.69 50.9 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.996 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.12 45.22 17.97 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 121.584 1.993 . . . . 0.0 111.201 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -88.76 116.55 30.59 Favored 'Isoleucine or valine' 0 C--O 1.267 1.999 0 CA-C-O 115.147 -2.359 . . . . 0.0 106.194 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -103.57 169.61 8.43 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 126.028 2.08 . . . . 0.0 109.334 -176.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 142.87 27.7 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 123.193 1.473 . . . . 0.0 109.168 -176.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.589 ' O ' HD12 ' B' ' 8' ' ' LEU . 17.1 mm-40 67.05 19.15 10.54 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 118.027 2.602 . . . . 0.0 118.027 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.17 159.55 34.45 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.444 HG21 HG21 ' B' ' 70' ' ' VAL . 0.8 OUTLIER -119.16 126.73 52.29 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.863 175.782 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.2 mt -103.23 154.52 19.25 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.851 -2.5 . . . . 0.0 105.631 175.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -105.57 135.66 46.57 Favored 'General case' 0 C--N 1.287 -2.112 0 O-C-N 127.3 2.875 . . . . 0.0 105.846 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.4 tp -106.95 115.75 30.72 Favored 'General case' 0 C--O 1.284 2.895 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.407 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.0 139.92 28.33 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 103.568 -2.752 . . . . 0.0 103.568 175.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.8 mt -96.1 138.83 33.14 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.247 0.546 . . . . 0.0 109.838 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.525 0 CA-C-O 113.148 -3.311 . . . . 0.0 105.605 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -91.02 138.44 31.6 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 127.111 2.757 . . . . 0.0 108.838 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.498 HD11 HD12 ' B' ' 15' ' ' LEU . 1.5 pp -131.13 163.06 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.3 0 CA-C-O 115.77 -2.062 . . . . 0.0 105.92 173.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -115.92 140.16 49.52 Favored 'General case' 0 N--CA 1.515 2.795 1 O-C-N 130.56 4.913 . . . . 0.0 108.613 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.83 114.05 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.855 175.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.19 127.69 41.44 Favored 'General case' 0 N--CA 1.503 2.177 1 O-C-N 129.164 4.04 . . . . 0.0 108.047 -178.071 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 7' ' ' THR . . . . . 0.647 HG22 ' O ' ' B' ' 11' ' ' LYS . 11.1 t -99.59 170.85 8.3 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 64' ' ' GLU . 28.3 mt -73.34 -7.04 49.92 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 124.137 0.898 . . . . 0.0 112.834 -178.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.595 ' H ' HG23 ' B' ' 7' ' ' THR . 0.2 OUTLIER -101.24 14.9 30.52 Favored 'General case' 0 N--CA 1.505 2.296 0 C-N-CA 115.724 -2.391 . . . . 0.0 111.916 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.3 16.74 80.19 Favored Glycine 0 C--N 1.296 -1.664 0 O-C-N 120.232 -1.543 . . . . 0.0 116.117 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.647 ' O ' HG22 ' B' ' 7' ' ' THR . 0.1 OUTLIER -96.28 137.8 34.82 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 174.85 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.79 131.91 55.46 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 126.363 2.289 . . . . 0.0 106.179 176.128 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.51 141.76 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 127.747 3.154 . . . . 0.0 109.15 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 29.3 p -101.18 139.95 36.16 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 116.931 -1.908 . . . . 0.0 108.408 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.498 HD12 HD11 ' B' ' 3' ' ' ILE . 20.1 mt -126.56 154.02 44.45 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 115.426 -2.226 . . . . 0.0 108.388 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -111.76 121.22 44.5 Favored 'General case' 0 N--CA 1.495 1.822 1 O-C-N 129.256 4.097 . . . . 0.0 103.551 174.056 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.15 170.65 15.7 Favored 'Isoleucine or valine' 0 C--O 1.252 1.212 0 O-C-N 127.768 3.167 . . . . 0.0 111.179 -177.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.05 144.64 38.1 Favored Pre-proline 0 C--N 1.313 -0.99 0 CA-C-N 112.008 -2.36 . . . . 0.0 106.346 174.566 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.83 -24.76 39.97 Favored 'Trans proline' 0 C--N 1.317 -1.115 0 C-N-CA 122.632 2.221 . . . . 0.0 111.606 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -79.81 -8.31 59.2 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.91 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.88 148.42 47.81 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.794 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.75 160.46 21.25 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.73 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.654 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.9 mt -61.4 -36.8 75.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 O-C-N 126.962 2.664 . . . . 0.0 110.408 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.794 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.13 -42.95 77.73 Favored 'General case' 0 C--O 1.253 1.274 0 O-C-N 120.399 -1.438 . . . . 0.0 110.972 176.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.43 -44.53 90.91 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 124.195 0.998 . . . . 0.0 111.421 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -58.51 -46.32 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.854 1.346 . . . . 0.0 109.025 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -60.83 -37.88 83.55 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.868 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.94 86.53 Favored 'General case' 0 C--O 1.278 2.568 0 O-C-N 123.365 0.416 . . . . 0.0 111.372 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -64.0 -37.46 87.49 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 120.379 -1.451 . . . . 0.0 110.859 175.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.71 -39.7 78.37 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -48.76 78.86 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 125.566 2.603 . . . . 0.0 108.98 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -41.71 66.73 Favored 'General case' 0 C--O 1.257 1.481 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.866 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 4.8 ttmt -93.41 -24.37 18.08 Favored 'General case' 0 C--O 1.28 2.701 0 N-CA-C 117.2 2.296 . . . . 0.0 117.2 -175.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.66 -6.28 8.05 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 122.963 2.62 . . . . 0.0 113.723 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.59 90.04 Favored Glycine 0 CA--C 1.476 -2.381 0 N-CA-C 118.762 2.265 . . . . 0.0 118.762 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.475 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 86.7 mt -79.92 125.02 82.86 Favored Pre-proline 0 C--O 1.242 0.687 0 C-N-CA 118.766 -1.174 . . . . 0.0 111.044 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 83.3 Cg_exo -57.19 137.01 79.82 Favored 'Trans proline' 0 C--O 1.255 1.371 0 C-N-CA 122.987 2.458 . . . . 0.0 110.824 178.328 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -57.2 -32.12 92.6 Favored 'Trans proline' 0 C--O 1.26 1.622 0 O-C-N 123.133 1.07 . . . . 0.0 113.396 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -15.7 63.66 Favored 'General case' 0 C--O 1.264 1.855 0 O-C-N 119.899 -1.75 . . . . 0.0 112.145 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.794 ' HB3' HD11 ' B' ' 71' ' ' LEU . 11.2 mm100 -95.41 -10.54 29.67 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.493 -1.379 . . . . 0.0 112.23 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -84.84 129.63 34.78 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 124.271 1.986 . . . . 0.0 115.746 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 2.2 mmt180 -121.18 116.05 24.2 Favored 'General case' 0 C--O 1.3 3.719 0 N-CA-C 104.74 -2.319 . . . . 0.0 104.74 172.249 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.539 ' C ' HD13 ' B' ' 44' ' ' ILE . 13.7 mt -103.49 130.33 50.84 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 119.529 1.059 . . . . 0.0 109.958 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.539 HD13 ' C ' ' B' ' 43' ' ' LEU . 0.1 OUTLIER -122.03 131.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 O-C-N 125.164 1.54 . . . . 0.0 112.085 -177.665 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.973 ' O ' ' OH ' ' B' ' 59' ' ' TYR . 57.3 t80 -144.28 129.79 18.99 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.291 -2.115 . . . . 0.0 105.291 177.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.69 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 111.915 -2.402 . . . . 0.0 110.635 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.97 20.17 59.77 Favored Glycine 0 C--N 1.299 -1.526 0 C-N-CA 128.175 2.798 . . . . 0.0 117.293 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' ARG . . . . . 0.574 ' HB2' ' CZ ' ' B' ' 59' ' ' TYR . 25.1 mtt180 -109.97 143.78 39.45 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 115.412 -2.233 . . . . 0.0 110.95 174.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -87.17 130.34 34.58 Favored 'General case' 0 C--N 1.282 -2.366 0 N-CA-C 103.959 -2.608 . . . . 0.0 103.959 173.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 23' ' ' ILE . 5.5 mp -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 117.507 -1.235 . . . . 0.0 110.096 -175.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 0.654 ' O ' HD13 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -101.89 140.03 36.73 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.271 1.607 . . . . 0.0 109.903 -177.661 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.794 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.5 OUTLIER -48.19 -42.09 28.95 Favored 'General case' 0 C--O 1.263 1.765 0 N-CA-C 120.807 3.632 . . . . 0.0 120.807 -175.851 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.48 85.26 Favored Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 116.002 1.161 . . . . 0.0 116.002 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -85.64 165.24 17.17 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 120.181 -1.776 . . . . 0.0 107.966 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 43.4 p -104.24 164.43 11.73 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 177.03 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -36.46 79.52 Favored 'General case' 0 C--O 1.201 -1.49 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -29.77 70.96 Favored 'General case' 0 C--O 1.266 1.921 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.185 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -39.02 70.41 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.498 1.142 . . . . 0.0 110.809 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.973 ' OH ' ' O ' ' B' ' 45' ' ' PHE . 0.6 OUTLIER -91.09 4.44 52.14 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 117.648 -1.168 . . . . 0.0 112.931 179.147 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.11 45.22 18.0 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.644 2.02 . . . . 0.0 111.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 mt -88.68 116.27 30.06 Favored 'Isoleucine or valine' 0 C--O 1.269 2.114 0 CA-C-O 115.019 -2.419 . . . . 0.0 106.276 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 169.57 8.47 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 126.151 2.157 . . . . 0.0 109.716 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.11 143.0 28.58 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.176 1.465 . . . . 0.0 109.225 -176.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.14 19.07 10.44 Favored 'General case' 0 C--O 1.254 1.336 0 N-CA-C 117.8 2.519 . . . . 0.0 117.8 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.9 p -71.21 159.64 34.28 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.5 t -119.04 126.61 52.1 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 118.243 -0.885 . . . . 0.0 108.775 175.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 mt -103.15 154.61 19.12 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 114.685 -2.579 . . . . 0.0 105.714 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.68 135.84 46.37 Favored 'General case' 0 C--N 1.283 -2.286 0 O-C-N 127.572 3.045 . . . . 0.0 105.635 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tt -107.17 115.88 30.94 Favored 'General case' 0 C--O 1.284 2.872 0 CA-C-O 117.732 -1.128 . . . . 0.0 111.337 176.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.444 HG21 HG21 ' A' ' 66' ' ' THR . 24.4 t -108.14 139.85 28.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 175.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.794 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.5 0.37 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.082 0.468 . . . . 0.0 109.818 178.47 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.421 ' CB ' ' HA2' ' C' ' 101' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.276 -2.604 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.393 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 mttm . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.643 0.735 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.607 -178.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' C' ' 127' ' ' TYR . 0.1 OUTLIER -70.18 -39.69 75.1 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.647 0.737 . . . . 0.0 111.8 172.485 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.513 ' HB ' HG12 ' C' ' 49' ' ' ILE . 0.5 OUTLIER -144.29 136.05 21.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.247 1.419 . . . . 0.0 107.497 -178.201 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -144.28 148.03 34.31 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.541 165.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -160.96 155.29 23.13 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.159 0.912 . . . . 0.0 111.191 173.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -72.29 127.84 33.81 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.216 -1.356 . . . . 0.0 112.313 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-O 122.112 0.958 . . . . 0.0 110.088 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.84 25.21 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -109.14 -179.21 3.78 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.6 mtt -137.13 161.08 37.1 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' SER . . . . . 0.601 ' O ' HG22 ' C' ' 39' ' ' THR . 25.6 m -136.74 156.54 48.39 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.038 -1.465 . . . . 0.0 108.702 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mp -92.75 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -112.34 115.82 29.36 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.22 -116.04 8.62 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -113.97 14.56 18.47 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.369 -0.415 . . . . 0.0 109.962 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 30.1 p -112.04 122.53 48.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -172.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' VAL . . . . . 0.495 HG23 ' O ' ' C' ' 38' ' ' VAL . 27.6 m -76.17 120.07 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 174.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 39' ' ' THR . . . . . 0.601 HG22 ' O ' ' C' ' 32' ' ' SER . 1.3 t -124.12 119.31 26.51 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.17 -173.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.82 134.83 59.57 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 117.954 -0.898 . . . . 0.0 111.885 173.388 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -85.79 132.22 34.16 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 172.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.25 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -67.08 144.41 56.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -68.11 125.59 26.83 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.21 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.338 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mt -128.42 124.39 36.14 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 40.1 t -91.01 137.55 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.645 ' C ' HD13 ' C' ' 49' ' ' ILE . 10.1 p90 -151.94 157.82 42.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.982 0.896 . . . . 0.0 113.024 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.645 HD13 ' C ' ' C' ' 48' ' ' TYR . 0.5 OUTLIER -118.83 131.09 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 113.58 -1.645 . . . . 0.0 108.363 174.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.58 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 51' ' ' GLN . . . . . 0.519 ' CB ' ' OH ' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -100.16 122.08 42.43 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.305 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -84.11 171.1 13.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.237 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -10.53 59.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.306 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.69 7.53 14.61 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.031 171.011 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.78 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.428 1.491 . . . . 0.0 114.808 -177.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 61.4 mt -74.89 149.94 39.33 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 122.201 1.001 . . . . 0.0 113.008 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mt -102.26 129.11 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.143 -177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.0 m170 -117.62 125.32 50.55 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 59' ' ' PHE . . . . . 0.549 ' CE2' HG13 ' C' ' 124' ' ' VAL . 3.4 m-85 -98.78 118.96 36.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 171.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -127.63 156.82 41.7 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -171.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -130.51 128.37 41.05 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.622 169.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 134.31 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.775 -176.327 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.24 115.32 13.61 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -64.01 -32.42 73.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 55.6 p -72.54 -46.15 55.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -174.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.42 -20.55 21.67 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.578 -176.658 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.66 2.72 61.22 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-O 119.708 -0.496 . . . . 0.0 113.713 -171.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -72.54 130.05 39.73 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.669 1.234 . . . . 0.0 113.107 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -84.23 109.11 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -94.48 -28.84 15.25 Favored 'General case' 0 C--O 1.206 -1.222 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.999 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.96 135.54 54.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.849 0.833 . . . . 0.0 109.436 177.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -155.05 103.32 2.38 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 104.515 -2.402 . . . . 0.0 104.515 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.04 123.25 45.23 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.285 -1.325 . . . . 0.0 109.236 -174.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 74' ' ' ILE . . . . . 0.419 ' C ' HD13 ' C' ' 75' ' ' ILE . 1.3 pp -75.86 124.31 33.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.401 1.096 . . . . 0.0 111.668 168.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.789 HG21 HD12 ' C' ' 128' ' ' LEU . 3.9 mm -122.98 130.32 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.607 -174.386 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -101.25 159.06 30.56 Favored Pre-proline 0 C--O 1.24 0.595 0 O-C-N 124.489 1.118 . . . . 0.0 110.899 173.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.36 133.95 58.66 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.916 2.411 . . . . 0.0 111.259 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.78 5.88 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 -175.76 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.4 -33.62 71.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 119.038 0.835 . . . . 0.0 109.647 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 168.22 27.67 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.442 -1.303 . . . . 0.0 113.605 -173.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -133.47 139.31 46.6 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.519 -1.673 . . . . 0.0 106.992 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.43 ' HB2' HG11 ' C' ' 124' ' ' VAL . 74.9 t80 -106.71 124.16 49.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -148.5 156.5 42.54 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 142.86 56.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.379 177.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -94.28 98.27 2.83 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -60.99 -32.0 91.91 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.786 2.187 . . . . 0.0 117.786 -167.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.1 8.65 34.48 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.931 -1.508 . . . . 0.0 112.225 -164.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 88' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 25.2 p -85.08 119.72 72.78 Favored Pre-proline 0 CA--C 1.515 -0.381 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -57.0 -19.81 34.16 Favored 'Trans proline' 0 C--N 1.346 0.443 0 O-C-N 122.982 0.991 . . . . 0.0 114.42 -173.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 88.5 p -65.59 -34.63 78.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.369 0.532 . . . . 0.0 110.036 178.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.58 12.92 64.88 Favored Glycine 0 CA--C 1.506 -0.511 0 O-C-N 123.989 0.806 . . . . 0.0 111.492 -172.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -120.93 17.1 11.77 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 31.8 t -97.01 133.41 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.152 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -125.0 151.79 45.08 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.479 1.737 . . . . 0.0 110.428 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.0 p -127.02 135.44 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -95.58 108.12 20.36 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 169.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 125.23 52.02 Favored 'General case' 0 CA--C 1.486 -1.509 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -171.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -84.84 115.72 22.9 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.142 0.901 . . . . 0.0 109.205 176.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -25.18 68.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.353 -169.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.27 115.23 28.98 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 173.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 101' ' ' GLY . . . . . 0.525 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.85 172.42 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.732 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -91.39 9.0 33.51 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.069 -0.665 . . . . 0.0 110.561 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -70.59 129.15 38.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.588 -165.056 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.02 141.86 46.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.919 175.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mp -124.62 126.2 45.38 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 171.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.92 143.65 30.82 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.698 1.249 . . . . 0.0 110.316 -177.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -137.04 156.72 48.06 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.297 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -131.44 126.57 35.4 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.413 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 2.5 mmt -62.65 137.81 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.306 -174.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -118.91 4.05 11.49 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.627 -1.169 . . . . 0.0 110.258 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.3 135.87 93.87 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.118 1.437 . . . . 0.0 108.671 172.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.31 -41.31 42.74 Favored 'Trans proline' 0 C--O 1.247 0.953 0 C-N-CA 117.539 -1.174 . . . . 0.0 112.434 -174.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.12 146.94 24.24 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 121.148 0.499 . . . . 0.0 110.536 173.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.3 t -83.39 -9.31 59.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.216 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -33.81 55.9 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.17 5.79 37.99 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -174.808 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -56.92 -48.74 77.54 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.926 -1.11 . . . . 0.0 110.312 -177.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -32.2 70.49 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.56 -173.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -43.99 80.01 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.59 -45.87 77.33 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.952 -1.093 . . . . 0.0 112.314 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -43.05 97.98 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 121.657 0.742 . . . . 0.0 110.291 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.54 98.63 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.05 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -64.16 -42.33 96.78 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 124' ' ' VAL . . . . . 0.549 HG13 ' CE2' ' C' ' 59' ' ' PHE . 1.8 t -52.31 -51.91 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.41 175.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.37 -39.48 87.41 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -46.03 82.19 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.44 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 127' ' ' TYR . . . . . 0.598 ' HD1' ' HB ' ' C' ' 49' ' ' ILE . 11.7 t80 -79.03 -24.56 43.56 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.436 -0.905 . . . . 0.0 112.405 -174.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.789 HD12 HG21 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -78.96 -36.15 42.02 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.765 -0.774 . . . . 0.0 112.278 174.477 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 129' ' ' ASN . . . . . 0.614 ' HB3' HD23 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.69 -11.1 14.45 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -168.577 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -141.17 71.8 27.44 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 169.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -82.85 170.59 12.45 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.65 1.566 . . . . 0.0 111.644 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--N 1.289 -2.589 0 C-N-CA 122.544 2.162 . . . . 0.0 111.597 179.75 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.932 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -91.1 138.23 31.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 126.841 2.588 . . . . 0.0 108.858 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.598 HD11 HD22 ' A' ' 15' ' ' LEU . 2.1 pp -131.31 163.01 38.26 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.387 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 173.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.96 140.16 49.53 Favored 'General case' 0 N--CA 1.513 2.676 1 O-C-N 130.557 4.911 . . . . 0.0 108.773 179.696 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -118.03 114.25 44.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-O 113.422 -3.18 . . . . 0.0 105.614 175.77 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.19 127.5 41.29 Favored 'General case' 0 N--CA 1.504 2.265 1 O-C-N 129.269 4.105 . . . . 0.0 107.96 -178.118 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.62 170.73 8.38 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.883 -1.056 . . . . 0.0 109.325 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.413 HD21 ' OD1' ' C' ' 78' ' ' ASP . 0.0 OUTLIER -73.28 -7.0 49.63 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.093 0.871 . . . . 0.0 112.653 -177.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -101.58 15.04 30.14 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.634 -2.427 . . . . 0.0 111.945 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.71 80.14 Favored Glycine 0 C--N 1.297 -1.592 0 O-C-N 120.262 -1.524 . . . . 0.0 116.057 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -96.44 138.14 34.47 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 174.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.9 p -119.98 131.66 55.24 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 126.608 2.443 . . . . 0.0 105.93 176.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.449 ' HB ' HG13 ' A' ' 5' ' ' VAL . 17.8 mm -109.57 141.93 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 127.637 3.086 . . . . 0.0 108.823 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -101.31 139.64 36.71 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 117.19 -1.804 . . . . 0.0 108.237 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -126.38 154.09 44.05 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 115.449 -2.215 . . . . 0.0 108.29 -179.215 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -111.86 121.02 43.91 Favored 'General case' 0 N--CA 1.5 2.028 1 O-C-N 129.215 4.072 . . . . 0.0 103.608 173.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -138.89 170.62 16.01 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 O-C-N 127.589 3.056 . . . . 0.0 111.297 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -119.93 144.5 37.58 Favored Pre-proline 0 C--N 1.315 -0.931 0 CA-C-N 112.423 -2.171 . . . . 0.0 106.342 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.93 -24.42 39.17 Favored 'Trans proline' 0 C--N 1.321 -0.919 0 C-N-CA 122.553 2.169 . . . . 0.0 111.979 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 p -79.95 -8.25 59.23 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 117.919 -1.039 . . . . 0.0 110.838 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.471 ' OD2' HG12 ' A' ' 26' ' ' VAL . 17.0 p-10 -71.0 148.45 47.62 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 117.372 -1.731 . . . . 0.0 109.86 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.661 ' O ' HG13 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -83.72 160.46 21.28 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.808 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.61 ' O ' HG22 ' A' ' 26' ' ' VAL . 21.0 mm -61.39 -37.15 77.04 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 O-C-N 127.17 2.794 . . . . 0.0 110.233 175.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -40.08 78.25 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.317 -0.865 . . . . 0.0 110.813 177.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.32 -41.98 80.03 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 121.967 -0.458 . . . . 0.0 110.937 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 22' ' ' THR . 0.9 OUTLIER -58.22 -46.4 88.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 O-C-N 124.345 1.028 . . . . 0.0 109.226 178.166 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 84.0 mttt -60.85 -37.95 83.85 Favored 'General case' 0 C--O 1.259 1.585 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.7 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.05 87.02 Favored 'General case' 0 C--O 1.277 2.512 0 CA-C-N 118.197 0.453 . . . . 0.0 111.13 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -37.45 87.48 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-O 123.081 1.42 . . . . 0.0 110.729 176.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.8 mt -70.01 -39.59 77.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.21 -48.73 78.71 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 125.547 2.594 . . . . 0.0 109.104 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -41.67 65.71 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.51 -1.677 . . . . 0.0 111.96 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 10.5 tttt -93.63 -24.33 17.94 Favored 'General case' 0 C--O 1.281 2.75 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 -175.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.3 -6.53 8.24 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 123.108 2.685 . . . . 0.0 114.276 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.7 89.97 Favored Glycine 0 CA--C 1.479 -2.209 0 N-CA-C 118.931 2.332 . . . . 0.0 118.931 176.533 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.454 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 31.3 mt -79.77 124.76 83.29 Favored Pre-proline 0 C--O 1.243 0.716 0 C-N-CA 118.876 -1.129 . . . . 0.0 110.913 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.8 Cg_exo -56.9 136.84 78.9 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.249 2.633 . . . . 0.0 110.827 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.1 Cg_exo -57.1 -32.0 91.99 Favored 'Trans proline' 0 C--O 1.264 1.782 0 O-C-N 123.009 1.005 . . . . 0.0 113.649 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -68.46 -15.33 63.51 Favored 'General case' 0 C--O 1.261 1.692 0 O-C-N 119.806 -1.809 . . . . 0.0 112.247 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -96.11 -10.2 28.88 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.689 -1.257 . . . . 0.0 111.954 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -84.91 129.59 34.78 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 124.351 2.024 . . . . 0.0 115.767 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.05 116.17 24.53 Favored 'General case' 0 C--O 1.299 3.688 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 171.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -103.5 130.12 50.81 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 119.501 1.046 . . . . 0.0 109.968 -177.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.408 HD11 ' HD2' ' C' ' 76' ' ' PHE . 0.9 OUTLIER -122.05 131.92 72.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 O-C-N 125.136 1.522 . . . . 0.0 111.797 -177.465 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HZ ' ' HG ' ' A' ' 65' ' ' SER . 10.1 t80 -144.48 129.52 18.53 Favored 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.547 ' H ' ' HE1' ' C' ' 98' ' ' PHE . . . 48.21 46.08 19.87 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 112.28 -2.236 . . . . 0.0 110.723 177.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.68 21.72 60.98 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 128.653 3.025 . . . . 0.0 117.449 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 46' ' ' ALA . 9.9 mtmt -115.05 142.76 46.21 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 177.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.79 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.527 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.48 138.05 37.43 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 117.61 -1.186 . . . . 0.0 110.204 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -101.81 140.12 36.52 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.036 1.46 . . . . 0.0 109.996 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -47.92 -42.66 27.78 Favored 'General case' 0 C--O 1.263 1.774 0 N-CA-C 120.781 3.622 . . . . 0.0 120.781 -175.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.53 -8.94 85.48 Favored Glycine 0 CA--C 1.491 -1.45 0 N-CA-C 116.204 1.242 . . . . 0.0 116.204 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -85.39 165.35 17.29 Favored 'General case' 0 C--O 1.251 1.174 0 O-C-N 119.858 -1.966 . . . . 0.0 108.017 176.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.0 p -104.49 164.81 11.49 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 176.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.524 ' CD2' HD13 ' A' ' 61' ' ' ILE . 26.8 mt -61.5 -36.02 79.33 Favored 'General case' 0 C--O 1.201 -1.453 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -64.31 -29.37 70.46 Favored 'General case' 0 C--O 1.267 2.013 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.12 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.55 -39.53 70.72 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.457 1.122 . . . . 0.0 110.757 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -90.77 4.63 51.1 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 117.782 -1.104 . . . . 0.0 113.044 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 m120 58.17 45.14 17.94 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 121.544 1.975 . . . . 0.0 111.193 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.524 HD13 ' CD2' ' A' ' 56' ' ' LEU . 5.0 mt -88.7 116.5 30.47 Favored 'Isoleucine or valine' 0 C--O 1.267 2.021 0 CA-C-O 115.124 -2.37 . . . . 0.0 106.247 175.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.56 169.7 8.38 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 126.111 2.132 . . . . 0.0 109.359 -176.685 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.9 142.94 27.67 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.249 1.499 . . . . 0.0 109.145 -176.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' HD22 ' B' ' 8' ' ' LEU . 1.0 OUTLIER 67.0 19.31 10.58 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 117.966 2.58 . . . . 0.0 117.966 179.381 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.462 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 1.1 m -71.25 159.58 34.37 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 174.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.588 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.6 OUTLIER -119.13 126.73 52.3 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 118.17 -0.919 . . . . 0.0 108.849 175.774 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.19 154.59 19.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 114.769 -2.538 . . . . 0.0 105.686 175.114 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -105.7 135.64 46.76 Favored 'General case' 0 C--N 1.287 -2.151 0 O-C-N 127.342 2.901 . . . . 0.0 105.813 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.4 tp -106.85 115.87 30.93 Favored 'General case' 0 C--O 1.286 2.984 0 CA-C-O 117.563 -1.208 . . . . 0.0 111.396 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.12 139.91 28.55 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 103.5 -2.778 . . . . 0.0 103.5 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mp -96.1 138.96 32.97 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.205 0.526 . . . . 0.0 109.82 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 . . . . . 0 C--N 1.279 -2.497 0 CA-C-O 113.162 -3.304 . . . . 0.0 105.518 178.65 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -91.0 138.52 31.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 127.112 2.758 . . . . 0.0 108.72 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' B' ' 65' ' ' SER . 7.8 tt -131.21 163.0 38.25 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.323 0 CA-C-O 115.735 -2.079 . . . . 0.0 105.917 173.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.88 140.16 49.51 Favored 'General case' 0 N--CA 1.514 2.74 1 O-C-N 130.669 4.981 . . . . 0.0 108.625 179.784 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.596 ' HA ' ' HG ' ' B' ' 67' ' ' LEU . 0.1 OUTLIER -117.9 114.04 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.852 175.486 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -95.11 127.59 41.28 Favored 'General case' 0 N--CA 1.503 2.188 1 O-C-N 129.228 4.08 . . . . 0.0 108.185 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p -99.51 170.88 8.3 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.78 -1.105 . . . . 0.0 109.298 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.588 HD23 ' OG1' ' A' ' 66' ' ' THR . 0.0 OUTLIER -73.37 -6.97 49.64 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 124.077 0.861 . . . . 0.0 112.811 -178.357 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.28 14.79 30.87 Favored 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 115.652 -2.419 . . . . 0.0 111.909 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.53 16.61 80.09 Favored Glycine 0 C--N 1.295 -1.73 0 O-C-N 120.167 -1.583 . . . . 0.0 115.977 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -96.21 137.92 34.58 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -119.85 131.84 55.4 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 126.328 2.268 . . . . 0.0 106.254 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.46 HG23 HG13 ' B' ' 5' ' ' VAL . 0.1 OUTLIER -109.51 141.8 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.726 3.141 . . . . 0.0 109.089 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 14' ' ' THR . . . . . 0.441 ' N ' HD12 ' B' ' 13' ' ' ILE . 9.2 m -101.17 139.94 36.16 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 117.035 -1.866 . . . . 0.0 108.324 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.9 mt -126.57 154.06 44.4 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 115.525 -2.179 . . . . 0.0 108.384 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.84 121.13 44.21 Favored 'General case' 0 N--CA 1.495 1.776 1 O-C-N 129.172 4.045 . . . . 0.0 103.518 174.094 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 17' ' ' VAL . . . . . 0.436 HG13 ' N ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -139.12 170.6 15.8 Favored 'Isoleucine or valine' 0 C--O 1.254 1.325 0 O-C-N 127.936 3.272 . . . . 0.0 111.217 -177.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 18' ' ' GLU . . . . . 0.436 ' N ' HG13 ' B' ' 17' ' ' VAL . 1.6 mp0 -119.96 144.51 37.65 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 112.112 -2.313 . . . . 0.0 106.426 174.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.83 -24.66 39.5 Favored 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 122.697 2.264 . . . . 0.0 111.562 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.3 p -79.93 -8.28 59.24 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.911 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.91 148.44 47.75 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 117.287 -1.765 . . . . 0.0 109.817 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.79 160.58 21.19 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 1.252 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.41 -36.81 75.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 126.928 2.643 . . . . 0.0 110.413 175.815 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -42.84 77.61 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 120.399 -1.438 . . . . 0.0 111.002 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -64.59 -44.5 90.42 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 124.191 0.996 . . . . 0.0 111.322 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -46.22 90.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.805 1.316 . . . . 0.0 109.046 178.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.76 -37.96 83.6 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.871 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -38.02 86.73 Favored 'General case' 0 C--O 1.277 2.536 0 O-C-N 123.319 0.387 . . . . 0.0 111.297 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -64.01 -37.46 87.51 Favored 'General case' 0 C--O 1.254 1.335 0 CA-C-O 122.97 1.366 . . . . 0.0 110.833 175.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.448 HD13 ' CD1' ' B' ' 69' ' ' LEU . 0.4 OUTLIER -69.68 -39.71 78.44 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -62.02 -48.86 78.41 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 125.518 2.58 . . . . 0.0 108.959 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -41.81 66.21 Favored 'General case' 0 C--O 1.257 1.484 0 CA-C-N 113.617 -1.629 . . . . 0.0 111.862 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.0 OUTLIER -93.4 -24.35 18.1 Favored 'General case' 0 C--O 1.28 2.704 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -175.842 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -123.66 -6.38 8.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 122.927 2.603 . . . . 0.0 113.771 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.6 90.01 Favored Glycine 0 CA--C 1.477 -2.301 0 N-CA-C 118.693 2.237 . . . . 0.0 118.693 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.498 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 12.4 mm -79.8 125.15 82.83 Favored Pre-proline 0 C--O 1.243 0.731 0 C-N-CA 118.64 -1.224 . . . . 0.0 111.111 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.2 Cg_exo -57.23 137.0 79.76 Favored 'Trans proline' 0 C--O 1.256 1.393 0 C-N-CA 122.961 2.441 . . . . 0.0 110.885 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 52.9 Cg_exo -57.11 -32.41 93.23 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 123.066 1.035 . . . . 0.0 113.33 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -15.51 63.61 Favored 'General case' 0 C--O 1.265 1.901 0 O-C-N 120.049 -1.657 . . . . 0.0 112.271 -177.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.662 ' HB3' HD21 ' B' ' 71' ' ' LEU . 14.7 mt-30 -95.57 -10.57 29.21 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.483 -1.386 . . . . 0.0 112.176 178.458 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -84.84 129.59 34.79 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 124.18 1.943 . . . . 0.0 115.742 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -121.08 116.09 24.35 Favored 'General case' 0 C--O 1.298 3.641 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 172.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 mt -103.6 130.3 51.01 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.504 1.047 . . . . 0.0 109.927 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.509 ' C ' ' CD2' ' B' ' 45' ' ' PHE . 4.3 mp -122.07 131.59 72.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 O-C-N 125.149 1.531 . . . . 0.0 111.982 -177.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' PHE . . . . . 0.729 ' N ' ' CD2' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.17 129.8 19.14 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 177.453 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.9 19.64 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 111.981 -2.372 . . . . 0.0 110.66 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.01 20.09 59.79 Favored Glycine 0 C--N 1.299 -1.502 0 C-N-CA 128.151 2.786 . . . . 0.0 117.355 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.89 143.83 39.25 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 115.342 -2.266 . . . . 0.0 110.94 174.242 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.09 130.34 34.54 Favored 'General case' 0 C--N 1.28 -2.443 0 N-CA-C 103.961 -2.607 . . . . 0.0 103.961 173.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' B' ' 45' ' ' PHE . 36.0 tp -79.59 138.34 37.41 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 117.553 -1.213 . . . . 0.0 110.112 -175.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLU . . . . . 1.252 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -101.82 140.02 36.67 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 125.23 1.581 . . . . 0.0 110.022 -177.697 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.903 ' HA ' HG12 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -48.3 -42.09 29.97 Favored 'General case' 0 C--O 1.261 1.71 0 N-CA-C 120.769 3.618 . . . . 0.0 120.769 -175.724 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.17 -8.48 85.39 Favored Glycine 0 CA--C 1.493 -1.319 0 N-CA-C 116.0 1.16 . . . . 0.0 116.0 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' ARG . . . . . 0.807 ' O ' HG22 ' B' ' 23' ' ' ILE . 0.9 OUTLIER -85.63 165.36 17.08 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.133 -1.804 . . . . 0.0 107.973 176.394 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 23.5 p -104.47 164.57 11.65 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 177.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -36.4 79.62 Favored 'General case' 0 C--O 1.201 -1.459 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.295 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -63.7 -29.66 70.86 Favored 'General case' 0 C--O 1.267 1.982 0 C-N-CA 117.321 -1.752 . . . . 0.0 112.174 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -55.76 -38.99 70.57 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 122.562 1.172 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.578 ' HB3' HD11 ' B' ' 61' ' ' ILE . 4.0 m-85 -91.11 4.48 52.07 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 117.537 -1.221 . . . . 0.0 112.873 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.94 45.43 18.22 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 121.758 2.072 . . . . 0.0 111.244 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.578 HD11 ' HB3' ' B' ' 59' ' ' TYR . 14.8 mm -88.8 116.25 30.11 Favored 'Isoleucine or valine' 0 C--O 1.27 2.157 0 CA-C-O 115.122 -2.371 . . . . 0.0 106.263 175.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.38 169.63 8.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 126.103 2.127 . . . . 0.0 109.673 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 142.87 28.42 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.102 1.429 . . . . 0.0 109.246 -176.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.05 19.17 10.54 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 117.834 2.531 . . . . 0.0 117.834 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' SER . . . . . 0.428 ' O ' ' CG1' ' B' ' 3' ' ' ILE . 1.9 t -71.2 159.66 34.25 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 174.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -119.1 126.61 52.04 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 118.21 -0.9 . . . . 0.0 108.828 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 67' ' ' LEU . . . . . 0.596 ' HG ' ' HA ' ' B' ' 5' ' ' VAL . 3.3 pp -103.16 154.54 19.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 114.737 -2.554 . . . . 0.0 105.702 175.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.407 ' C ' HD12 ' B' ' 67' ' ' LEU . 3.3 m80 -105.56 135.91 46.11 Favored 'General case' 0 C--N 1.283 -2.291 0 O-C-N 127.608 3.067 . . . . 0.0 105.691 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' LEU . . . . . 0.448 ' CD1' HD13 ' B' ' 30' ' ' ILE . 0.5 OUTLIER -107.17 115.82 30.84 Favored 'General case' 0 C--O 1.284 2.884 0 CA-C-O 117.551 -1.214 . . . . 0.0 111.459 176.574 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 87.3 t -108.17 139.81 29.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.662 HD21 ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -95.97 -83.51 0.37 Allowed 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.072 0.463 . . . . 0.0 109.814 178.374 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 45.1 ttp85 . . . . . 0 C--N 1.277 -2.574 0 CA-C-O 113.432 -3.175 . . . . 0.0 105.529 179.396 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.559 0.695 . . . . 0.0 110.708 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -89.12 137.93 31.88 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.589 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.19 -39.65 75.09 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.635 0.731 . . . . 0.0 111.8 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 t -144.36 136.02 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 107.47 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -144.26 148.08 34.4 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.557 165.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -161.03 155.22 22.87 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.243 0.964 . . . . 0.0 111.198 173.124 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.29 127.79 33.65 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.351 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.14 147.63 6.76 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.062 0.934 . . . . 0.0 110.098 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.92 164.82 25.21 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 108.301 -1.92 . . . . 0.0 108.301 175.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.08 -179.25 3.8 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 31' ' ' MET . . . . . 0.757 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.5 mpt? -137.12 161.02 37.26 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 32' ' ' SER . . . . . 0.591 ' O ' HG22 ' C' ' 39' ' ' THR . 0.5 OUTLIER -136.66 156.56 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.079 -1.448 . . . . 0.0 108.743 177.383 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.75 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.04 8.6 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -169.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.01 14.6 18.43 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.383 -0.409 . . . . 0.0 109.995 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 60.0 m -112.02 122.47 47.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 91.1 t -76.05 120.02 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' THR . . . . . 0.591 HG22 ' O ' ' C' ' 32' ' ' SER . 1.2 t -124.09 119.29 26.55 Favored Pre-proline 0 C--O 1.245 0.852 0 C-N-CA 122.522 0.329 . . . . 0.0 110.193 -173.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 40' ' ' PRO . . . . . 0.757 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 31.8 Cg_exo -59.84 134.76 59.06 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 CA-C-O 122.348 0.895 . . . . 0.0 111.865 173.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -85.68 132.19 34.2 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 -11.26 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -172.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.97 144.41 56.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -173.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -68.18 125.58 26.84 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 171.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' GLY . . . . . 0.448 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.24 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.173 1.429 . . . . 0.0 115.377 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 14.5 tp -128.38 124.36 36.15 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 45.5 t -90.96 137.55 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 164.619 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.506 ' O ' HD13 ' C' ' 49' ' ' ILE . 19.0 p90 -151.9 157.73 42.22 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.973 0.892 . . . . 0.0 113.015 175.55 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.506 HD13 ' O ' ' C' ' 48' ' ' TYR . 5.5 mm -118.76 131.1 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.349 174.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -134.02 137.69 44.88 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -100.2 122.01 42.35 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 57.0 p -84.03 171.12 13.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.307 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.46 -10.55 59.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -82.63 7.36 14.92 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 121.275 -0.17 . . . . 0.0 110.981 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 33.9 t 73.87 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.417 1.487 . . . . 0.0 114.808 -177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 31.3 mt -74.96 150.02 39.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 119.172 -1.011 . . . . 0.0 113.048 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.25 129.1 54.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.145 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 7.3 m-70 -117.66 125.26 50.4 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -176.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -98.69 118.96 36.58 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 171.191 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 39.7 m -127.66 156.84 41.71 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 61' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.47 128.21 40.79 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.587 -1.642 . . . . 0.0 108.745 169.284 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.6 134.33 55.29 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.804 -176.348 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -74.18 115.27 13.48 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 173.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -63.94 -32.49 74.05 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 65' ' ' THR . . . . . 0.465 HG23 ' N ' ' C' ' 66' ' ' SER . 5.2 t -72.45 -46.17 56.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -175.043 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 66' ' ' SER . . . . . 0.465 ' N ' HG23 ' C' ' 65' ' ' THR . 0.1 OUTLIER -91.43 -20.54 21.68 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.497 -176.629 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 2.6 60.85 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.668 -0.518 . . . . 0.0 113.677 -171.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -72.44 130.0 39.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.724 1.262 . . . . 0.0 113.194 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 17.6 t -84.18 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.45 -28.92 15.22 Favored 'General case' 0 C--O 1.206 -1.232 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.98 -171.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -121.95 135.54 54.87 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.778 0.799 . . . . 0.0 109.413 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.98 103.32 2.39 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 tp -118.04 123.28 45.28 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.287 -174.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.89 124.28 33.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.392 1.091 . . . . 0.0 111.715 168.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.99 130.31 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.401 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.635 -174.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 76' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' C' ' 79' ' ' ASP . 8.6 m-85 -101.26 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.321 1.013 . . . . 0.0 110.885 173.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.25 133.86 57.87 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.962 2.441 . . . . 0.0 111.31 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 78' ' ' ASP . . . . . 0.413 ' OD1' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER 69.55 6.74 5.86 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 -175.69 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 79' ' ' ASP . . . . . 0.599 ' O ' ' CD2' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -70.4 -33.63 71.6 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.975 0.807 . . . . 0.0 109.558 176.863 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' C' ' 97' ' ' LYS . 1.7 p -154.86 168.2 27.72 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.651 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -133.43 139.34 46.67 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.534 -1.666 . . . . 0.0 106.998 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -106.75 124.14 49.18 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -148.5 156.47 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -67.75 142.81 56.14 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.416 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 73.6 t -94.22 98.43 2.91 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 171.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -61.12 -31.96 90.97 Favored 'Trans proline' 0 N--CA 1.476 0.478 0 N-CA-C 117.747 2.172 . . . . 0.0 117.747 -167.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -91.07 8.66 34.36 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.915 -1.514 . . . . 0.0 112.202 -164.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.14 119.63 72.64 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 174.513 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.91 -19.88 33.85 Favored 'Trans proline' 0 C--N 1.347 0.462 0 O-C-N 123.005 1.003 . . . . 0.0 114.456 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -34.66 78.79 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.378 0.535 . . . . 0.0 110.071 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.04 64.87 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.528 -172.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -120.99 17.08 11.72 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 70.1 t -97.05 133.38 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 173.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -124.97 151.79 45.03 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.463 1.727 . . . . 0.0 110.398 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 1.6 m -127.02 135.44 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 tt -95.47 108.08 20.28 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 169.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 97' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' C' ' 80' ' ' CYS . 0.0 OUTLIER -109.17 125.16 51.91 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -171.143 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.777 ' CD1' ' O ' ' C' ' 100' ' ' ALA . 11.8 t80 -84.85 115.66 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.154 0.909 . . . . 0.0 109.209 176.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -63.43 -25.07 68.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.432 -169.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 100' ' ' ALA . . . . . 0.777 ' O ' ' CD1' ' C' ' 98' ' ' PHE . . . -111.33 115.13 28.78 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.92 172.39 27.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -91.38 9.08 33.13 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.026 -0.69 . . . . 0.0 110.551 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -70.66 129.17 38.47 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 117.935 -1.506 . . . . 0.0 110.56 -165.046 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.73 46.17 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.938 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -124.5 126.21 45.49 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 106' ' ' PHE . . . . . 0.439 ' C ' ' SD ' ' C' ' 31' ' ' MET . 2.2 m-85 -100.94 143.68 30.79 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 124.698 1.249 . . . . 0.0 110.281 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -137.09 156.68 48.08 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.27 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.48 126.53 35.24 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.408 175.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.6 137.74 58.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.272 -174.705 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -118.89 3.99 11.51 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.256 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.19 135.87 93.69 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.117 1.436 . . . . 0.0 108.703 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.32 -41.34 42.48 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.561 -1.16 . . . . 0.0 112.44 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.11 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.7 t -83.39 -9.31 59.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.216 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -33.81 55.9 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -103.24 5.82 37.8 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -174.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -56.8 -48.86 76.99 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.309 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -32.27 70.71 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.556 -173.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -44.08 80.3 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 175.468 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -55.58 -45.88 77.31 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.025 -1.047 . . . . 0.0 112.355 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -43.04 97.8 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.677 0.751 . . . . 0.0 110.352 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -43.44 98.84 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.086 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -64.23 -42.37 96.59 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 40.9 t -52.23 -51.9 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.452 175.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 125' ' ' ASN . . . . . 0.518 ' HA ' HD23 ' C' ' 128' ' ' LEU . 22.7 m-20 -60.41 -39.5 87.62 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -46.1 81.94 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.437 -178.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -78.95 -24.45 43.91 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.495 -0.882 . . . . 0.0 112.44 -174.626 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.0 -36.18 41.67 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 119.796 -0.761 . . . . 0.0 112.243 174.429 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 129' ' ' ASN . . . . . 0.465 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 38.1 t30 -110.71 -11.12 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -168.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -141.23 71.92 27.1 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 169.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -78.98 167.88 21.44 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.677 1.585 . . . . 0.0 111.631 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 C--N 1.291 -2.489 0 C-N-CA 122.498 2.132 . . . . 0.0 111.608 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.7 mmt . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -91.12 138.22 31.77 Favored 'General case' 0 C--O 1.264 1.846 0 O-C-N 126.775 2.547 . . . . 0.0 108.865 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -131.25 163.05 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.361 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.483 ' CE1' HG22 ' A' ' 14' ' ' THR . 0.3 OUTLIER -115.98 140.22 49.47 Favored 'General case' 0 N--CA 1.513 2.697 1 O-C-N 130.564 4.915 . . . . 0.0 108.75 179.688 . . . . . . . . 4 4 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -118.09 114.21 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-O 113.35 -3.214 . . . . 0.0 105.61 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -95.11 127.55 41.26 Favored 'General case' 0 N--CA 1.506 2.369 1 O-C-N 129.408 4.192 . . . . 0.0 107.906 -178.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -99.61 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.369 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.31 -7.04 49.87 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 124.144 0.902 . . . . 0.0 112.701 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -101.54 15.05 30.1 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.654 -2.418 . . . . 0.0 111.998 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 16.81 80.16 Favored Glycine 0 C--N 1.296 -1.647 0 O-C-N 120.35 -1.469 . . . . 0.0 116.081 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 138.1 34.6 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 174.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.99 131.58 55.2 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 126.652 2.47 . . . . 0.0 105.907 176.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.5 142.03 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 127.653 3.096 . . . . 0.0 108.911 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.483 HG22 ' CE1' ' A' ' 4' ' ' PHE . 1.2 p -101.41 139.74 36.66 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 117.157 -1.817 . . . . 0.0 108.188 178.187 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD21 HD13 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -126.49 154.03 44.32 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 115.408 -2.234 . . . . 0.0 108.245 -179.149 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -111.82 120.97 43.76 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.28 4.112 . . . . 0.0 103.781 173.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.9 170.69 15.91 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 O-C-N 127.634 3.083 . . . . 0.0 111.111 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.98 144.43 37.51 Favored Pre-proline 0 C--N 1.314 -0.944 0 CA-C-N 112.317 -2.22 . . . . 0.0 106.328 174.717 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -55.0 -24.28 39.0 Favored 'Trans proline' 0 C--N 1.32 -0.974 0 C-N-CA 122.537 2.158 . . . . 0.0 111.973 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -80.04 -8.17 59.23 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.925 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.09 148.5 47.42 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 117.392 -1.723 . . . . 0.0 109.722 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.73 160.48 21.27 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.81 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 1.252 HG21 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.43 -37.13 77.02 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 O-C-N 127.172 2.795 . . . . 0.0 110.272 175.796 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -40.19 78.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.363 -0.835 . . . . 0.0 110.706 177.005 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.29 -41.92 80.24 Favored 'General case' 0 C--O 1.262 1.762 0 O-C-N 121.809 -0.557 . . . . 0.0 110.949 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.27 -46.39 88.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 O-C-N 124.425 1.078 . . . . 0.0 109.173 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.818 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 19.4 mtmt -60.92 -37.96 84.11 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 118.806 -0.616 . . . . 0.0 110.577 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.623 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.08 -38.17 87.61 Favored 'General case' 0 C--O 1.276 2.499 0 CA-C-N 118.227 0.467 . . . . 0.0 111.125 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -37.48 87.58 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 120.438 -1.414 . . . . 0.0 110.676 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.416 HD13 HD21 ' A' ' 15' ' ' LEU . 15.6 mm -69.96 -39.56 77.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.13 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 1.193 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -62.25 -48.68 78.86 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 125.498 2.57 . . . . 0.0 109.101 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -41.78 65.92 Favored 'General case' 0 C--O 1.254 1.302 0 CA-C-N 113.491 -1.686 . . . . 0.0 111.891 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -93.59 -24.21 18.02 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 -175.803 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -123.47 -6.41 8.15 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 123.147 2.703 . . . . 0.0 114.241 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.7 89.97 Favored Glycine 0 CA--C 1.478 -2.27 0 N-CA-C 118.899 2.32 . . . . 0.0 118.899 176.411 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.193 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 16.8 mm -79.78 124.76 83.27 Favored Pre-proline 0 C--O 1.244 0.807 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.97 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.8 Cg_exo -56.94 136.84 79.0 Favored 'Trans proline' 0 C--O 1.258 1.513 0 C-N-CA 123.287 2.658 . . . . 0.0 110.863 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.785 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 27.2 Cg_exo -57.13 -31.94 91.91 Favored 'Trans proline' 0 C--O 1.262 1.724 0 O-C-N 122.993 0.996 . . . . 0.0 113.676 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.53 -15.29 63.49 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 119.959 -1.713 . . . . 0.0 112.226 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.93 -10.37 28.89 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.674 -1.266 . . . . 0.0 112.059 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -84.81 129.55 34.8 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 124.378 2.037 . . . . 0.0 115.711 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.421 ' HB2' HG13 ' A' ' 70' ' ' VAL . 7.3 mtp180 -120.97 116.1 24.44 Favored 'General case' 0 C--O 1.3 3.717 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 171.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.51 130.2 50.85 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 119.496 1.043 . . . . 0.0 109.908 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.598 ' O ' HG13 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -122.04 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 O-C-N 125.199 1.562 . . . . 0.0 111.861 -177.532 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . 0.493 ' N ' HD12 ' A' ' 44' ' ' ILE . 9.8 t80 -144.43 129.62 18.68 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.06 19.51 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 112.2 -2.273 . . . . 0.0 110.778 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.66 61.0 Favored Glycine 0 N--CA 1.432 -1.591 0 C-N-CA 128.596 2.998 . . . . 0.0 117.462 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -115.02 142.76 46.19 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.78 130.35 34.58 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 103.771 -2.677 . . . . 0.0 103.771 174.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.63 138.13 37.32 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.118 -175.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 1.252 ' O ' HG21 ' A' ' 23' ' ' ILE . 33.9 mm-40 -101.77 140.08 36.53 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 125.158 1.536 . . . . 0.0 110.017 -177.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.822 ' O ' HG23 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -47.93 -42.57 27.6 Favored 'General case' 0 C--O 1.264 1.831 0 N-CA-C 120.792 3.627 . . . . 0.0 120.792 -175.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.55 -8.92 85.48 Favored Glycine 0 CA--C 1.489 -1.56 0 N-CA-C 116.272 1.269 . . . . 0.0 116.272 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.8 ' O ' HG22 ' A' ' 23' ' ' ILE . 2.6 mmt85 -85.45 165.34 17.25 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 119.817 -1.99 . . . . 0.0 108.08 176.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -104.5 164.84 11.46 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 177.093 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.456 HD23 HG21 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -61.61 -36.01 79.51 Favored 'General case' 0 C--O 1.202 -1.396 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 177.321 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -29.52 70.66 Favored 'General case' 0 C--O 1.268 2.055 0 C-N-CA 117.375 -1.73 . . . . 0.0 112.225 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.6 -39.46 70.78 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 122.42 1.105 . . . . 0.0 110.686 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 60' ' ' ASN . 34.1 m-85 -90.84 4.65 51.2 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 117.662 -1.161 . . . . 0.0 112.939 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 0.7 OUTLIER 58.18 45.06 18.04 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 121.701 2.046 . . . . 0.0 111.226 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.456 HG21 HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -88.61 116.52 30.47 Favored 'Isoleucine or valine' 0 C--O 1.266 1.925 0 CA-C-O 115.221 -2.323 . . . . 0.0 106.178 175.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -103.59 169.66 8.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 126.012 2.07 . . . . 0.0 109.318 -176.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -54.87 142.89 27.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 123.259 1.504 . . . . 0.0 109.018 -176.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.54 ' O ' HD22 ' B' ' 8' ' ' LEU . 17.2 mm-40 67.06 19.21 10.52 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.7 p -71.18 159.5 34.55 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 174.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.13 126.76 52.38 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 118.209 -0.901 . . . . 0.0 108.865 175.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 mt -103.19 154.57 19.19 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 114.771 -2.538 . . . . 0.0 105.598 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -105.7 135.58 46.87 Favored 'General case' 0 C--N 1.287 -2.149 0 O-C-N 127.418 2.949 . . . . 0.0 105.815 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -106.8 115.81 30.84 Favored 'General case' 0 C--O 1.285 2.963 0 CA-C-O 117.64 -1.172 . . . . 0.0 111.518 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 42' ' ' ARG . 11.5 p -108.01 139.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 N-CA-C 103.58 -2.748 . . . . 0.0 103.58 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 71' ' ' LEU . 1.2 mm? -96.08 138.98 32.92 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.184 0.516 . . . . 0.0 109.86 178.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.538 0 CA-C-O 113.167 -3.302 . . . . 0.0 105.585 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.946 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -90.88 138.47 31.57 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 127.192 2.808 . . . . 0.0 108.774 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ILE . . . . . 0.523 HG23 ' N ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -131.09 163.09 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 CA-C-O 115.757 -2.068 . . . . 0.0 105.936 173.19 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.523 ' N ' HG23 ' B' ' 3' ' ' ILE . 19.5 m-30 -116.06 140.19 49.52 Favored 'General case' 0 N--CA 1.514 2.767 1 O-C-N 130.609 4.943 . . . . 0.0 108.564 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 5' ' ' VAL . . . . . 0.416 HG21 HD11 ' B' ' 15' ' ' LEU . 55.3 t -117.91 114.13 44.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-O 113.337 -3.22 . . . . 0.0 105.786 175.515 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.12 127.56 41.27 Favored 'General case' 0 N--CA 1.502 2.157 1 O-C-N 129.241 4.088 . . . . 0.0 108.176 -178.106 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.8 m -99.59 170.81 8.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.779 -1.105 . . . . 0.0 109.286 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LEU . . . . . 0.54 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -73.33 -6.97 49.56 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 124.159 0.912 . . . . 0.0 112.888 -178.293 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.22 14.82 30.76 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 115.652 -2.419 . . . . 0.0 112.038 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.73 80.07 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 120.285 -1.509 . . . . 0.0 116.045 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 137.87 34.76 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 174.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -119.9 131.87 55.37 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 126.423 2.327 . . . . 0.0 106.167 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -109.47 141.85 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 127.827 3.204 . . . . 0.0 109.14 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.9 t -101.23 139.89 36.29 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 117.017 -1.873 . . . . 0.0 108.364 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.416 HD11 HG21 ' B' ' 5' ' ' VAL . 33.5 mt -126.45 154.11 44.14 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.469 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.89 121.22 44.45 Favored 'General case' 0 N--CA 1.496 1.857 1 O-C-N 129.15 4.031 . . . . 0.0 103.47 174.052 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.12 170.62 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.201 0 O-C-N 127.767 3.167 . . . . 0.0 111.192 -177.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.12 144.62 38.17 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 112.051 -2.34 . . . . 0.0 106.297 174.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -54.9 -24.66 40.03 Favored 'Trans proline' 0 C--N 1.318 -1.053 0 C-N-CA 122.61 2.206 . . . . 0.0 111.618 177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 43.4 t -79.96 -8.21 59.21 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.878 -177.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.0 148.49 47.58 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 117.284 -1.766 . . . . 0.0 109.833 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.86 160.48 21.14 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 21.6 mm -61.42 -36.7 74.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 O-C-N 127.072 2.733 . . . . 0.0 110.446 175.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.2 -42.92 77.93 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 120.436 -1.415 . . . . 0.0 110.979 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.37 -44.54 91.06 Favored 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.304 1.042 . . . . 0.0 111.42 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.62 -46.27 90.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.903 1.377 . . . . 0.0 108.982 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -60.83 -37.95 83.79 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.858 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.02 86.97 Favored 'General case' 0 C--O 1.278 2.573 0 O-C-N 123.384 0.428 . . . . 0.0 111.31 176.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -64.14 -37.35 87.15 Favored 'General case' 0 C--O 1.254 1.29 0 O-C-N 120.428 -1.42 . . . . 0.0 110.802 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -39.77 78.3 Favored 'Isoleucine or valine' 0 C--O 1.255 1.361 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.91 -48.79 78.89 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 125.542 2.591 . . . . 0.0 109.1 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.45 -41.72 66.41 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.919 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -93.34 -24.45 18.11 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -175.919 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -123.66 -6.29 8.05 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 122.879 2.581 . . . . 0.0 113.778 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.05 5.54 90.06 Favored Glycine 0 CA--C 1.475 -2.459 0 N-CA-C 118.757 2.263 . . . . 0.0 118.757 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -79.95 125.06 82.71 Favored Pre-proline 0 C--O 1.242 0.673 0 C-N-CA 118.694 -1.202 . . . . 0.0 111.012 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 82.1 Cg_exo -57.06 137.03 80.12 Favored 'Trans proline' 0 C--O 1.256 1.392 0 C-N-CA 123.02 2.48 . . . . 0.0 110.835 178.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.8 Cg_exo -57.29 -32.2 93.05 Favored 'Trans proline' 0 C--O 1.261 1.658 0 O-C-N 122.999 0.999 . . . . 0.0 113.348 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.32 -15.6 63.62 Favored 'General case' 0 C--O 1.263 1.816 0 O-C-N 120.045 -1.66 . . . . 0.0 112.23 -177.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.806 ' HB3' HD11 ' B' ' 71' ' ' LEU . 71.2 mt-30 -95.35 -10.65 29.49 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.443 -1.41 . . . . 0.0 112.327 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -84.91 129.57 34.78 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 124.302 2.001 . . . . 0.0 115.688 -177.466 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -121.12 116.15 24.45 Favored 'General case' 0 C--O 1.298 3.613 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 172.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -103.57 130.22 50.95 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 119.513 1.051 . . . . 0.0 109.964 -177.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ILE . . . . . 0.521 HD11 ' O ' ' C' ' 99' ' ' LYS . 2.2 mt -122.03 131.58 72.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 125.065 1.478 . . . . 0.0 112.018 -177.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.16 129.8 19.15 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 177.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.99 19.54 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 112.051 -2.341 . . . . 0.0 110.69 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.12 59.54 Favored Glycine 0 C--N 1.298 -1.539 0 C-N-CA 128.202 2.811 . . . . 0.0 117.358 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.79 143.82 39.09 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 115.342 -2.266 . . . . 0.0 110.946 174.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . 0.551 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -87.11 130.24 34.59 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 173.294 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -79.58 138.43 37.45 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 117.603 -1.189 . . . . 0.0 110.068 -175.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.91 139.99 36.79 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 125.198 1.562 . . . . 0.0 109.903 -177.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.6 p30 -48.22 -42.05 29.06 Favored 'General case' 0 C--O 1.261 1.685 0 N-CA-C 120.815 3.635 . . . . 0.0 120.815 -175.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.45 85.29 Favored Glycine 0 CA--C 1.493 -1.304 0 N-CA-C 116.036 1.174 . . . . 0.0 116.036 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -85.65 165.4 17.03 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 120.176 -1.779 . . . . 0.0 107.967 176.365 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 30.3 p -104.43 164.41 11.76 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.421 HD22 HD13 ' B' ' 61' ' ' ILE . 10.1 mt -60.93 -36.44 79.33 Favored 'General case' 0 C--O 1.2 -1.542 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 177.173 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 8.3 p -63.66 -29.7 70.9 Favored 'General case' 0 C--O 1.266 1.963 0 C-N-CA 117.285 -1.766 . . . . 0.0 112.297 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.66 -39.12 70.48 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 122.513 1.149 . . . . 0.0 110.798 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' B' ' 60' ' ' ASN . 61.7 m-85 -91.0 4.45 52.03 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 117.539 -1.22 . . . . 0.0 112.881 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' B' ' 60' ' ' ASN . 0.6 OUTLIER 57.87 45.52 18.31 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 121.708 2.049 . . . . 0.0 111.305 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ILE . . . . . 0.421 HD13 HD22 ' B' ' 56' ' ' LEU . 6.7 mt -88.87 116.27 30.18 Favored 'Isoleucine or valine' 0 C--O 1.27 2.172 0 CA-C-O 115.05 -2.405 . . . . 0.0 106.189 175.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.41 169.57 8.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 126.153 2.158 . . . . 0.0 109.673 -176.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.91 142.96 27.63 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 123.175 1.464 . . . . 0.0 109.232 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 66.94 19.2 10.63 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 117.822 2.527 . . . . 0.0 117.822 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -71.09 159.55 34.5 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.9 t -119.01 126.54 51.97 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-O 118.238 -0.887 . . . . 0.0 108.842 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -103.1 154.6 19.11 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.611 -2.614 . . . . 0.0 105.763 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' HIS . . . . . 0.42 ' NE2' HG22 ' B' ' 70' ' ' VAL . 5.9 t60 -105.56 135.89 46.14 Favored 'General case' 0 C--N 1.283 -2.309 0 O-C-N 127.564 3.04 . . . . 0.0 105.693 177.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tt -107.17 115.79 30.8 Favored 'General case' 0 C--O 1.284 2.898 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.341 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 70' ' ' VAL . . . . . 0.452 HG13 HD21 ' B' ' 8' ' ' LEU . 76.4 t -108.1 140.0 28.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 103.468 -2.79 . . . . 0.0 103.468 175.134 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' LEU . . . . . 0.806 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.16 -83.35 0.37 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.035 0.445 . . . . 0.0 109.802 178.395 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 72' ' ' ARG . . . . . 0.599 ' HB3' ' HA2' ' C' ' 101' ' ' GLY . 14.9 tpp180 . . . . . 0 C--N 1.277 -2.572 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.513 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.643 0.735 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.03 137.83 31.96 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.583 -178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.12 -39.61 75.34 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.922 172.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 97.2 t -144.38 136.08 21.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.203 1.401 . . . . 0.0 107.457 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -144.3 148.06 34.32 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.573 165.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -160.98 155.19 22.95 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.172 0.92 . . . . 0.0 111.198 173.158 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.23 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.331 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.14 147.71 6.79 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.023 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.96 164.89 25.21 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.235 -1.946 . . . . 0.0 108.235 175.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 -179.24 3.78 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 7.8 mtt -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' SER . . . . . 0.473 ' CB ' ' HZ3' ' C' ' 34' ' ' LYS . 0.9 OUTLIER -136.62 156.49 48.48 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.098 -1.441 . . . . 0.0 108.704 177.409 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 33' ' ' LEU . . . . . 0.915 ' O ' HD22 ' C' ' 33' ' ' LEU . 0.0 OUTLIER -92.67 116.17 28.77 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 177.242 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 34' ' ' LYS . . . . . 0.473 ' HZ3' ' CB ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -112.38 115.84 29.37 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.922 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.09 8.66 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -113.95 14.57 18.49 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.331 -0.434 . . . . 0.0 109.981 178.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 75.3 m -112.04 122.51 47.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -76.14 120.02 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.1 119.35 26.53 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.231 -173.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.86 134.86 59.62 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.924 -0.917 . . . . 0.0 111.827 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -85.76 132.19 34.18 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 172.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -11.2 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.275 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.13 144.45 56.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 -173.07 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 125.6 26.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 45' ' ' GLY . . . . . 0.445 ' HA3' ' HE1' ' C' ' 61' ' ' TRP . . . -132.37 171.22 21.6 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.204 1.447 . . . . 0.0 115.321 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tp -128.39 124.4 36.24 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -90.97 137.51 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 164.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -151.85 157.83 42.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.963 0.887 . . . . 0.0 112.999 175.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 49' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 9.9 mt -118.81 131.09 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.567 -1.651 . . . . 0.0 108.325 174.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.58 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.12 122.08 42.42 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 170.303 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -84.05 171.08 13.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.298 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -10.47 59.82 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 119.641 -0.824 . . . . 0.0 113.198 -170.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -82.65 7.41 14.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.017 171.011 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.9 -1.33 3.1 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.49 1.516 . . . . 0.0 114.665 -177.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.82 149.91 39.46 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 122.18 0.991 . . . . 0.0 113.111 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 19.4 mm -102.29 129.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.143 -177.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 58' ' ' HIS . . . . . 0.465 ' CE1' HD12 ' C' ' 74' ' ' ILE . 1.5 m80 -117.48 125.27 50.62 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -176.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -98.79 118.98 36.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 19.1 m -127.65 156.84 41.7 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -171.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 61' ' ' TRP . . . . . 0.445 ' HE1' ' HA3' ' C' ' 45' ' ' GLY . 67.0 t90 -130.43 128.26 40.95 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.755 169.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.68 134.28 55.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.11 -1.405 . . . . 0.0 109.773 -176.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.21 115.3 13.55 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -32.39 73.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.259 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.51 -46.08 56.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -175.044 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -20.4 21.75 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.551 -176.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.51 2.67 60.52 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.743 -0.476 . . . . 0.0 113.748 -171.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -72.44 129.99 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.711 1.256 . . . . 0.0 113.195 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 69' ' ' VAL . . . . . 0.409 HG12 ' H ' ' C' ' 69' ' ' VAL . 0.8 OUTLIER -84.17 109.16 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.426 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -94.5 -28.84 15.24 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.999 -171.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -121.99 135.63 54.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.82 0.819 . . . . 0.0 109.383 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.1 103.22 2.36 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 -178.199 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.0 123.24 45.23 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.304 -174.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 74' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' C' ' 58' ' ' HIS . 3.5 mm -75.77 124.24 33.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.39 1.091 . . . . 0.0 111.729 168.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 75' ' ' ILE . . . . . 0.472 HD12 ' OD2' ' C' ' 79' ' ' ASP . 24.8 mm -122.94 130.3 74.56 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.386 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.669 -174.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 76' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -101.25 158.94 30.84 Favored Pre-proline 0 C--O 1.24 0.576 0 O-C-N 124.376 1.048 . . . . 0.0 110.885 173.695 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 77' ' ' PRO . . . . . 0.421 ' O ' ' CZ ' ' C' ' 76' ' ' PHE . 52.1 Cg_exo -54.28 133.88 58.04 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.319 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.53 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 79' ' ' ASP . . . . . 0.472 ' OD2' HD12 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -70.48 -33.48 71.3 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.01 0.823 . . . . 0.0 109.584 176.828 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 80' ' ' CYS . . . . . 0.487 ' HG ' ' HE1' ' C' ' 82' ' ' PHE . 18.1 p -154.97 168.1 28.1 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.582 -173.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -133.38 139.33 46.72 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 113.473 -1.694 . . . . 0.0 107.009 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 82' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' C' ' 128' ' ' LEU . 2.6 m-85 -106.78 124.24 49.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -148.56 156.47 42.48 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -177.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -67.79 142.73 56.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 70.0 t -94.19 98.36 2.85 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 171.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.02 -31.88 91.67 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 N-CA-C 117.809 2.196 . . . . 0.0 117.809 -167.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.15 8.59 34.93 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 117.983 -1.487 . . . . 0.0 112.207 -164.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 17.0 m -85.01 119.65 72.77 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -56.85 -19.98 33.92 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 122.99 0.995 . . . . 0.0 114.467 -173.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -34.57 78.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.347 0.521 . . . . 0.0 110.062 178.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 13.04 64.8 Favored Glycine 0 CA--C 1.505 -0.549 0 O-C-N 123.963 0.789 . . . . 0.0 111.528 -172.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -120.99 17.07 11.72 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.04 133.4 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 94' ' ' TYR . . . . . 0.767 ' CD2' ' HB2' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -124.98 151.83 44.99 Favored 'General case' 0 CA--C 1.501 -0.941 0 O-C-N 125.467 1.729 . . . . 0.0 110.479 178.615 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 95' ' ' VAL . . . . . 0.561 ' N ' ' CD1' ' C' ' 94' ' ' TYR . 2.6 p -127.02 135.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 96' ' ' LEU . . . . . 0.561 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 0.0 OUTLIER -95.5 108.14 20.35 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 169.083 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -109.25 125.13 51.94 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -171.055 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 98' ' ' PHE . . . . . 0.561 ' HE1' HD11 ' C' ' 96' ' ' LEU . 6.5 m-30 -84.74 115.58 22.78 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.071 0.857 . . . . 0.0 109.226 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 99' ' ' LYS . . . . . 0.551 ' HA ' ' HB2' ' B' ' 49' ' ' GLN . 3.0 ttpp -63.37 -25.13 68.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.397 -169.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.32 115.16 28.83 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 173.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 101' ' ' GLY . . . . . 0.599 ' HA2' ' HB3' ' B' ' 72' ' ' ARG . . . 101.92 172.37 27.7 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 42.2 p -91.35 9.09 33.05 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.058 -0.672 . . . . 0.0 110.601 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 129.2 38.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.897 -1.521 . . . . 0.0 110.602 -165.059 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.72 46.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.967 175.822 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -124.51 126.24 45.53 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -100.9 143.63 30.81 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 124.698 1.249 . . . . 0.0 110.256 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 107' ' ' PHE . . . . . 0.767 ' HB2' ' CD2' ' C' ' 94' ' ' TYR . 8.1 m-85 -137.09 156.66 48.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.234 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -131.47 126.61 35.47 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.397 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.69 137.77 58.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.257 -174.663 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -118.82 3.93 11.56 Favored 'General case' 0 N--CA 1.428 -1.534 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.31 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.31 135.95 93.92 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.107 1.432 . . . . 0.0 108.685 172.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.25 -41.39 42.63 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.08 146.93 24.23 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.487 173.682 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.2 m -83.37 -9.3 59.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.221 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -33.77 56.17 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -169.738 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -103.23 5.83 37.84 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.307 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.29 70.64 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.527 -173.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -44.06 80.35 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.833 0.349 . . . . 0.0 110.882 175.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -55.65 -45.84 77.58 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.069 -1.02 . . . . 0.0 112.299 173.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 121' ' ' CYS . . . . . 0.806 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 0.5 OUTLIER -60.59 -43.07 97.81 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.677 0.751 . . . . 0.0 110.352 178.949 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -43.38 98.96 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.124 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -64.23 -42.38 96.57 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 124' ' ' VAL . . . . . 0.806 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 6.3 m -52.22 -51.94 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.422 175.476 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 125' ' ' ASN . . . . . 0.519 ' HA ' HD23 ' C' ' 128' ' ' LEU . 30.5 t-20 -60.33 -39.52 87.37 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.22 -46.05 82.24 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 120.827 0.346 . . . . 0.0 111.502 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -79.04 -24.37 43.64 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.44 -0.904 . . . . 0.0 112.4 -174.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 128' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' C' ' 82' ' ' PHE . 0.4 OUTLIER -79.14 -36.03 41.16 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.774 -0.77 . . . . 0.0 112.247 174.468 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 129' ' ' ASN . . . . . 0.473 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 28.4 t-20 -110.75 -11.17 14.42 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -168.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -141.16 71.85 27.47 Favored Pre-proline 0 N--CA 1.467 0.401 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 169.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.67 170.7 17.81 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.661 1.574 . . . . 0.0 111.641 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo . . . . . 0 C--N 1.289 -2.553 0 C-N-CA 122.442 2.095 . . . . 0.0 111.617 179.795 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtt . . . . . 0 CA--C 1.549 0.941 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -91.12 138.28 31.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 126.86 2.6 . . . . 0.0 108.852 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.23 162.99 38.27 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 173.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.96 140.17 49.52 Favored 'General case' 0 N--CA 1.514 2.749 1 O-C-N 130.524 4.89 . . . . 0.0 108.778 179.575 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.05 114.26 44.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 CA-C-O 113.402 -3.189 . . . . 0.0 105.602 175.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 127.52 41.33 Favored 'General case' 0 N--CA 1.507 2.397 1 O-C-N 129.429 4.205 . . . . 0.0 107.933 -178.156 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.3 p -99.57 170.72 8.4 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.86 -1.067 . . . . 0.0 109.381 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.29 -7.02 49.78 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.079 0.862 . . . . 0.0 112.688 -177.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.57 15.1 29.95 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.616 -2.434 . . . . 0.0 111.976 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.68 80.19 Favored Glycine 0 C--N 1.298 -1.575 0 O-C-N 120.187 -1.571 . . . . 0.0 116.101 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -96.48 138.13 34.52 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 p -119.97 131.64 55.24 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.62 2.45 . . . . 0.0 105.937 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 pt -109.58 141.92 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 127.706 3.129 . . . . 0.0 108.909 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.9 t -101.38 139.66 36.73 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.23 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.6 mt -126.37 154.01 44.15 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 115.351 -2.261 . . . . 0.0 108.43 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -111.83 121.0 43.88 Favored 'General case' 0 N--CA 1.499 2.019 1 O-C-N 129.283 4.114 . . . . 0.0 103.642 173.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 t -138.91 170.61 16.02 Favored 'Isoleucine or valine' 0 C--O 1.255 1.367 0 O-C-N 127.537 3.023 . . . . 0.0 111.195 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.95 144.5 37.63 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 112.354 -2.203 . . . . 0.0 106.36 174.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -54.96 -24.35 39.06 Favored 'Trans proline' 0 C--N 1.321 -0.911 0 C-N-CA 122.423 2.082 . . . . 0.0 112.015 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -8.13 59.2 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.903 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -70.99 148.39 47.69 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 117.503 -1.679 . . . . 0.0 109.814 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.73 160.56 21.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 175.779 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.965 HG21 HD13 ' A' ' 50' ' ' LEU . 1.6 mp -61.55 -37.03 76.91 Favored 'Isoleucine or valine' 0 C--O 1.246 0.884 0 O-C-N 127.304 2.877 . . . . 0.0 110.258 175.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 1.025 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.51 -40.26 78.3 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.229 -0.919 . . . . 0.0 110.792 176.939 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.21 -41.97 80.54 Favored 'General case' 0 C--O 1.263 1.77 0 O-C-N 121.801 -0.562 . . . . 0.0 110.953 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.4 t -58.27 -46.44 88.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 O-C-N 124.4 1.063 . . . . 0.0 109.159 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 1.025 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 15.3 pttp -60.77 -37.91 83.46 Favored 'General case' 0 C--O 1.26 1.623 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.76 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' A' ' 27' ' ' LYS . . . -66.21 -38.02 86.98 Favored 'General case' 0 C--O 1.277 2.501 0 CA-C-N 118.178 0.445 . . . . 0.0 111.184 176.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -37.44 87.48 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 120.441 -1.412 . . . . 0.0 110.697 176.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.8 mt -69.98 -39.59 77.62 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.21 -48.67 78.98 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.538 2.589 . . . . 0.0 109.138 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -41.73 65.92 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.455 -1.702 . . . . 0.0 111.931 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 0.1 OUTLIER -93.56 -24.29 18.01 Favored 'General case' 0 C--O 1.28 2.703 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -175.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -123.37 -6.38 8.21 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 123.053 2.661 . . . . 0.0 114.245 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.97 5.68 89.98 Favored Glycine 0 CA--C 1.477 -2.324 0 N-CA-C 118.955 2.342 . . . . 0.0 118.955 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 22.6 mm -79.8 124.73 83.25 Favored Pre-proline 0 C--O 1.243 0.758 0 C-N-CA 118.909 -1.117 . . . . 0.0 110.954 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.1 Cg_exo -56.91 136.8 78.68 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.293 2.662 . . . . 0.0 110.85 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 53.4 Cg_exo -57.18 -31.89 91.87 Favored 'Trans proline' 0 C--O 1.262 1.7 0 O-C-N 123.023 1.012 . . . . 0.0 113.634 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.52 -15.36 63.51 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 119.939 -1.726 . . . . 0.0 112.161 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -95.94 -10.3 29.05 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.718 -1.239 . . . . 0.0 112.11 178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.86 129.68 34.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 124.417 2.056 . . . . 0.0 115.73 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.1 116.11 24.38 Favored 'General case' 0 C--O 1.299 3.677 0 N-CA-C 104.905 -2.258 . . . . 0.0 104.905 171.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.612 ' CB ' HD21 ' A' ' 50' ' ' LEU . 2.8 mm? -103.53 130.19 50.88 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 119.476 1.034 . . . . 0.0 109.921 -177.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 49' ' ' GLN . 42.4 mm -122.02 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 O-C-N 125.1 1.5 . . . . 0.0 111.919 -177.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -144.39 129.53 18.63 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 46.15 19.72 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.719 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' C' ' 74' ' ' ILE . . . 61.55 21.75 60.72 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 128.703 3.049 . . . . 0.0 117.488 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -115.03 142.82 46.12 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.533 ' HA ' HD13 ' A' ' 44' ' ' ILE . 4.4 mt-30 -85.83 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.528 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 174.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 1.174 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -79.52 138.18 37.43 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 117.651 -1.166 . . . . 0.0 110.175 -175.904 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -101.87 140.07 36.65 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 125.041 1.463 . . . . 0.0 109.942 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -47.91 -42.54 27.38 Favored 'General case' 0 C--O 1.264 1.824 0 N-CA-C 120.775 3.621 . . . . 0.0 120.775 -175.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 -8.85 85.51 Favored Glycine 0 CA--C 1.49 -1.502 0 N-CA-C 116.276 1.271 . . . . 0.0 116.276 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -85.42 165.41 17.22 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 119.761 -2.023 . . . . 0.0 108.024 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 25.5 p -104.52 164.8 11.49 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.46 HD22 HD13 ' A' ' 61' ' ' ILE . 41.6 mt -61.57 -35.99 79.38 Favored 'General case' 0 C--O 1.201 -1.448 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.7 t -64.22 -29.44 70.55 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 117.287 -1.765 . . . . 0.0 112.206 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.53 -39.56 70.7 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 122.39 1.09 . . . . 0.0 110.619 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -90.85 4.69 51.1 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 117.694 -1.145 . . . . 0.0 112.999 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.8 t30 58.15 45.21 17.9 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 121.574 1.988 . . . . 0.0 111.146 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.46 HD13 HD22 ' A' ' 56' ' ' LEU . 1.7 mt -88.78 116.43 30.39 Favored 'Isoleucine or valine' 0 C--O 1.266 1.958 0 CA-C-O 115.196 -2.335 . . . . 0.0 106.156 175.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.45 169.71 8.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 126.034 2.084 . . . . 0.0 109.379 -176.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.9 142.91 27.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.253 1.502 . . . . 0.0 109.077 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.712 ' O ' HD13 ' B' ' 8' ' ' LEU . 0.4 OUTLIER 67.1 19.22 10.48 Favored 'General case' 0 C--O 1.254 1.329 0 N-CA-C 117.912 2.56 . . . . 0.0 117.912 179.271 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -71.26 159.61 34.3 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.21 126.82 52.44 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 118.149 -0.929 . . . . 0.0 108.79 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 mt -103.15 154.54 19.2 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.763 -2.541 . . . . 0.0 105.624 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.804 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -105.66 135.68 46.63 Favored 'General case' 0 C--N 1.287 -2.13 0 O-C-N 127.42 2.95 . . . . 0.0 105.941 177.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -106.97 115.84 30.88 Favored 'General case' 0 C--O 1.284 2.872 0 CA-C-O 117.62 -1.181 . . . . 0.0 111.384 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.0 139.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 N-CA-C 103.654 -2.721 . . . . 0.0 103.654 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.1 138.85 33.12 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.199 0.523 . . . . 0.0 109.864 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 125.98 26.39 Favored 'General case' 0 C--N 1.278 -2.512 0 CA-C-O 113.14 -3.315 . . . . 0.0 105.558 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tt 68.38 88.63 0.11 Allowed 'General case' 0 C--N 1.29 -2.015 0 O-C-N 125.939 2.024 . . . . 0.0 109.563 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.04 131.37 50.07 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.857 -179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.18 172.87 20.76 Favored Glycine 0 C--O 1.246 0.905 0 CA-C-N 114.541 -1.209 . . . . 0.0 115.145 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.452 0 N-CA-C 108.276 -1.93 . . . . 0.0 108.276 179.555 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.6 ptp . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -90.96 138.51 31.55 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 127.142 2.777 . . . . 0.0 108.731 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -131.2 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 CA-C-O 115.816 -2.04 . . . . 0.0 105.902 173.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -116.0 140.18 49.52 Favored 'General case' 0 N--CA 1.514 2.761 1 O-C-N 130.573 4.921 . . . . 0.0 108.595 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.437 HG13 ' HB ' ' B' ' 13' ' ' ILE . 0.1 OUTLIER -117.92 114.18 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-O 113.444 -3.17 . . . . 0.0 105.776 175.509 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.2 127.59 41.37 Favored 'General case' 0 N--CA 1.502 2.156 1 O-C-N 129.162 4.039 . . . . 0.0 108.131 -178.1 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.9 p -99.58 170.82 8.32 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.297 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -73.32 -7.01 49.76 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 124.105 0.878 . . . . 0.0 112.879 -178.3 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.4 t -101.14 14.73 31.04 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 115.661 -2.415 . . . . 0.0 112.009 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.67 80.05 Favored Glycine 0 C--N 1.295 -1.704 0 O-C-N 120.162 -1.586 . . . . 0.0 116.034 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.27 137.92 34.64 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 174.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.89 131.88 55.38 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 126.401 2.313 . . . . 0.0 106.174 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.437 ' HB ' HG13 ' B' ' 5' ' ' VAL . 1.7 mp -109.51 141.8 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 127.746 3.154 . . . . 0.0 109.099 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -101.25 139.9 36.29 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 116.933 -1.907 . . . . 0.0 108.404 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt -126.52 154.01 44.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.494 -2.193 . . . . 0.0 108.437 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.8 121.11 44.18 Favored 'General case' 0 N--CA 1.497 1.91 1 O-C-N 129.283 4.114 . . . . 0.0 103.52 174.103 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 m -139.02 170.63 15.88 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 O-C-N 127.798 3.186 . . . . 0.0 111.272 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -120.04 144.65 38.09 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.314 174.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -55.03 -24.63 40.9 Favored 'Trans proline' 0 C--N 1.317 -1.097 0 C-N-CA 122.627 2.218 . . . . 0.0 111.515 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -8.2 59.18 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.878 -177.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.97 148.61 47.5 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 117.31 -1.756 . . . . 0.0 109.742 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.2 p -83.97 160.49 21.03 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 175.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.413 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 20.7 mm -61.46 -36.66 74.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 126.921 2.638 . . . . 0.0 110.449 175.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.778 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.19 -42.98 78.0 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 120.363 -1.461 . . . . 0.0 110.969 176.287 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -64.3 -44.62 91.07 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 124.264 1.025 . . . . 0.0 111.436 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.74 ' O ' HG23 ' B' ' 30' ' ' ILE . 2.3 t -58.59 -46.25 90.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 O-C-N 124.886 1.366 . . . . 0.0 108.994 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.497 ' O ' HG13 ' B' ' 30' ' ' ILE . 23.4 mtpt -60.78 -38.02 83.86 Favored 'General case' 0 C--O 1.256 1.402 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.805 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.95 86.63 Favored 'General case' 0 C--O 1.279 2.624 0 O-C-N 123.468 0.48 . . . . 0.0 111.387 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -64.03 -37.5 87.67 Favored 'General case' 0 C--O 1.254 1.3 0 O-C-N 120.438 -1.414 . . . . 0.0 110.825 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.74 HG23 ' O ' ' B' ' 26' ' ' VAL . 0.6 OUTLIER -69.69 -39.72 78.44 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 0.469 ' N ' HG13 ' B' ' 30' ' ' ILE . 2.5 tt0 -62.0 -48.86 78.42 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.547 2.594 . . . . 0.0 108.968 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -53.35 -41.86 66.24 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.82 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.4 OUTLIER -93.36 -24.32 18.13 Favored 'General case' 0 C--O 1.28 2.7 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 -175.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -123.68 -6.4 8.03 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 122.938 2.608 . . . . 0.0 113.784 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.09 5.6 90.0 Favored Glycine 0 CA--C 1.476 -2.379 0 N-CA-C 118.744 2.257 . . . . 0.0 118.744 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.728 HG22 HD11 ' B' ' 30' ' ' ILE . 1.4 mt -79.85 125.1 82.82 Favored Pre-proline 0 C--O 1.241 0.655 0 C-N-CA 118.682 -1.207 . . . . 0.0 111.003 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 82.7 Cg_exo -57.2 137.0 79.79 Favored 'Trans proline' 0 C--O 1.256 1.384 0 C-N-CA 122.935 2.424 . . . . 0.0 110.899 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.7 Cg_exo -57.21 -32.25 92.98 Favored 'Trans proline' 0 C--O 1.261 1.659 0 O-C-N 123.141 1.074 . . . . 0.0 113.324 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -15.52 63.6 Favored 'General case' 0 C--O 1.264 1.867 0 O-C-N 120.014 -1.679 . . . . 0.0 112.239 -177.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.502 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.1 OUTLIER -95.52 -10.59 29.26 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.462 -1.399 . . . . 0.0 112.207 178.405 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -84.84 129.66 34.78 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 124.207 1.955 . . . . 0.0 115.682 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -121.22 116.15 24.36 Favored 'General case' 0 C--O 1.299 3.663 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.63 130.33 51.06 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.484 1.038 . . . . 0.0 109.958 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.01 131.56 72.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 O-C-N 125.122 1.514 . . . . 0.0 111.987 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.25 129.83 19.07 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 45.98 19.82 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 111.979 -2.373 . . . . 0.0 110.693 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 20.27 59.5 Favored Glycine 0 C--N 1.298 -1.542 0 C-N-CA 128.217 2.818 . . . . 0.0 117.372 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -109.95 143.83 39.34 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 115.371 -2.252 . . . . 0.0 110.912 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.471 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.1 OUTLIER -87.17 130.34 34.58 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 103.971 -2.603 . . . . 0.0 103.971 173.38 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -79.58 138.37 37.44 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.074 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -101.94 139.98 36.84 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 125.178 1.549 . . . . 0.0 109.924 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.778 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.8 OUTLIER -48.17 -42.08 28.67 Favored 'General case' 0 C--O 1.262 1.723 0 N-CA-C 120.782 3.623 . . . . 0.0 120.782 -175.764 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.19 -8.58 85.22 Favored Glycine 0 CA--C 1.493 -1.339 0 N-CA-C 115.991 1.156 . . . . 0.0 115.991 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -85.6 165.33 17.13 Favored 'General case' 0 C--O 1.251 1.177 0 O-C-N 120.138 -1.801 . . . . 0.0 108.037 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 45.1 p -104.44 164.46 11.73 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.078 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.461 HD22 HD13 ' B' ' 61' ' ' ILE . 40.5 mt -61.01 -36.42 79.46 Favored 'General case' 0 C--O 1.201 -1.47 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.28 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -63.66 -29.81 71.0 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.29 -1.764 . . . . 0.0 112.135 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.62 -39.06 70.31 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 122.554 1.169 . . . . 0.0 110.861 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -91.04 4.5 51.95 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.942 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.87 45.44 18.43 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-N 121.666 2.03 . . . . 0.0 111.301 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.461 HD13 HD22 ' B' ' 56' ' ' LEU . 8.3 mt -88.78 116.19 29.98 Favored 'Isoleucine or valine' 0 C--O 1.27 2.153 0 CA-C-O 115.106 -2.378 . . . . 0.0 106.259 175.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -103.29 169.62 8.44 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 126.048 2.093 . . . . 0.0 109.783 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 142.9 28.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.071 1.415 . . . . 0.0 109.287 -176.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 67.1 19.05 10.5 Favored 'General case' 0 C--O 1.256 1.437 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -71.06 159.47 34.67 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 50.9 m -118.9 126.6 52.16 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 118.108 -0.948 . . . . 0.0 108.896 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.13 154.59 19.14 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.726 -2.559 . . . . 0.0 105.703 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -105.58 135.73 46.45 Favored 'General case' 0 C--N 1.283 -2.295 0 O-C-N 127.489 2.993 . . . . 0.0 105.714 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tp -107.03 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.865 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.43 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.528 ' HA ' HD11 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -108.17 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 103.462 -2.792 . . . . 0.0 103.462 175.2 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.584 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.6 tt -96.11 -83.52 0.37 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.1 0.476 . . . . 0.0 109.805 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.518 ' HB2' ' HA2' ' C' ' 101' ' ' GLY . 6.5 mmm180 46.78 80.69 0.05 OUTLIER 'General case' 0 C--N 1.278 -2.515 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.407 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 tp -53.68 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.872 0 O-C-N 125.696 1.872 . . . . 0.0 109.683 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -52.94 176.29 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.84 -1.527 . . . . 0.0 108.736 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.85 110.84 0.99 Allowed Glycine 0 C--O 1.245 0.834 0 CA-C-N 114.776 -1.102 . . . . 0.0 115.196 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.432 0 CA-C-O 116.601 -2.221 . . . . 0.0 108.296 179.1 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.526 0 CA-C-O 121.89 0.852 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.22 -174.17 0.09 Allowed 'General case' 0 C--N 1.289 -2.034 0 O-C-N 119.15 -2.219 . . . . 0.0 111.047 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -107.88 -51.69 2.87 Favored 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.765 2.026 . . . . 0.0 110.701 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -89.09 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.558 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' C' ' 127' ' ' TYR . 8.9 mt -70.2 -39.6 75.09 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.675 0.75 . . . . 0.0 111.885 172.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -144.3 136.11 22.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.233 1.413 . . . . 0.0 107.474 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.34 148.03 34.23 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.59 165.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -161.01 155.17 22.84 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.263 0.977 . . . . 0.0 111.181 173.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -72.21 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.331 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.61 ' HB1' ' CD2' ' C' ' 107' ' ' PHE . . . -166.16 147.73 6.78 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.077 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.89 25.12 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 108.247 -1.941 . . . . 0.0 108.247 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.17 -179.22 3.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.8 mtt -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -136.64 156.57 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.108 -1.437 . . . . 0.0 108.781 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.28 -116.09 8.67 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -113.95 14.55 18.49 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.332 -0.434 . . . . 0.0 110.018 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 85.9 m -111.96 122.48 47.89 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 -172.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 44.6 t -76.08 119.99 25.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -124.08 119.31 26.56 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.17 -173.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.91 134.81 59.11 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 117.935 -0.91 . . . . 0.0 111.863 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 172.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.21 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -67.08 144.41 56.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.11 125.58 26.81 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' GLY . . . . . 0.445 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.26 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.221 1.456 . . . . 0.0 115.299 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 tt -128.39 124.38 36.17 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 5.1 m -91.0 137.54 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.12 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 164.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -151.86 157.82 42.4 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.964 0.888 . . . . 0.0 113.032 175.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.586 HG23 HD13 ' C' ' 57' ' ' ILE . 1.8 mp -118.81 131.08 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.599 -1.637 . . . . 0.0 108.325 174.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -134.05 137.64 44.8 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -100.16 122.04 42.37 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 77.7 p -84.1 171.12 13.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.248 0.546 . . . . 0.0 111.248 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.53 -10.44 59.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.691 -0.804 . . . . 0.0 113.165 -170.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m 73.8 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.404 1.482 . . . . 0.0 114.791 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mp -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.677 HD12 ' N ' ' C' ' 58' ' ' HIS . 0.1 OUTLIER -102.19 129.08 54.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.176 -177.639 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.677 ' N ' HD12 ' C' ' 57' ' ' ILE . 13.3 m-70 -117.64 125.32 50.53 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -176.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -98.8 118.98 36.77 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 75.5 m -127.65 156.85 41.68 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 61' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.5 128.26 40.83 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.587 -1.642 . . . . 0.0 108.763 169.223 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.62 134.32 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.745 -176.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.26 115.36 13.68 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -63.98 -32.47 74.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -176.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -46.13 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -91.46 -20.44 21.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.574 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.5 2.72 60.6 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 80.5 t -84.19 109.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -94.54 -28.83 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.931 -171.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.99 135.51 54.85 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.838 0.828 . . . . 0.0 109.415 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.96 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.08 123.23 45.12 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.236 -174.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 74' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 47' ' ' GLY . 1.3 pt -75.86 124.3 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.392 1.091 . . . . 0.0 111.742 168.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.971 HG21 HD12 ' C' ' 128' ' ' LEU . 4.8 mm -122.96 130.33 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.632 -174.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.27 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.467 1.105 . . . . 0.0 110.861 173.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -54.31 133.88 58.13 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.91 2.407 . . . . 0.0 111.319 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.53 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -70.44 -33.63 71.53 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.01 0.823 . . . . 0.0 109.558 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.88 168.18 27.8 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.639 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.44 139.34 46.67 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.48 -1.691 . . . . 0.0 106.972 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -106.74 124.16 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.5 156.5 42.54 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.8 142.84 56.07 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.379 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 89.0 t -94.29 98.31 2.86 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -60.99 -31.99 91.92 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.765 2.179 . . . . 0.0 117.765 -167.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -91.1 8.59 34.82 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.207 -164.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.09 119.68 72.74 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -56.96 -19.83 34.0 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.42 -173.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 78.7 p -65.56 -34.67 78.79 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.411 0.55 . . . . 0.0 110.035 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.49 13.04 64.85 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.528 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -120.99 17.1 11.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 86.6 t -97.08 133.45 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 94' ' ' TYR . . . . . 0.886 ' HB2' ' CE1' ' C' ' 107' ' ' PHE . 10.1 m-85 -125.0 151.77 45.1 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.468 1.73 . . . . 0.0 110.44 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 p -127.03 135.39 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 57.8 tp -95.48 108.06 20.27 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -109.21 125.23 52.02 Favored 'General case' 0 CA--C 1.486 -1.509 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -171.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -84.89 115.68 22.9 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.136 0.898 . . . . 0.0 109.153 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 99' ' ' LYS . . . . . 0.471 ' HA ' ' HB2' ' B' ' 49' ' ' GLN . 13.0 mtmt -63.38 -25.18 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.412 -169.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.432 ' HB3' ' NE2' ' A' ' 68' ' ' HIS . . . -111.26 115.21 28.96 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 173.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 101' ' ' GLY . . . . . 0.518 ' HA2' ' HB2' ' B' ' 72' ' ' ARG . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.34 8.94 33.65 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.034 -0.686 . . . . 0.0 110.55 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -70.63 129.19 38.51 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.622 -165.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.01 141.78 46.28 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.946 175.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mt -124.56 126.24 45.49 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -100.86 143.67 30.74 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.329 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 107' ' ' PHE . . . . . 0.992 ' CD1' ' C ' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -137.09 156.72 48.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.307 178.685 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 26.7 p-90 -131.5 126.57 35.29 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.408 175.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.63 137.75 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.238 -174.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -118.84 3.97 11.54 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.268 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.28 135.92 93.85 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.129 1.442 . . . . 0.0 108.623 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.29 -41.34 42.69 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.444 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -96.12 146.93 24.25 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.513 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 14.9 t -83.41 -9.26 59.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.216 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.23 5.8 37.82 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -174.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -56.84 -48.83 77.15 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.307 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -69.77 -32.28 70.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.582 -173.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.25 -44.09 80.3 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.901 0.381 . . . . 0.0 110.909 175.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -55.6 -45.91 77.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.025 -1.047 . . . . 0.0 112.264 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 121' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' C' ' 122' ' ' ARG . 0.5 OUTLIER -60.53 -43.12 97.48 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.695 0.76 . . . . 0.0 110.348 178.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 122' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' C' ' 121' ' ' CYS . 0.0 OUTLIER -61.89 -43.45 98.82 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.117 -179.43 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -42.37 96.58 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 69.3 t -52.27 -51.87 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.478 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.37 -39.53 87.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.33 -45.93 82.31 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.453 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 127' ' ' TYR . . . . . 0.648 ' CE1' HD22 ' C' ' 23' ' ' LEU . 63.0 m-85 -79.06 -24.51 43.51 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.445 -0.902 . . . . 0.0 112.381 -174.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.971 HD12 HG21 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -78.96 -36.15 42.0 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.796 -0.761 . . . . 0.0 112.278 174.471 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 129' ' ' ASN . . . . . 0.649 ' CB ' HD23 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.73 -11.12 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -168.547 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -141.17 71.87 27.4 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -82.32 168.47 14.85 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.591 1.527 . . . . 0.0 111.66 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo . . . . . 0 C--N 1.288 -2.624 0 C-N-CA 122.437 2.092 . . . . 0.0 111.568 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 mmt . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -91.18 138.21 31.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 126.812 2.57 . . . . 0.0 108.795 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.23 162.97 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 173.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 1.032 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -115.93 140.22 49.47 Favored 'General case' 0 N--CA 1.513 2.698 1 O-C-N 130.643 4.964 . . . . 0.0 108.779 179.606 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.749 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -118.15 114.25 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.562 175.829 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.23 127.52 41.35 Favored 'General case' 0 N--CA 1.505 2.323 1 O-C-N 129.36 4.162 . . . . 0.0 107.928 -178.092 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -99.54 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.35 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.8 mt -73.33 -7.02 49.84 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.049 0.843 . . . . 0.0 112.722 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.52 15.02 30.2 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.652 -2.419 . . . . 0.0 112.003 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.68 80.21 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.305 -1.497 . . . . 0.0 116.161 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.48 138.1 34.57 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.89 131.66 55.31 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 126.727 2.517 . . . . 0.0 105.943 176.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.6 HG23 HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -109.54 141.92 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 127.615 3.072 . . . . 0.0 108.865 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.8 m -101.4 139.7 36.71 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 117.214 -1.794 . . . . 0.0 108.2 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.43 153.99 44.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 115.418 -2.229 . . . . 0.0 108.332 -179.144 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -111.82 120.97 43.79 Favored 'General case' 0 N--CA 1.499 2.012 1 O-C-N 129.179 4.05 . . . . 0.0 103.685 173.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -138.9 170.62 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.312 0 O-C-N 127.513 3.008 . . . . 0.0 111.201 -177.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -120.0 144.49 37.67 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 112.356 -2.202 . . . . 0.0 106.349 174.686 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -55.02 -24.36 39.54 Favored 'Trans proline' 0 C--N 1.322 -0.838 0 C-N-CA 122.497 2.131 . . . . 0.0 111.935 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -8.33 59.24 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.872 -177.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.542 ' OD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -71.0 148.37 47.7 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 117.474 -1.69 . . . . 0.0 109.808 -179.016 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -83.69 160.53 21.29 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 21.2 mm -61.43 -37.13 77.02 Favored 'Isoleucine or valine' 0 C--O 1.245 0.844 0 O-C-N 127.209 2.818 . . . . 0.0 110.263 175.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.61 -40.16 78.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.336 -0.852 . . . . 0.0 110.788 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.29 -41.9 80.29 Favored 'General case' 0 C--O 1.262 1.729 0 O-C-N 121.919 -0.488 . . . . 0.0 110.947 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.542 HG23 ' OD2' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -58.14 -46.45 88.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 178.096 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.856 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 22.5 mttm -60.88 -37.83 83.53 Favored 'General case' 0 C--O 1.26 1.611 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.689 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.527 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.19 -38.13 87.27 Favored 'General case' 0 C--O 1.277 2.542 0 CA-C-N 118.207 0.458 . . . . 0.0 111.091 176.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.12 -37.55 87.84 Favored 'General case' 0 C--O 1.254 1.31 0 O-C-N 120.486 -1.383 . . . . 0.0 110.599 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.96 -39.5 77.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.139 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.913 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 2.2 mm-40 -62.17 -48.81 78.43 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 125.574 2.606 . . . . 0.0 109.053 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.24 -41.69 65.69 Favored 'General case' 0 C--O 1.253 1.238 0 CA-C-N 113.463 -1.699 . . . . 0.0 111.915 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 14.3 tptp -93.65 -24.2 17.97 Favored 'General case' 0 C--O 1.281 2.75 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' OE2' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -123.47 -6.45 8.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 123.148 2.704 . . . . 0.0 114.19 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.77 89.93 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.94 2.336 . . . . 0.0 118.94 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.913 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 19.5 mm -79.86 124.8 83.11 Favored Pre-proline 0 C--O 1.243 0.759 0 C-N-CA 118.866 -1.134 . . . . 0.0 110.899 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.579 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 79.9 Cg_exo -56.95 136.77 78.59 Favored 'Trans proline' 0 C--O 1.259 1.552 0 C-N-CA 123.351 2.7 . . . . 0.0 110.862 178.218 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.844 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 32.5 Cg_exo -57.15 -31.83 91.62 Favored 'Trans proline' 0 C--O 1.262 1.712 0 O-C-N 122.951 0.974 . . . . 0.0 113.749 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.59 -15.36 63.51 Favored 'General case' 0 C--O 1.261 1.664 0 O-C-N 119.863 -1.773 . . . . 0.0 112.213 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -95.97 -10.22 29.18 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 120.714 -1.242 . . . . 0.0 112.043 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.84 129.61 34.79 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 124.36 2.028 . . . . 0.0 115.706 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -121.08 116.1 24.37 Favored 'General case' 0 C--O 1.298 3.615 0 N-CA-C 104.936 -2.246 . . . . 0.0 104.936 171.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.481 ' CD1' HD23 ' A' ' 67' ' ' LEU . 2.8 mm? -103.52 130.18 50.85 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 119.501 1.046 . . . . 0.0 109.867 -177.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -121.93 131.89 72.12 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 O-C-N 125.139 1.525 . . . . 0.0 111.94 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.676 ' CZ ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -144.4 129.52 18.61 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 177.572 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.778 ' HB2' ' CD1' ' B' ' 73' ' ' LEU . . . 48.18 46.05 19.79 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.707 177.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' C' ' 74' ' ' ILE . . . 61.74 21.66 61.05 Favored Glycine 0 N--CA 1.432 -1.612 0 C-N-CA 128.723 3.059 . . . . 0.0 117.462 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HG2' HD11 ' C' ' 74' ' ' ILE . 0.0 OUTLIER -115.02 142.74 46.22 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 177.681 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -85.79 130.29 34.6 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 103.778 -2.675 . . . . 0.0 103.778 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -79.39 138.11 37.53 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 117.665 -1.159 . . . . 0.0 110.174 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.8 140.07 36.58 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 125.03 1.456 . . . . 0.0 110.014 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 19.0 m-20 -47.99 -42.45 27.86 Favored 'General case' 0 C--O 1.264 1.85 0 N-CA-C 120.764 3.616 . . . . 0.0 120.764 -175.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.66 -8.99 85.29 Favored Glycine 0 CA--C 1.49 -1.494 0 N-CA-C 116.192 1.237 . . . . 0.0 116.192 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -85.44 165.23 17.35 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 119.801 -1.999 . . . . 0.0 108.027 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 20.4 p -104.32 164.87 11.43 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 176.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.54 -36.02 79.41 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -29.4 70.5 Favored 'General case' 0 C--O 1.268 2.05 0 C-N-CA 117.328 -1.749 . . . . 0.0 112.176 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.51 -39.55 70.63 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 122.501 1.143 . . . . 0.0 110.715 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -90.82 4.68 51.05 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.999 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 58.08 45.21 18.11 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 121.617 2.008 . . . . 0.0 111.187 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.1 mm -88.72 116.59 30.65 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 CA-C-O 115.143 -2.361 . . . . 0.0 106.187 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 65' ' ' SER . 0.0 OUTLIER -103.56 169.59 8.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 126.006 2.066 . . . . 0.0 109.376 -176.647 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.93 27.66 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 123.259 1.504 . . . . 0.0 109.101 -176.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 66.93 19.26 10.63 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -71.15 159.5 34.56 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.718 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.676 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . 6.4 t -119.15 126.75 52.33 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 118.168 -0.92 . . . . 0.0 108.865 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.032 HD13 ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -103.08 154.51 19.19 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 114.762 -2.542 . . . . 0.0 105.711 175.141 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.611 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -105.58 135.59 46.71 Favored 'General case' 0 C--N 1.287 -2.116 0 O-C-N 127.391 2.932 . . . . 0.0 105.892 177.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 tp -106.82 115.84 30.89 Favored 'General case' 0 C--O 1.285 2.922 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.446 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.2 t -108.07 139.9 28.53 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 N-CA-C 103.577 -2.749 . . . . 0.0 103.577 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -96.07 138.78 33.19 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.242 0.544 . . . . 0.0 109.806 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -55.17 -28.35 52.25 Favored 'General case' 0 C--N 1.279 -2.492 0 CA-C-O 113.153 -3.308 . . . . 0.0 105.629 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mt 62.3 172.45 0.13 Allowed 'General case' 0 C--N 1.29 -2.006 0 O-C-N 125.932 2.02 . . . . 0.0 109.582 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.83 69.3 0.76 Allowed 'General case' 0 C--O 1.245 0.835 0 CA-C-N 113.638 -1.619 . . . . 0.0 108.91 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.69 -175.64 23.52 Favored Glycine 0 C--O 1.247 0.909 0 CA-C-N 114.516 -1.22 . . . . 0.0 115.225 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.554 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 179.403 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mmm . . . . . 0 CA--C 1.549 0.911 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.9 138.51 31.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 127.143 2.777 . . . . 0.0 108.741 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.438 HD12 HD21 ' B' ' 67' ' ' LEU . 0.2 OUTLIER -131.14 163.01 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 CA-C-O 115.813 -2.042 . . . . 0.0 105.885 173.187 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.91 140.19 49.48 Favored 'General case' 0 N--CA 1.514 2.747 1 O-C-N 130.619 4.949 . . . . 0.0 108.627 179.713 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.642 HG12 HD21 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -117.93 114.11 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-O 113.376 -3.202 . . . . 0.0 105.793 175.504 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.14 127.62 41.34 Favored 'General case' 0 N--CA 1.502 2.138 1 O-C-N 129.203 4.064 . . . . 0.0 108.19 -178.12 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.55 170.83 8.32 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.769 -1.11 . . . . 0.0 109.259 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.651 HD11 HG13 ' B' ' 70' ' ' VAL . 5.6 mt -73.42 -6.93 49.42 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.096 0.872 . . . . 0.0 112.838 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -101.23 14.78 30.88 Favored 'General case' 0 N--CA 1.507 2.396 0 C-N-CA 115.663 -2.415 . . . . 0.0 111.997 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.75 80.05 Favored Glycine 0 C--N 1.296 -1.662 0 O-C-N 120.136 -1.603 . . . . 0.0 116.01 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.28 137.95 34.61 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 174.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.87 131.98 55.42 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 126.31 2.256 . . . . 0.0 106.203 176.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.55 141.82 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.825 3.203 . . . . 0.0 109.096 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -101.18 139.91 36.2 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 117.054 -1.858 . . . . 0.0 108.356 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.8 mt -126.59 154.11 44.36 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 115.538 -2.172 . . . . 0.0 108.348 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.86 121.22 44.47 Favored 'General case' 0 N--CA 1.496 1.874 1 O-C-N 129.271 4.107 . . . . 0.0 103.496 174.073 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.11 170.56 15.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.351 0 O-C-N 127.774 3.171 . . . . 0.0 111.271 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 pm0 -120.03 144.68 38.14 Favored Pre-proline 0 C--N 1.312 -1.052 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.288 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -55.0 -24.66 40.78 Favored 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 122.719 2.279 . . . . 0.0 111.498 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.6 t -79.89 -8.34 59.25 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.849 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.92 148.52 47.64 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.727 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.1 p -83.86 160.49 21.14 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 175.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.979 HG21 HD13 ' B' ' 50' ' ' LEU . 1.8 mp -61.44 -36.74 75.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 126.959 2.662 . . . . 0.0 110.336 175.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.776 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.2 -42.83 77.82 Favored 'General case' 0 C--O 1.252 1.22 0 O-C-N 120.408 -1.432 . . . . 0.0 111.009 176.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -64.47 -44.47 90.95 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 124.263 1.025 . . . . 0.0 111.44 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.66 -46.31 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 114.207 -1.36 . . . . 0.0 108.992 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.776 ' O ' HG22 ' B' ' 30' ' ' ILE . 10.5 mtmm -60.7 -38.07 83.79 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.812 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -37.94 86.76 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 123.359 0.412 . . . . 0.0 111.38 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -64.1 -37.47 87.56 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 120.429 -1.419 . . . . 0.0 110.791 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.776 HG22 ' O ' ' B' ' 27' ' ' LYS . 5.4 tp -69.66 -39.77 78.56 Favored 'Isoleucine or valine' 0 C--O 1.255 1.376 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.97 -48.82 78.65 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 125.572 2.606 . . . . 0.0 109.054 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.4 -41.8 66.34 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.852 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.4 OUTLIER -93.32 -24.36 18.15 Favored 'General case' 0 C--O 1.28 2.659 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 -175.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.72 -6.25 8.02 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 122.864 2.574 . . . . 0.0 113.688 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.63 90.01 Favored Glycine 0 CA--C 1.477 -2.318 0 N-CA-C 118.66 2.224 . . . . 0.0 118.66 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.513 HD11 ' CG1' ' B' ' 30' ' ' ILE . 4.2 pt -79.91 124.99 82.93 Favored Pre-proline 0 C--O 1.242 0.682 0 C-N-CA 118.719 -1.192 . . . . 0.0 111.033 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 82.9 Cg_exo -57.17 137.05 80.04 Favored 'Trans proline' 0 C--O 1.256 1.404 0 C-N-CA 122.913 2.409 . . . . 0.0 110.833 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.5 Cg_exo -57.17 -32.19 92.72 Favored 'Trans proline' 0 C--O 1.261 1.666 0 O-C-N 123.023 1.012 . . . . 0.0 113.444 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -15.54 63.6 Favored 'General case' 0 C--O 1.265 1.912 0 O-C-N 120.056 -1.652 . . . . 0.0 112.189 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.788 ' HB2' HD13 ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.48 -10.73 28.98 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.504 -1.372 . . . . 0.0 112.177 178.432 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.403 ' NE2' HD12 ' B' ' 36' ' ' ILE . 36.5 mm-40 -84.76 129.6 34.8 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 124.274 1.988 . . . . 0.0 115.797 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -121.1 116.08 24.32 Favored 'General case' 0 C--O 1.299 3.664 0 N-CA-C 104.83 -2.285 . . . . 0.0 104.83 172.19 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.692 ' HG ' HD22 ' B' ' 69' ' ' LEU . 0.2 OUTLIER -103.52 130.26 50.88 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.501 1.046 . . . . 0.0 110.02 -177.663 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.861 HD11 ' O ' ' C' ' 99' ' ' LYS . 12.5 mm -122.01 131.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 125.136 1.522 . . . . 0.0 111.966 -177.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.667 ' CZ ' ' HB3' ' B' ' 50' ' ' LEU . 0.0 OUTLIER -144.23 129.78 19.05 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 177.449 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 46.01 19.66 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 112.011 -2.358 . . . . 0.0 110.661 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 20.29 59.44 Favored Glycine 0 C--N 1.298 -1.581 0 C-N-CA 128.349 2.88 . . . . 0.0 117.349 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -109.94 143.93 39.18 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 115.307 -2.282 . . . . 0.0 110.964 174.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.494 ' HA ' HD13 ' B' ' 44' ' ' ILE . 3.8 pp0? -87.29 130.33 34.64 Favored 'General case' 0 C--N 1.279 -2.473 0 N-CA-C 103.95 -2.611 . . . . 0.0 103.95 173.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 1.185 ' O ' HD12 ' B' ' 50' ' ' LEU . 0.1 OUTLIER -79.61 138.44 37.43 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.043 -175.757 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.98 140.01 36.85 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 125.201 1.563 . . . . 0.0 109.893 -177.627 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.776 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.6 OUTLIER -48.22 -42.1 29.2 Favored 'General case' 0 C--O 1.261 1.7 0 N-CA-C 120.741 3.608 . . . . 0.0 120.741 -175.774 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.28 -8.37 85.37 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 115.967 1.147 . . . . 0.0 115.967 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -85.62 165.3 17.14 Favored 'General case' 0 C--O 1.25 1.13 0 O-C-N 120.124 -1.809 . . . . 0.0 108.02 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 2.3 p -104.35 164.59 11.63 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.06 -36.39 79.48 Favored 'General case' 0 C--O 1.201 -1.49 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -29.79 70.98 Favored 'General case' 0 C--O 1.266 1.922 0 C-N-CA 117.294 -1.762 . . . . 0.0 112.184 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.68 -39.01 70.39 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 122.454 1.121 . . . . 0.0 110.729 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.507 ' CG ' ' CZ ' ' B' ' 45' ' ' PHE . 79.4 m-85 -91.2 4.54 51.99 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.865 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.92 45.35 18.39 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 121.713 2.051 . . . . 0.0 111.276 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.457 HD13 ' HB2' ' B' ' 59' ' ' TYR . 1.0 OUTLIER -88.74 116.22 30.02 Favored 'Isoleucine or valine' 0 C--O 1.269 2.087 0 CA-C-O 115.098 -2.382 . . . . 0.0 106.239 175.821 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -103.32 169.53 8.49 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 126.08 2.113 . . . . 0.0 109.74 -176.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 142.97 27.11 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 123.228 1.49 . . . . 0.0 109.264 -176.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.403 0 N-CA-C 117.819 2.525 . . . . 0.0 117.819 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.4 t -71.07 159.56 34.5 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.06 126.63 52.13 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 118.153 -0.927 . . . . 0.0 108.801 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.476 ' N ' HD13 ' B' ' 67' ' ' LEU . 0.2 OUTLIER -103.18 154.57 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.667 -2.587 . . . . 0.0 105.699 175.071 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.571 ' C ' HD23 ' B' ' 69' ' ' LEU . 2.1 m-70 -105.58 135.73 46.46 Favored 'General case' 0 C--N 1.284 -2.28 0 O-C-N 127.581 3.051 . . . . 0.0 105.773 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.692 HD22 ' HG ' ' B' ' 43' ' ' LEU . 6.6 mt -107.05 115.87 30.94 Favored 'General case' 0 C--O 1.283 2.847 0 CA-C-O 117.596 -1.193 . . . . 0.0 111.419 176.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.651 HG13 HD11 ' B' ' 8' ' ' LEU . 39.8 t -108.13 139.92 28.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 103.472 -2.788 . . . . 0.0 103.472 175.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.834 HD12 ' C ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER -96.11 -83.43 0.37 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.057 0.456 . . . . 0.0 109.851 178.373 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.664 ' N ' ' HG ' ' B' ' 71' ' ' LEU . 4.3 ttp180 -135.31 -165.4 1.68 Allowed 'General case' 0 C--N 1.277 -2.586 0 CA-C-O 113.46 -3.162 . . . . 0.0 105.444 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.778 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -176.28 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.792 0 O-C-N 125.646 1.841 . . . . 0.0 109.687 -179.457 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? 64.25 117.74 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 113.843 -1.526 . . . . 0.0 108.764 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.52 -70.26 0.3 Allowed Glycine 0 C--O 1.244 0.758 0 CA-C-N 114.856 -1.065 . . . . 0.0 115.096 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.422 0 CA-C-O 116.44 -2.311 . . . . 0.0 108.29 179.153 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 121.964 0.888 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -72.83 -71.78 0.28 Allowed 'General case' 0 C--N 1.29 -2.008 0 O-C-N 119.053 -2.279 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 177.65 148.4 0.15 Allowed 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 126.886 2.074 . . . . 0.0 110.716 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.01 137.88 31.91 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.59 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.26 -39.57 74.88 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.653 0.739 . . . . 0.0 111.828 172.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.7 t -144.36 136.19 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.184 1.394 . . . . 0.0 107.449 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -144.47 148.03 34.04 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.528 165.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -160.98 155.21 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.32 1.013 . . . . 0.0 111.148 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -72.24 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.18 -1.373 . . . . 0.0 112.331 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.18 147.65 6.73 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.098 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.87 25.22 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -179.24 3.79 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 31' ' ' MET . . . . . 0.607 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.14 161.05 37.2 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 32' ' ' SER . . . . . 0.607 ' N ' ' HG2' ' C' ' 31' ' ' MET . 3.4 m -136.66 156.48 48.49 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.131 -1.428 . . . . 0.0 108.794 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.71 116.16 28.76 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -112.35 115.87 29.43 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.11 8.69 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.289 -1.925 . . . . 0.0 108.289 -169.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.93 14.55 18.51 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.37 -0.415 . . . . 0.0 109.99 178.061 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 4.4 p -112.03 122.47 47.86 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -172.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.504 HG23 ' O ' ' C' ' 38' ' ' VAL . 35.4 m -76.09 120.04 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.18 119.37 26.43 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.161 -173.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.79 59.0 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.924 -0.917 . . . . 0.0 111.853 173.442 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.64 132.15 34.21 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 172.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -11.2 59.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.14 144.43 56.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -173.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 125.54 26.68 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 171.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.22 21.59 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.12 1.4 . . . . 0.0 115.404 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mt -128.32 124.4 36.38 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.4 t -90.96 137.62 21.34 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 164.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -152.01 157.77 42.16 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 122.043 0.925 . . . . 0.0 113.017 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.453 HG13 HD21 ' C' ' 128' ' ' LEU . 3.1 mm -118.77 131.09 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.325 174.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -134.04 137.61 44.81 Favored 'General case' 0 CA--C 1.492 -1.251 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -100.16 122.08 42.43 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -84.09 171.07 13.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.287 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -10.36 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.651 -0.819 . . . . 0.0 113.187 -170.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.71 7.36 15.13 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.316 -0.154 . . . . 0.0 110.948 170.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 29.4 t 73.86 -1.31 3.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.399 1.48 . . . . 0.0 114.695 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.91 149.94 39.29 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 119.24 -0.984 . . . . 0.0 113.11 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.21 129.1 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 8.4 m-70 -117.65 125.36 50.59 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -176.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 59' ' ' PHE . . . . . 0.428 ' HA ' HD13 ' C' ' 49' ' ' ILE . 22.4 t80 -98.88 119.02 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 171.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 93.1 m -127.7 156.78 41.83 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -130.43 128.35 41.14 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.523 -1.671 . . . . 0.0 108.728 169.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -120.69 134.33 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 113.993 -1.458 . . . . 0.0 109.801 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -74.26 115.32 13.63 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -32.38 73.9 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -176.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -46.17 55.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 32.5 t -91.36 -20.58 21.68 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.582 -176.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.67 2.65 61.11 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-O 119.711 -0.494 . . . . 0.0 113.722 -171.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.645 1.223 . . . . 0.0 113.195 178.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 34.5 t -84.17 109.1 17.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -94.55 -28.83 15.21 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.898 -171.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -121.97 135.57 54.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.808 0.813 . . . . 0.0 109.389 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -155.01 103.32 2.39 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.543 -2.391 . . . . 0.0 104.543 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.08 123.24 45.14 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.38 -1.282 . . . . 0.0 109.242 -174.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 74' ' ' ILE . . . . . 0.46 ' O ' ' O ' ' A' ' 47' ' ' GLY . 5.0 pt -75.84 124.35 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.374 1.083 . . . . 0.0 111.714 168.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.64 HD13 ' HB3' ' C' ' 128' ' ' LEU . 2.0 pp -122.99 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.415 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.645 -174.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.33 158.97 30.78 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.334 1.021 . . . . 0.0 110.826 173.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.31 133.88 58.13 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.91 2.407 . . . . 0.0 111.319 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.48 6.86 5.92 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 -175.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -33.66 71.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 119.061 0.846 . . . . 0.0 109.576 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 6.4 p -154.9 168.16 27.87 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.481 -1.288 . . . . 0.0 113.639 -173.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -133.41 139.38 46.73 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 113.441 -1.709 . . . . 0.0 107.026 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -106.74 124.16 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.55 156.41 42.41 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -67.69 142.83 56.21 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.416 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 35.8 t -94.31 98.33 2.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 171.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -61.05 -31.87 91.37 Favored 'Trans proline' 0 N--CA 1.476 0.478 0 N-CA-C 117.786 2.187 . . . . 0.0 117.786 -167.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -91.08 8.6 34.7 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.929 -1.509 . . . . 0.0 112.273 -164.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 5.9 m -85.08 119.69 72.76 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.89 -19.92 33.94 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.408 -173.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 14.6 p -65.56 -34.63 78.7 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.421 0.555 . . . . 0.0 110.062 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.49 13.02 64.82 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.528 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -120.97 17.03 11.74 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 52.7 t -96.91 133.46 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -125.0 151.81 45.05 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.517 1.761 . . . . 0.0 110.388 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.08 135.27 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 57.9 tp -95.36 108.1 20.26 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 169.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -109.1 125.17 51.86 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 -171.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -84.84 115.76 22.92 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.058 0.849 . . . . 0.0 109.148 176.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 99' ' ' LYS . . . . . 0.861 ' O ' HD11 ' B' ' 44' ' ' ILE . 2.1 pttp -63.54 -25.1 68.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.344 -169.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.31 115.13 28.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.9 172.35 27.71 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -172.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.34 9.0 33.36 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.026 -0.69 . . . . 0.0 110.523 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -70.63 129.22 38.6 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.622 -165.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.15 141.74 46.0 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.854 175.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.4 mp -124.45 126.17 45.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -100.86 143.68 30.72 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.329 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -137.12 156.68 48.07 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.262 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -131.43 126.55 35.38 Favored 'General case' 0 N--CA 1.418 -2.035 0 C-N-CA 119.516 -0.874 . . . . 0.0 110.446 175.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -62.64 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.278 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.88 4.01 11.51 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.629 -1.168 . . . . 0.0 110.256 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.26 135.83 93.79 Favored Pre-proline 0 C--O 1.264 1.838 0 CA-C-O 123.154 1.454 . . . . 0.0 108.717 172.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.19 -41.34 43.47 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.568 -1.154 . . . . 0.0 112.482 -174.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.15 146.95 24.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 13.9 p -83.48 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.125 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -33.78 56.28 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.403 0.681 . . . . 0.0 112.767 -169.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.28 5.88 37.73 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -174.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.96 -1.096 . . . . 0.0 110.307 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.87 -32.2 70.45 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.543 -173.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.33 -44.04 80.1 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 175.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -55.61 -45.86 77.44 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.025 -1.047 . . . . 0.0 112.27 173.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 13.9 t -60.59 -43.07 97.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 121.695 0.76 . . . . 0.0 110.323 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -43.35 99.03 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.101 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -64.29 -42.29 96.48 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 124' ' ' VAL . . . . . 0.463 ' O ' ' HG ' ' C' ' 128' ' ' LEU . 55.4 t -52.36 -51.86 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.383 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.4 -39.49 87.53 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.27 -45.96 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.502 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -79.07 -24.44 43.52 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.38 -174.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.817 HD23 ' N ' ' C' ' 128' ' ' LEU . 0.3 OUTLIER -79.08 -36.06 41.4 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.751 -0.78 . . . . 0.0 112.273 174.515 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -110.8 -11.05 14.42 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -168.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -141.17 71.8 27.44 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 169.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -77.77 170.94 18.21 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 121.522 1.482 . . . . 0.0 111.642 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo . . . . . 0 C--N 1.29 -2.526 0 C-N-CA 122.372 2.048 . . . . 0.0 111.602 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.02 138.18 31.8 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 126.827 2.58 . . . . 0.0 108.943 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 4' ' ' PHE . 1.3 pp -131.25 162.97 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.37 0 CA-C-O 115.916 -1.992 . . . . 0.0 105.633 173.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.596 ' HB2' HG23 ' A' ' 66' ' ' THR . 4.5 m-85 -115.91 140.16 49.52 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.563 4.914 . . . . 0.0 108.785 179.679 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.456 HG23 HD11 ' A' ' 3' ' ' ILE . 94.9 t -118.03 114.16 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.632 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -95.17 127.59 41.34 Favored 'General case' 0 N--CA 1.506 2.328 1 O-C-N 129.374 4.171 . . . . 0.0 107.839 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.62 170.8 8.33 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.375 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -7.01 49.85 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 124.105 0.878 . . . . 0.0 112.638 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.7 p -101.49 15.08 29.99 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.695 -2.402 . . . . 0.0 111.983 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 16.73 80.24 Favored Glycine 0 C--N 1.297 -1.603 0 O-C-N 120.235 -1.54 . . . . 0.0 116.162 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.5 138.09 34.6 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 175.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -119.96 131.64 55.25 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 126.652 2.47 . . . . 0.0 105.952 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.9 mm -109.57 141.9 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 127.623 3.077 . . . . 0.0 108.891 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -101.33 139.63 36.74 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 117.231 -1.788 . . . . 0.0 108.193 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.443 HD11 HG21 ' A' ' 5' ' ' VAL . 23.2 mt -126.43 154.04 44.2 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.336 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -111.89 121.08 44.07 Favored 'General case' 0 N--CA 1.499 2.024 1 O-C-N 129.275 4.11 . . . . 0.0 103.627 173.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.8 m -138.95 170.6 15.99 Favored 'Isoleucine or valine' 0 C--O 1.255 1.365 0 O-C-N 127.565 3.041 . . . . 0.0 111.286 -177.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -119.95 144.31 37.2 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 112.373 -2.194 . . . . 0.0 106.41 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -54.9 -24.34 38.51 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.553 2.169 . . . . 0.0 111.949 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.02 -8.08 59.17 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.967 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.05 148.39 47.6 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 117.435 -1.706 . . . . 0.0 109.813 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.76 160.52 21.23 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 175.809 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 34.9 mm -61.49 -37.13 77.08 Favored 'Isoleucine or valine' 0 C--O 1.246 0.903 0 O-C-N 127.157 2.785 . . . . 0.0 110.241 175.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -40.17 77.85 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.312 -0.868 . . . . 0.0 110.825 176.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.32 -41.91 80.12 Favored 'General case' 0 C--O 1.261 1.702 0 O-C-N 121.896 -0.502 . . . . 0.0 110.949 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.24 -46.44 88.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 124.428 1.08 . . . . 0.0 109.17 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -60.77 -37.95 83.6 Favored 'General case' 0 C--O 1.259 1.557 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.764 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.03 86.94 Favored 'General case' 0 C--O 1.278 2.575 0 CA-C-N 118.043 0.383 . . . . 0.0 111.163 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -37.61 88.06 Favored 'General case' 0 C--O 1.254 1.342 0 CA-C-O 123.072 1.415 . . . . 0.0 110.699 176.02 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.6 mt -70.02 -39.35 77.24 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.32 -48.76 78.4 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 125.488 2.566 . . . . 0.0 109.039 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.17 -41.78 65.55 Favored 'General case' 0 C--O 1.253 1.243 0 CA-C-N 113.515 -1.675 . . . . 0.0 111.954 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 34.9 tttt -93.61 -24.27 17.98 Favored 'General case' 0 C--O 1.281 2.73 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 -175.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -123.4 -6.42 8.19 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.103 2.683 . . . . 0.0 114.243 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.7 89.97 Favored Glycine 0 CA--C 1.479 -2.208 0 N-CA-C 118.978 2.351 . . . . 0.0 118.978 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 53.3 mt -79.73 124.78 83.35 Favored Pre-proline 0 C--O 1.245 0.854 0 C-N-CA 118.842 -1.143 . . . . 0.0 110.947 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 80.3 Cg_exo -56.97 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.561 0 C-N-CA 123.344 2.696 . . . . 0.0 110.774 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -57.2 -31.96 92.12 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 122.911 0.953 . . . . 0.0 113.645 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -15.26 63.47 Favored 'General case' 0 C--O 1.261 1.691 0 O-C-N 119.811 -1.806 . . . . 0.0 112.195 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -96.03 -10.23 29.0 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 120.68 -1.262 . . . . 0.0 112.004 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -84.86 129.6 34.79 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 124.389 2.042 . . . . 0.0 115.749 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 116.13 24.44 Favored 'General case' 0 C--O 1.299 3.672 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 171.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.82 ' HB2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -103.6 130.18 50.99 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.515 1.052 . . . . 0.0 109.922 -177.531 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' C' ' 76' ' ' PHE . 0.8 OUTLIER -122.02 131.88 72.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 O-C-N 125.154 1.534 . . . . 0.0 111.805 -177.471 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -144.47 129.49 18.52 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.16 19.6 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 112.198 -2.274 . . . . 0.0 110.765 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.63 21.71 60.86 Favored Glycine 0 N--CA 1.433 -1.536 0 C-N-CA 128.66 3.029 . . . . 0.0 117.465 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -115.04 142.73 46.24 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -85.87 130.31 34.59 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD23 HD12 ' A' ' 23' ' ' ILE . 3.1 mp -79.55 138.12 37.39 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 117.708 -1.139 . . . . 0.0 110.146 -175.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -101.67 140.07 36.46 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 125.071 1.482 . . . . 0.0 109.965 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -47.94 -42.55 27.71 Favored 'General case' 0 C--O 1.264 1.847 0 N-CA-C 120.732 3.604 . . . . 0.0 120.732 -175.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.69 -8.8 85.52 Favored Glycine 0 CA--C 1.49 -1.525 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.48 165.27 17.29 Favored 'General case' 0 C--O 1.251 1.164 0 O-C-N 119.837 -1.978 . . . . 0.0 108.1 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.6 p -104.37 164.95 11.38 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 176.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.517 ' HG ' HD13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -61.71 -35.92 79.42 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.292 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -29.39 70.49 Favored 'General case' 0 C--O 1.267 1.977 0 C-N-CA 117.322 -1.751 . . . . 0.0 112.219 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.61 -39.43 70.78 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 122.421 1.105 . . . . 0.0 110.753 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.474 ' HB2' HD12 ' A' ' 61' ' ' ILE . 55.8 m-85 -90.85 4.69 51.09 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.721 -1.133 . . . . 0.0 113.028 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.09 45.16 18.16 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.607 2.003 . . . . 0.0 111.229 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.517 HD13 ' HG ' ' A' ' 56' ' ' LEU . 4.1 mt -88.74 116.5 30.5 Favored 'Isoleucine or valine' 0 C--O 1.265 1.89 0 CA-C-O 115.162 -2.351 . . . . 0.0 106.183 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.493 ' HB2' HD22 ' B' ' 73' ' ' LEU . 7.9 mm100 -103.52 169.72 8.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 126.15 2.156 . . . . 0.0 109.363 -176.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 pttp -54.92 142.87 28.04 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 123.262 1.506 . . . . 0.0 109.108 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.564 ' O ' HD22 ' B' ' 8' ' ' LEU . 81.5 mm-40 67.01 19.29 10.57 Favored 'General case' 0 C--O 1.254 1.308 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.495 ' HB2' HD12 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -71.21 159.59 34.37 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.735 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.705 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -119.1 126.75 52.36 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 118.093 -0.955 . . . . 0.0 108.855 175.777 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 43' ' ' LEU . 4.4 tt -103.11 154.56 19.15 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 114.755 -2.545 . . . . 0.0 105.647 175.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -105.68 135.71 46.61 Favored 'General case' 0 C--N 1.287 -2.132 0 O-C-N 127.382 2.926 . . . . 0.0 105.812 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -106.9 115.82 30.84 Favored 'General case' 0 C--O 1.285 2.967 0 CA-C-O 117.651 -1.166 . . . . 0.0 111.43 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -108.04 139.86 28.62 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 N-CA-C 103.59 -2.745 . . . . 0.0 103.59 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mp -96.06 138.91 33.01 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 121.302 0.572 . . . . 0.0 109.793 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -104.01 92.01 4.21 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-O 113.215 -3.279 . . . . 0.0 105.551 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mp -86.01 68.18 10.23 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 125.86 1.975 . . . . 0.0 109.631 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 52.37 35.33 17.02 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.894 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.39 113.77 1.68 Allowed Glycine 0 C--O 1.246 0.87 0 CA-C-N 114.53 -1.214 . . . . 0.0 115.161 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.522 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 179.448 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptt? . . . . . 0 CA--C 1.548 0.866 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -90.88 138.39 31.63 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 127.101 2.751 . . . . 0.0 108.898 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 pt -131.14 163.13 37.83 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-O 115.782 -2.056 . . . . 0.0 105.89 173.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.844 ' O ' HD22 ' B' ' 67' ' ' LEU . 7.9 m-85 -116.04 140.15 49.56 Favored 'General case' 0 N--CA 1.515 2.791 1 O-C-N 130.653 4.971 . . . . 0.0 108.585 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.436 ' O ' HG22 ' B' ' 5' ' ' VAL . 0.1 OUTLIER -117.92 114.09 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-O 113.432 -3.175 . . . . 0.0 105.823 175.512 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -95.12 127.62 41.32 Favored 'General case' 0 N--CA 1.503 2.19 1 O-C-N 129.164 4.04 . . . . 0.0 108.107 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.9 p -99.6 170.84 8.3 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 117.846 -1.073 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.705 HD23 ' OG1' ' A' ' 66' ' ' THR . 0.3 OUTLIER -73.31 -7.09 50.11 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.976 0.797 . . . . 0.0 112.833 -178.26 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -101.23 14.83 30.72 Favored 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 115.642 -2.423 . . . . 0.0 112.034 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.58 16.52 80.14 Favored Glycine 0 C--N 1.298 -1.569 0 O-C-N 120.121 -1.612 . . . . 0.0 116.005 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -96.22 137.9 34.62 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 174.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.423 HG21 ' HD2' ' B' ' 4' ' ' PHE . 6.8 m -119.9 131.86 55.37 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 126.413 2.321 . . . . 0.0 106.263 176.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -109.46 141.77 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 127.702 3.127 . . . . 0.0 109.156 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.5 p -101.11 139.92 36.12 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 117.014 -1.874 . . . . 0.0 108.434 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.6 154.04 44.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 115.48 -2.2 . . . . 0.0 108.305 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.8 121.14 44.26 Favored 'General case' 0 N--CA 1.495 1.812 1 O-C-N 129.341 4.15 . . . . 0.0 103.52 174.086 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.06 170.57 15.92 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 O-C-N 127.841 3.213 . . . . 0.0 111.29 -177.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -119.98 144.65 38.0 Favored Pre-proline 0 C--N 1.313 -0.987 0 CA-C-N 112.14 -2.3 . . . . 0.0 106.349 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -54.93 -24.69 40.39 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 C-N-CA 122.72 2.28 . . . . 0.0 111.531 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -79.94 -8.15 59.17 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.943 -177.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.04 148.47 47.53 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.336 -1.745 . . . . 0.0 109.761 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.81 160.47 21.19 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 175.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.781 HG13 HD12 ' B' ' 50' ' ' LEU . 8.4 mm -61.38 -36.88 75.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 127.0 2.688 . . . . 0.0 110.367 175.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.07 -42.97 77.5 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 120.399 -1.438 . . . . 0.0 111.018 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -64.37 -44.58 90.94 Favored 'General case' 0 C--O 1.25 1.124 0 C-N-CA 124.246 1.018 . . . . 0.0 111.471 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 t -58.56 -46.35 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.314 -1.312 . . . . 0.0 108.956 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -60.66 -38.04 83.55 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.848 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.96 86.55 Favored 'General case' 0 C--O 1.277 2.515 0 O-C-N 123.451 0.47 . . . . 0.0 111.345 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -64.03 -37.4 87.3 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 120.51 -1.369 . . . . 0.0 110.888 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.5 mt -69.73 -39.76 78.39 Favored 'Isoleucine or valine' 0 C--O 1.254 1.3 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -61.94 -48.8 78.77 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 125.534 2.588 . . . . 0.0 109.045 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -41.84 66.3 Favored 'General case' 0 C--O 1.257 1.499 0 CA-C-N 113.651 -1.613 . . . . 0.0 111.887 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.326 1.8 tppp? -93.29 -24.45 18.14 Favored 'General case' 0 C--O 1.279 2.647 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.58 -6.31 8.09 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 122.886 2.585 . . . . 0.0 113.789 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.66 90.0 Favored Glycine 0 CA--C 1.477 -2.287 0 N-CA-C 118.762 2.265 . . . . 0.0 118.762 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 63.7 mt -79.96 124.97 82.84 Favored Pre-proline 0 C--O 1.243 0.727 0 C-N-CA 118.695 -1.202 . . . . 0.0 111.011 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.4 Cg_exo -57.08 136.9 79.36 Favored 'Trans proline' 0 C--O 1.256 1.407 0 C-N-CA 123.015 2.476 . . . . 0.0 110.924 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.1 Cg_exo -57.19 -32.14 92.64 Favored 'Trans proline' 0 C--O 1.261 1.661 0 O-C-N 123.028 1.015 . . . . 0.0 113.453 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -68.29 -15.63 63.64 Favored 'General case' 0 C--O 1.266 1.945 0 O-C-N 119.906 -1.746 . . . . 0.0 112.13 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.808 ' HB3' HD11 ' B' ' 71' ' ' LEU . 11.7 mm100 -95.42 -10.69 29.21 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 120.447 -1.408 . . . . 0.0 112.286 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -84.79 129.68 34.78 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 124.252 1.977 . . . . 0.0 115.728 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -121.21 116.09 24.26 Favored 'General case' 0 C--O 1.299 3.697 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 172.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.57 130.28 50.97 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 119.533 1.06 . . . . 0.0 110.003 -177.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.639 ' C ' ' CD1' ' B' ' 45' ' ' PHE . 2.3 mt -122.09 131.64 72.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 O-C-N 125.14 1.525 . . . . 0.0 112.003 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 1.003 ' O ' ' OH ' ' B' ' 59' ' ' TYR . 0.0 OUTLIER -144.24 129.82 19.07 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 177.504 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.468 ' HB3' ' OH ' ' B' ' 59' ' ' TYR . . . 48.12 45.95 19.56 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 111.967 -2.379 . . . . 0.0 110.649 177.392 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.9 20.25 59.71 Favored Glycine 0 C--N 1.3 -1.462 0 C-N-CA 128.207 2.813 . . . . 0.0 117.32 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' B' ' 59' ' ' TYR . 7.7 mtp180 -109.96 143.77 39.45 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 115.344 -2.265 . . . . 0.0 110.96 174.137 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.464 ' NE2' ' O ' ' B' ' 50' ' ' LEU . 5.1 tm0? -87.14 130.32 34.57 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 103.991 -2.596 . . . . 0.0 103.991 173.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.839 HD23 ' CD1' ' B' ' 45' ' ' PHE . 1.1 mm? -79.62 138.48 37.43 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 117.674 -1.155 . . . . 0.0 110.068 -175.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -101.91 139.99 36.8 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 125.18 1.55 . . . . 0.0 109.957 -177.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.32 -41.97 29.82 Favored 'General case' 0 C--O 1.263 1.768 0 N-CA-C 120.738 3.607 . . . . 0.0 120.738 -175.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.24 -8.52 85.23 Favored Glycine 0 CA--C 1.492 -1.353 0 N-CA-C 116.025 1.17 . . . . 0.0 116.025 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -85.65 165.35 17.08 Favored 'General case' 0 C--O 1.25 1.089 0 O-C-N 120.12 -1.812 . . . . 0.0 107.95 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 34.8 p -104.44 164.57 11.65 Favored 'General case' 0 C--N 1.313 -1.022 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 177.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -36.3 79.53 Favored 'General case' 0 C--O 1.201 -1.471 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.3 m -63.68 -29.76 70.94 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.234 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.63 -39.08 70.35 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.518 1.151 . . . . 0.0 110.817 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 1.003 ' OH ' ' O ' ' B' ' 45' ' ' PHE . 14.5 t80 -91.06 4.51 51.93 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.876 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.92 45.38 18.34 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.759 2.072 . . . . 0.0 111.303 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.4 mt -88.78 116.24 30.07 Favored 'Isoleucine or valine' 0 C--O 1.271 2.196 0 CA-C-O 115.054 -2.403 . . . . 0.0 106.305 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.32 169.62 8.44 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 126.152 2.158 . . . . 0.0 109.759 -176.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 123.106 1.431 . . . . 0.0 109.217 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 66.94 19.17 10.63 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 174.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.4 t -118.94 126.62 52.19 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 118.189 -0.91 . . . . 0.0 108.829 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.844 HD22 ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -103.15 154.54 19.2 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 114.719 -2.562 . . . . 0.0 105.767 174.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -105.52 135.79 46.27 Favored 'General case' 0 C--N 1.283 -2.308 0 O-C-N 127.525 3.016 . . . . 0.0 105.734 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -107.18 115.78 30.77 Favored 'General case' 0 C--O 1.283 2.816 0 CA-C-O 117.639 -1.172 . . . . 0.0 111.42 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t -108.02 139.88 28.51 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 103.506 -2.776 . . . . 0.0 103.506 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.44 0.37 Allowed 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.079 0.466 . . . . 0.0 109.834 178.367 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.448 ' HB2' ' H ' ' C' ' 102' ' ' SER . 0.5 OUTLIER 159.81 158.66 0.01 OUTLIER 'General case' 0 C--N 1.277 -2.546 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.48 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 65' ' ' SER . 7.6 mt -155.01 88.38 1.17 Allowed 'General case' 0 C--N 1.293 -1.859 0 O-C-N 125.793 1.933 . . . . 0.0 109.667 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 47.35 34.14 3.08 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 113.835 -1.529 . . . . 0.0 108.726 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.24 84.67 0.04 OUTLIER Glycine 0 C--O 1.245 0.804 0 CA-C-N 114.852 -1.067 . . . . 0.0 115.18 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.507 0 CA-C-O 116.626 -2.208 . . . . 0.0 108.31 179.119 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 95.8 p . . . . . 0 CA--C 1.512 -0.505 0 CA-C-O 121.97 0.89 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -68.75 151.02 47.2 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 119.103 -2.248 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -172.25 106.47 0.19 Allowed 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.745 2.018 . . . . 0.0 110.639 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -89.09 137.88 31.92 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.535 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 75.3 mt -70.19 -39.59 75.12 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.646 0.736 . . . . 0.0 111.873 172.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 39.0 t -144.3 136.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 125.197 1.399 . . . . 0.0 107.464 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.37 148.06 34.22 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.59 165.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -161.06 155.18 22.74 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.248 0.968 . . . . 0.0 111.242 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.21 127.81 33.72 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.316 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.22 147.71 6.69 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.048 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.83 25.08 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.276 -1.929 . . . . 0.0 108.276 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.07 -179.25 3.8 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 31' ' ' MET . . . . . 0.788 ' HG2' ' HB3' ' C' ' 106' ' ' PHE . 0.0 OUTLIER -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 32' ' ' SER . . . . . 0.508 ' N ' ' SD ' ' C' ' 31' ' ' MET . 26.0 t -136.64 156.57 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.108 -1.437 . . . . 0.0 108.781 177.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.78 116.1 28.72 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -112.28 115.82 29.39 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 172.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.32 -116.05 8.61 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 11.6 t -113.97 14.52 18.46 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.378 -0.411 . . . . 0.0 109.958 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -112.01 122.51 47.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -172.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.505 HG23 ' O ' ' C' ' 38' ' ' VAL . 35.2 m -76.14 119.97 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 174.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 54.5 m -124.14 119.37 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.161 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.86 134.79 59.21 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 117.959 -0.894 . . . . 0.0 111.855 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -85.81 132.21 34.16 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 172.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -11.3 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -172.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 144.39 56.16 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 171.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 45' ' ' GLY . . . . . 0.461 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.29 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.299 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -128.41 124.38 36.15 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 65.9 t -91.03 137.59 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 164.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -151.94 157.85 42.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.918 0.866 . . . . 0.0 113.041 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 55.3 mt -118.8 131.05 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 113.577 -1.647 . . . . 0.0 108.341 174.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -133.98 137.6 44.9 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.348 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -100.23 122.01 42.37 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 170.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 67.8 p -84.01 171.17 13.2 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.268 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -71.58 -10.44 59.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.677 -0.809 . . . . 0.0 113.165 -170.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.85 -1.35 3.09 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.419 1.487 . . . . 0.0 114.671 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mp -74.83 149.9 39.46 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.124 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 4.1 mm -102.21 129.02 54.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.6 m170 -117.56 125.34 50.64 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -176.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -98.75 118.96 36.67 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 171.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 29.8 m -127.71 156.92 41.63 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 61' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.55 128.21 40.65 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.554 -1.657 . . . . 0.0 108.715 169.371 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -120.59 134.27 55.3 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.805 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.18 115.3 13.52 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 173.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -64.03 -32.39 73.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 80.8 p -72.53 -46.1 56.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 1.3 p -91.49 -20.48 21.69 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.597 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.74 60.89 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.723 -171.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -72.48 129.99 39.62 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.17 109.16 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.51 -28.83 15.24 Favored 'General case' 0 C--O 1.206 -1.236 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.984 -171.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -122.02 135.53 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.838 0.828 . . . . 0.0 109.386 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.97 103.3 2.39 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.02 123.25 45.23 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.259 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mt -75.87 124.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.391 1.091 . . . . 0.0 111.661 168.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 47.5 mm -122.97 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.381 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.607 -174.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 76' ' ' PHE . . . . . 0.546 ' HB2' HD11 ' A' ' 44' ' ' ILE . 4.8 m-85 -101.29 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 124.36 1.038 . . . . 0.0 110.861 173.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.33 133.91 58.37 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.861 2.374 . . . . 0.0 111.371 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.57 6.72 5.85 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -175.684 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -70.29 -33.7 71.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 119.008 0.822 . . . . 0.0 109.617 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -154.87 168.14 27.9 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.477 -1.289 . . . . 0.0 113.601 -173.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -133.41 139.34 46.7 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.468 -1.696 . . . . 0.0 106.998 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.466 ' CD1' HG21 ' C' ' 124' ' ' VAL . 4.7 t80 -106.79 124.17 49.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.51 156.53 42.57 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -177.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -67.85 142.9 55.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.01 -0.995 . . . . 0.0 108.408 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 85' ' ' VAL . . . . . 0.851 ' HB ' HG23 ' C' ' 93' ' ' VAL . 2.6 t -94.33 98.39 2.93 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -61.0 -32.0 91.87 Favored 'Trans proline' 0 N--CA 1.476 0.45 0 N-CA-C 117.796 2.191 . . . . 0.0 117.796 -167.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -91.09 8.61 34.67 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.207 -164.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 88' ' ' CYS . . . . . 0.455 ' HB2' HG21 ' C' ' 93' ' ' VAL . 0.5 OUTLIER -85.07 119.6 72.66 Favored Pre-proline 0 CA--C 1.516 -0.351 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.545 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.92 -19.91 34.07 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.033 1.018 . . . . 0.0 114.425 -173.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -34.66 78.8 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.399 0.545 . . . . 0.0 110.06 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.51 13.0 64.84 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.529 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -121.0 17.11 11.71 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 93' ' ' VAL . . . . . 0.851 HG23 ' HB ' ' C' ' 85' ' ' VAL . 24.7 m -97.07 133.43 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 173.665 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -125.06 151.77 45.21 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 125.552 1.783 . . . . 0.0 110.43 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.93 135.4 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.52 108.08 20.29 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -109.21 125.11 51.88 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -171.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -84.74 115.7 22.84 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.066 0.854 . . . . 0.0 109.199 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 99' ' ' LYS . . . . . 0.528 ' HD3' HD13 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.43 -25.16 68.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.353 -169.592 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.34 115.18 28.86 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 173.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.89 172.41 27.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 -172.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 102' ' ' SER . . . . . 0.448 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 0.1 OUTLIER -91.42 9.06 33.31 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.042 -0.681 . . . . 0.0 110.562 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 tppm? -70.7 129.17 38.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 117.928 -1.509 . . . . 0.0 110.496 -165.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.8 46.19 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.94 175.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 61.5 mt -124.51 126.12 45.33 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 171.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 106' ' ' PHE . . . . . 0.788 ' HB3' ' HG2' ' C' ' 31' ' ' MET . 0.1 OUTLIER -100.83 143.67 30.7 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 124.674 1.234 . . . . 0.0 110.289 -177.515 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 107' ' ' PHE . . . . . 0.49 ' N ' ' CD1' ' C' ' 106' ' ' PHE . 82.4 m-85 -137.09 156.68 48.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.262 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 17.4 t90 -131.43 126.55 35.41 Favored 'General case' 0 N--CA 1.419 -1.993 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.389 175.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 15.1 mmt -62.66 137.82 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.278 -174.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -118.91 3.96 11.5 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.216 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.31 135.86 93.87 Favored Pre-proline 0 C--O 1.265 1.913 0 CA-C-O 123.058 1.408 . . . . 0.0 108.665 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.21 -41.41 42.84 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.636 -1.109 . . . . 0.0 112.426 -174.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.6 p -83.4 -9.27 59.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.231 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -53.54 -33.84 56.05 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.389 0.676 . . . . 0.0 112.797 -169.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -103.26 5.97 37.84 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -56.95 -48.8 77.47 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 118.983 -1.087 . . . . 0.0 110.212 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.87 -32.16 70.38 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 119.396 -0.922 . . . . 0.0 110.511 -173.372 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -67.38 -44.0 79.99 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 175.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -55.6 -45.91 77.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.025 -1.047 . . . . 0.0 112.264 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 121' ' ' CYS . . . . . 0.726 ' O ' ' CG1' ' C' ' 124' ' ' VAL . 0.0 OUTLIER -60.61 -43.0 97.94 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.705 0.765 . . . . 0.0 110.336 179.035 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -61.98 -43.47 98.77 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.05 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -42.37 96.66 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 124' ' ' VAL . . . . . 0.726 ' CG1' ' O ' ' C' ' 121' ' ' CYS . 1.4 p -52.27 -51.92 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.42 175.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 125' ' ' ASN . . . . . 0.515 ' HA ' HD23 ' C' ' 128' ' ' LEU . 5.0 t-20 -60.34 -39.47 87.21 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.29 -45.97 82.27 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.526 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -79.09 -24.42 43.47 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.35 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.04 -36.14 41.52 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.794 -0.763 . . . . 0.0 112.24 174.511 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 129' ' ' ASN . . . . . 0.466 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.0 OUTLIER -110.74 -11.07 14.44 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -168.581 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -141.18 71.93 27.29 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 169.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.28 167.59 19.35 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 121.592 1.528 . . . . 0.0 111.58 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--N 1.29 -2.522 0 C-N-CA 122.497 2.131 . . . . 0.0 111.656 179.87 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mmm . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -91.12 138.21 31.77 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 126.824 2.577 . . . . 0.0 108.936 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -131.27 163.03 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.361 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CE2' HG22 ' A' ' 14' ' ' THR . 0.2 OUTLIER -115.99 140.18 49.51 Favored 'General case' 0 N--CA 1.513 2.695 1 O-C-N 130.543 4.902 . . . . 0.0 108.725 179.694 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.801 ' CB ' HD21 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -118.01 114.21 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-O 113.357 -3.211 . . . . 0.0 105.591 175.745 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -95.22 127.58 41.38 Favored 'General case' 0 N--CA 1.505 2.3 1 O-C-N 129.422 4.201 . . . . 0.0 107.932 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -99.64 170.84 8.3 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.314 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.38 -6.99 49.78 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.057 0.848 . . . . 0.0 112.65 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -101.58 15.1 29.95 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 115.711 -2.395 . . . . 0.0 111.965 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.31 16.83 80.09 Favored Glycine 0 C--N 1.296 -1.644 0 O-C-N 120.222 -1.549 . . . . 0.0 116.033 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 138.18 34.49 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 174.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.08 131.65 55.16 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.624 2.453 . . . . 0.0 105.913 176.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.7 mm -109.57 141.91 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 127.678 3.111 . . . . 0.0 108.884 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.443 HG22 ' CE2' ' A' ' 4' ' ' PHE . 1.3 p -101.39 139.68 36.71 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 117.162 -1.815 . . . . 0.0 108.151 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mt -126.41 154.08 44.11 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 115.434 -2.222 . . . . 0.0 108.371 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -111.88 121.03 43.92 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.293 4.12 . . . . 0.0 103.63 174.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 m -138.92 170.69 15.89 Favored 'Isoleucine or valine' 0 C--O 1.255 1.382 0 O-C-N 127.529 3.018 . . . . 0.0 111.222 -177.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -119.97 144.44 37.51 Favored Pre-proline 0 C--N 1.315 -0.929 0 CA-C-N 112.35 -2.204 . . . . 0.0 106.3 174.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -54.96 -24.28 38.69 Favored 'Trans proline' 0 C--N 1.322 -0.862 0 C-N-CA 122.445 2.096 . . . . 0.0 112.008 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 p -80.09 -8.07 59.2 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.905 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.05 148.44 47.55 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 117.457 -1.697 . . . . 0.0 109.835 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -83.81 160.49 21.19 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.689 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -61.45 -37.04 76.83 Favored 'Isoleucine or valine' 0 C--O 1.245 0.832 0 O-C-N 127.155 2.784 . . . . 0.0 110.253 175.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.61 -40.23 78.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.384 -0.823 . . . . 0.0 110.7 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.23 -41.98 80.44 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 121.828 -0.545 . . . . 0.0 110.96 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.18 -46.42 88.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -60.91 -37.83 83.62 Favored 'General case' 0 C--O 1.259 1.585 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.678 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.15 87.39 Favored 'General case' 0 C--O 1.277 2.502 0 CA-C-N 118.116 0.417 . . . . 0.0 111.142 176.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -64.05 -37.49 87.63 Favored 'General case' 0 C--O 1.253 1.287 0 CA-C-O 123.087 1.423 . . . . 0.0 110.721 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -39.52 77.51 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.26 -48.71 78.7 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 125.539 2.59 . . . . 0.0 109.078 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.23 -41.77 65.72 Favored 'General case' 0 C--O 1.253 1.239 0 CA-C-N 113.415 -1.72 . . . . 0.0 111.925 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 0.0 OUTLIER -93.63 -24.16 18.0 Favored 'General case' 0 C--O 1.281 2.756 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -175.854 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.44 -6.47 8.17 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 123.132 2.696 . . . . 0.0 114.252 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.76 89.93 Favored Glycine 0 CA--C 1.478 -2.254 0 N-CA-C 118.916 2.327 . . . . 0.0 118.916 176.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 39.0 mt -79.77 124.71 83.3 Favored Pre-proline 0 C--O 1.244 0.813 0 C-N-CA 118.908 -1.117 . . . . 0.0 110.936 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 82.2 Cg_exo -56.88 136.84 78.83 Favored 'Trans proline' 0 C--O 1.257 1.468 0 C-N-CA 123.317 2.678 . . . . 0.0 110.877 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.8 Cg_exo -57.17 -31.97 92.1 Favored 'Trans proline' 0 C--O 1.263 1.765 0 O-C-N 123.031 1.016 . . . . 0.0 113.665 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -15.4 63.53 Favored 'General case' 0 C--O 1.262 1.717 0 O-C-N 119.787 -1.821 . . . . 0.0 112.235 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.89 -10.33 29.08 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 120.639 -1.288 . . . . 0.0 112.026 178.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.85 129.61 34.79 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 124.305 2.002 . . . . 0.0 115.754 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.06 116.02 24.23 Favored 'General case' 0 C--O 1.299 3.686 0 N-CA-C 104.983 -2.229 . . . . 0.0 104.983 171.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' C ' HD13 ' A' ' 44' ' ' ILE . 1.4 mp -103.48 130.21 50.79 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 119.504 1.047 . . . . 0.0 109.962 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.434 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -122.11 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.844 0 O-C-N 125.183 1.552 . . . . 0.0 111.846 -177.513 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -144.36 129.52 18.66 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.18 19.42 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.283 -2.235 . . . . 0.0 110.704 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 21.8 60.83 Favored Glycine 0 N--CA 1.432 -1.578 0 C-N-CA 128.674 3.035 . . . . 0.0 117.459 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.09 142.84 46.1 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -85.9 130.22 34.61 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 103.764 -2.68 . . . . 0.0 103.764 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 23' ' ' ILE . 4.9 mt -79.5 138.15 37.45 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 117.705 -1.14 . . . . 0.0 110.139 -175.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -101.68 140.08 36.46 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.087 1.492 . . . . 0.0 109.974 -177.704 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.689 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 40.2 m-20 -47.97 -42.56 27.99 Favored 'General case' 0 C--O 1.264 1.819 0 N-CA-C 120.8 3.63 . . . . 0.0 120.8 -175.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.58 -8.87 85.52 Favored Glycine 0 CA--C 1.489 -1.549 0 N-CA-C 116.274 1.27 . . . . 0.0 116.274 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 23' ' ' ILE . 5.7 mmt-85 -85.46 165.4 17.19 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 119.735 -2.038 . . . . 0.0 107.993 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.1 p -104.5 164.86 11.45 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.64 -36.04 79.65 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.0 p -64.17 -29.38 70.5 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 117.284 -1.766 . . . . 0.0 112.182 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.57 -39.6 70.88 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 122.314 1.054 . . . . 0.0 110.59 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -90.78 4.7 50.93 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 117.704 -1.141 . . . . 0.0 112.977 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 58.0 45.22 18.34 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.643 2.019 . . . . 0.0 111.243 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.7 mt -88.62 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.266 1.973 0 CA-C-O 115.087 -2.387 . . . . 0.0 106.246 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.51 169.7 8.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 126.159 2.162 . . . . 0.0 109.348 -176.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -54.93 142.89 27.97 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 123.24 1.495 . . . . 0.0 109.117 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.455 ' CG ' HG22 ' B' ' 9' ' ' THR . 20.6 mt-10 67.18 19.06 10.4 Favored 'General case' 0 C--O 1.254 1.298 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -71.12 159.63 34.35 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.469 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.8 OUTLIER -119.25 126.74 52.21 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 118.239 -0.886 . . . . 0.0 108.76 175.814 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.13 154.51 19.22 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 114.776 -2.535 . . . . 0.0 105.649 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.6 ' C ' HD13 ' A' ' 69' ' ' LEU . 1.8 m-70 -105.59 135.6 46.71 Favored 'General case' 0 C--N 1.286 -2.153 0 O-C-N 127.387 2.93 . . . . 0.0 105.918 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.801 HD21 ' CB ' ' A' ' 5' ' ' VAL . 0.5 OUTLIER -106.87 115.78 30.79 Favored 'General case' 0 C--O 1.285 2.969 0 CA-C-O 117.617 -1.183 . . . . 0.0 111.445 176.701 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.1 t -108.0 139.88 28.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 103.62 -2.733 . . . . 0.0 103.62 174.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.01 138.95 32.91 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.283 0.564 . . . . 0.0 109.856 178.242 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 141.52 30.87 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-O 113.12 -3.324 . . . . 0.0 105.611 178.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.11 154.4 1.59 Allowed 'General case' 0 C--N 1.29 -2.01 0 O-C-N 125.867 1.98 . . . . 0.0 109.553 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -131.45 -66.35 0.73 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-N 113.691 -1.595 . . . . 0.0 108.862 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.42 -137.35 3.78 Favored Glycine 0 C--O 1.246 0.867 0 CA-C-N 114.537 -1.21 . . . . 0.0 115.113 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.478 0 N-CA-C 108.253 -1.939 . . . . 0.0 108.253 179.395 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.98 138.51 31.55 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 127.194 2.809 . . . . 0.0 108.818 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.0 pt -131.2 163.04 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 CA-C-O 115.793 -2.051 . . . . 0.0 105.886 173.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.92 140.16 49.52 Favored 'General case' 0 N--CA 1.514 2.757 1 O-C-N 130.585 4.928 . . . . 0.0 108.611 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.556 HG13 HG23 ' B' ' 13' ' ' ILE . 0.2 OUTLIER -117.97 114.13 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-O 113.482 -3.151 . . . . 0.0 105.71 175.537 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -95.12 127.72 41.39 Favored 'General case' 0 N--CA 1.501 2.106 1 O-C-N 129.133 4.021 . . . . 0.0 108.194 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.69 170.81 8.31 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.249 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.531 HD21 ' HA ' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -73.33 -7.05 49.98 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 124.128 0.893 . . . . 0.0 112.852 -178.277 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.455 HG22 ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -101.14 14.82 30.74 Favored 'General case' 0 N--CA 1.506 2.364 0 C-N-CA 115.685 -2.406 . . . . 0.0 112.027 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.56 80.18 Favored Glycine 0 C--N 1.295 -1.713 0 O-C-N 120.271 -1.518 . . . . 0.0 116.103 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -96.21 137.9 34.6 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.5 t -119.86 131.89 55.4 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 126.419 2.324 . . . . 0.0 106.209 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.556 HG23 HG13 ' B' ' 5' ' ' VAL . 0.0 OUTLIER -109.48 141.76 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 127.777 3.173 . . . . 0.0 109.13 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -101.21 139.91 36.24 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 116.958 -1.897 . . . . 0.0 108.343 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mp -126.53 154.05 44.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 115.401 -2.238 . . . . 0.0 108.45 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -111.82 121.24 44.51 Favored 'General case' 0 N--CA 1.496 1.831 1 O-C-N 129.261 4.101 . . . . 0.0 103.542 174.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.05 170.64 15.83 Favored 'Isoleucine or valine' 0 C--O 1.253 1.267 0 O-C-N 127.79 3.181 . . . . 0.0 111.157 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -120.1 144.62 38.13 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 112.079 -2.328 . . . . 0.0 106.306 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -54.81 -24.88 40.3 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 122.742 2.295 . . . . 0.0 111.532 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -8.2 59.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.913 -177.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.09 148.5 47.41 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 117.279 -1.769 . . . . 0.0 109.758 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.8 p -83.8 160.47 21.2 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.679 HD12 ' O ' ' B' ' 54' ' ' ARG . 1.7 mp -61.47 -36.7 74.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 126.906 2.629 . . . . 0.0 110.398 175.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.787 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.14 -42.94 77.72 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 120.355 -1.466 . . . . 0.0 111.008 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -64.46 -44.47 90.98 Favored 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.215 1.006 . . . . 0.0 111.415 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.68 -46.28 90.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.894 1.371 . . . . 0.0 108.948 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -60.65 -38.05 83.56 Favored 'General case' 0 C--O 1.255 1.377 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.864 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.97 86.62 Favored 'General case' 0 C--O 1.277 2.504 0 O-C-N 123.414 0.446 . . . . 0.0 111.35 176.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -37.39 87.24 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 120.505 -1.372 . . . . 0.0 110.892 175.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 15.7 mt -69.83 -39.75 78.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.319 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -48.91 78.35 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 125.502 2.572 . . . . 0.0 108.923 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -53.38 -41.77 66.24 Favored 'General case' 0 C--O 1.256 1.428 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.853 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 0.0 OUTLIER -93.44 -24.37 18.06 Favored 'General case' 0 C--O 1.28 2.697 0 N-CA-C 117.182 2.29 . . . . 0.0 117.182 -175.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.6 -6.3 8.08 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 122.906 2.594 . . . . 0.0 113.792 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.63 90.02 Favored Glycine 0 CA--C 1.476 -2.402 0 N-CA-C 118.767 2.267 . . . . 0.0 118.767 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.489 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 26.6 mt -79.85 125.01 83.01 Favored Pre-proline 0 C--O 1.243 0.712 0 C-N-CA 118.673 -1.211 . . . . 0.0 111.04 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 79.7 Cg_exo -57.1 137.03 80.07 Favored 'Trans proline' 0 C--O 1.257 1.429 0 C-N-CA 122.952 2.435 . . . . 0.0 110.91 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.2 Cg_exo -57.25 -32.17 92.86 Favored 'Trans proline' 0 C--O 1.26 1.618 0 O-C-N 123.09 1.047 . . . . 0.0 113.366 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -68.36 -15.49 63.58 Favored 'General case' 0 C--O 1.265 1.874 0 O-C-N 120.035 -1.665 . . . . 0.0 112.155 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.545 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.54 -10.63 29.12 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.497 -1.377 . . . . 0.0 112.201 178.442 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -84.88 129.65 34.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 124.246 1.974 . . . . 0.0 115.717 -177.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -121.1 116.11 24.37 Favored 'General case' 0 C--O 1.298 3.639 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 172.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.469 ' HB3' HD13 ' B' ' 67' ' ' LEU . 7.7 mt -103.58 130.2 50.97 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 119.474 1.034 . . . . 0.0 110.025 -177.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.575 ' C ' ' CD1' ' B' ' 45' ' ' PHE . 0.1 OUTLIER -121.84 131.55 72.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.68 0 O-C-N 125.159 1.537 . . . . 0.0 112.109 -177.578 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.93 ' CZ ' HD22 ' B' ' 50' ' ' LEU . 0.0 OUTLIER -144.17 129.78 19.11 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.426 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 45.93 19.78 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 112.068 -2.333 . . . . 0.0 110.719 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 20.26 59.55 Favored Glycine 0 C--N 1.297 -1.591 0 C-N-CA 128.352 2.882 . . . . 0.0 117.346 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -109.88 143.79 39.28 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 115.391 -2.243 . . . . 0.0 110.921 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.1 130.3 34.56 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 104.068 -2.568 . . . . 0.0 104.068 173.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.93 HD22 ' CZ ' ' B' ' 45' ' ' PHE . 0.8 OUTLIER -79.59 138.48 37.47 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 117.54 -1.219 . . . . 0.0 110.049 -175.797 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -101.94 140.04 36.76 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 125.302 1.626 . . . . 0.0 109.958 -177.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.787 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.4 OUTLIER -48.31 -42.01 29.82 Favored 'General case' 0 C--O 1.261 1.708 0 N-CA-C 120.756 3.613 . . . . 0.0 120.756 -175.744 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.58 85.1 Favored Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.679 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -85.61 165.26 17.17 Favored 'General case' 0 C--O 1.249 1.061 0 O-C-N 120.14 -1.8 . . . . 0.0 108.006 176.42 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 22.1 p -104.26 164.53 11.66 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.05 -36.52 79.79 Favored 'General case' 0 C--O 1.2 -1.51 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 72.5 p -63.57 -29.78 70.98 Favored 'General case' 0 C--O 1.266 1.96 0 C-N-CA 117.257 -1.777 . . . . 0.0 112.227 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -38.91 70.24 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 122.582 1.182 . . . . 0.0 110.899 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -91.17 4.5 52.08 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.631 -1.176 . . . . 0.0 112.912 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.92 45.43 18.27 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 121.687 2.04 . . . . 0.0 111.241 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.5 mm -88.71 116.29 30.12 Favored 'Isoleucine or valine' 0 C--O 1.27 2.171 0 CA-C-O 114.979 -2.439 . . . . 0.0 106.25 175.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 126.183 2.177 . . . . 0.0 109.706 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -54.86 142.93 27.49 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 123.178 1.465 . . . . 0.0 109.315 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.07 19.03 10.54 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.871 2.545 . . . . 0.0 117.871 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 6.1 t -71.04 159.63 34.39 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.04 126.62 52.12 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 118.165 -0.921 . . . . 0.0 108.776 175.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.497 ' CB ' ' CE2' ' B' ' 45' ' ' PHE . 1.5 pp -103.24 154.54 19.24 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 114.795 -2.526 . . . . 0.0 105.715 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.447 ' C ' HD12 ' B' ' 67' ' ' LEU . 0.9 OUTLIER -105.53 135.75 46.37 Favored 'General case' 0 C--N 1.284 -2.246 0 O-C-N 127.522 3.014 . . . . 0.0 105.742 178.011 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.04 115.8 30.82 Favored 'General case' 0 C--O 1.283 2.868 0 CA-C-O 117.696 -1.145 . . . . 0.0 111.462 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.531 ' HA ' HD21 ' B' ' 8' ' ' LEU . 46.3 t -108.05 139.97 28.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 103.449 -2.797 . . . . 0.0 103.449 175.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.582 ' C ' HD23 ' B' ' 71' ' ' LEU . 3.3 tt -96.2 -83.49 0.37 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.442 ' HA ' ' HA2' ' C' ' 101' ' ' GLY . 9.0 ttp85 173.78 -89.23 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.577 0 CA-C-O 113.4 -3.19 . . . . 0.0 105.405 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 mt 57.45 36.47 27.06 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 125.699 1.874 . . . . 0.0 109.665 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.35 -171.13 1.9 Allowed 'General case' 0 C--O 1.242 0.669 0 CA-C-N 113.826 -1.534 . . . . 0.0 108.705 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.59 59.16 0.03 OUTLIER Glycine 0 C--O 1.245 0.782 0 CA-C-N 114.851 -1.068 . . . . 0.0 115.185 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.481 0 CA-C-O 116.504 -2.275 . . . . 0.0 108.347 178.883 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 121.838 0.827 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 58.03 66.43 1.11 Allowed 'General case' 0 C--N 1.289 -2.064 0 O-C-N 119.119 -2.238 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.34 -64.11 1.26 Allowed 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 126.833 2.053 . . . . 0.0 110.628 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.06 137.95 31.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.536 -178.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.25 -39.57 74.95 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.662 0.744 . . . . 0.0 111.885 172.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 t -144.39 136.1 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 125.164 1.386 . . . . 0.0 107.413 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -144.29 148.12 34.41 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.574 165.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -161.05 155.19 22.79 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 124.222 0.951 . . . . 0.0 111.181 173.126 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.23 127.8 33.69 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.336 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.17 147.77 6.78 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.07 0.938 . . . . 0.0 110.057 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.92 25.14 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -179.27 3.79 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' MET . . . . . 0.54 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.13 161.04 37.22 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 32' ' ' SER . . . . . 0.54 ' N ' ' HG2' ' C' ' 31' ' ' MET . 12.5 p -136.66 156.56 48.37 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.042 -1.463 . . . . 0.0 108.75 177.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 mp -92.74 116.16 28.77 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -112.37 115.8 29.31 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -113.99 14.49 18.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.903 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -111.99 122.55 48.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.504 HG23 ' O ' ' C' ' 38' ' ' VAL . 35.2 m -76.14 120.03 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 174.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 59.4 m -124.05 119.31 26.6 Favored Pre-proline 0 C--O 1.245 0.846 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.216 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.89 134.9 59.76 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 CA-C-O 122.38 0.908 . . . . 0.0 111.828 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.77 132.15 34.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -11.24 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -172.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -67.12 144.44 56.08 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -173.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -68.15 125.55 26.73 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.3 171.35 21.52 Favored Glycine 0 C--N 1.317 -0.519 0 CA-C-O 123.2 1.445 . . . . 0.0 115.377 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 15.0 tp -128.44 124.37 36.06 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 175.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 45.4 t -91.03 137.52 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 164.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -151.84 157.8 42.38 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.991 0.9 . . . . 0.0 113.055 175.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 9.3 mt -118.86 131.07 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.572 -1.649 . . . . 0.0 108.327 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -134.05 137.6 44.78 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.38 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -100.18 122.06 42.42 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 170.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 14.7 p -83.97 171.08 13.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.321 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -10.37 59.66 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -170.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.71 7.43 14.95 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.283 -0.167 . . . . 0.0 111.003 170.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t 73.91 -1.35 3.09 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.387 1.475 . . . . 0.0 114.724 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.87 149.93 39.37 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 122.226 1.013 . . . . 0.0 113.082 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -102.24 129.15 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.116 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 12.3 m-70 -117.65 125.35 50.57 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -176.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -98.84 118.94 36.73 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 171.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 93.4 m -127.62 156.9 41.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -171.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -130.55 128.19 40.62 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.715 169.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -120.63 134.34 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.753 -176.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.21 115.31 13.57 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 173.337 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -64.01 -32.45 74.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 73.9 p -72.45 -46.17 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -175.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.46 -20.47 21.73 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.512 -176.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 2.72 60.53 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 39.5 t -84.19 109.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -94.52 -28.87 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.947 -171.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -121.94 135.6 54.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.808 0.813 . . . . 0.0 109.413 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -155.06 103.32 2.38 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 104.471 -2.418 . . . . 0.0 104.471 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.08 123.23 45.12 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.236 -174.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 23.7 pt -75.82 124.34 33.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.399 1.095 . . . . 0.0 111.661 168.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 16.1 mm -123.0 130.32 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.36 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.569 -174.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.26 159.05 30.58 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.498 1.124 . . . . 0.0 110.866 173.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.37 133.89 58.41 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.932 2.421 . . . . 0.0 111.282 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.54 6.79 5.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -175.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.36 -33.67 71.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.975 0.807 . . . . 0.0 109.543 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.401 ' SG ' HD21 ' C' ' 96' ' ' LEU . 26.6 p -154.9 168.22 27.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.481 -1.288 . . . . 0.0 113.639 -173.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -133.52 139.21 46.5 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.002 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -106.68 124.21 49.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -148.58 156.48 42.47 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -67.83 142.82 56.04 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.966 -1.015 . . . . 0.0 108.344 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 45.5 t -94.19 98.34 2.84 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 171.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -61.08 -31.95 91.21 Favored 'Trans proline' 0 C--N 1.328 -0.527 0 N-CA-C 117.745 2.171 . . . . 0.0 117.745 -167.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -91.05 8.6 34.65 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 117.868 -1.533 . . . . 0.0 112.236 -164.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 88' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 24.8 p -85.06 119.67 72.75 Favored Pre-proline 0 CA--C 1.515 -0.404 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.94 -19.92 34.22 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.425 -173.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 5.0 m -65.51 -34.61 78.68 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.406 0.548 . . . . 0.0 110.062 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.45 13.03 64.76 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.57 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -120.98 17.14 11.73 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 93' ' ' VAL . . . . . 0.646 HG22 ' CE3' ' C' ' 108' ' ' TRP . 16.3 t -97.14 133.53 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -125.1 151.77 45.26 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.514 1.759 . . . . 0.0 110.36 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 95' ' ' VAL . . . . . 0.445 HG22 ' HG3' ' C' ' 97' ' ' LYS . 8.2 p -127.01 135.36 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 96' ' ' LEU . . . . . 0.476 HD13 ' C ' ' C' ' 96' ' ' LEU . 3.4 tm? -95.49 108.15 20.36 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.115 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 97' ' ' LYS . . . . . 0.445 ' HG3' HG22 ' C' ' 95' ' ' VAL . 0.0 OUTLIER -109.28 125.2 52.04 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -171.097 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -84.79 115.64 22.83 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 124.154 0.909 . . . . 0.0 109.222 176.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -63.41 -25.18 68.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.412 -169.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.22 115.1 28.78 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 101' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' B' ' 72' ' ' ARG . . . 102.0 172.44 27.6 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -172.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 6.8 m -91.4 9.01 33.49 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 122.042 -0.681 . . . . 0.0 110.497 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -70.56 129.22 38.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.614 -165.033 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 141.81 46.05 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.869 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.58 126.18 45.37 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 171.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 106' ' ' PHE . . . . . 0.423 ' HB2' ' SD ' ' C' ' 31' ' ' MET . 30.8 m-85 -100.87 143.73 30.66 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.68 1.237 . . . . 0.0 110.339 -177.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 107' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' C' ' 108' ' ' TRP . 92.6 m-85 -137.17 156.61 48.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.233 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 108' ' ' TRP . . . . . 0.646 ' CE3' HG22 ' C' ' 93' ' ' VAL . 1.7 m0 -131.4 126.67 35.76 Favored 'General case' 0 N--CA 1.419 -1.979 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.45 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 109' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' C' ' 109' ' ' MET . 4.8 tmm? -62.7 137.78 58.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.272 -174.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -118.86 3.93 11.54 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.274 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 111' ' ' GLU . . . . . 0.431 ' O ' ' SD ' ' C' ' 109' ' ' MET . 8.8 tp10 -61.33 135.89 93.91 Favored Pre-proline 0 C--O 1.264 1.838 0 CA-C-O 123.165 1.46 . . . . 0.0 108.628 173.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.32 -41.27 42.99 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.559 -1.161 . . . . 0.0 112.447 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.12 146.96 24.22 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.513 173.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 11.9 t -83.53 -9.18 59.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.137 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -53.64 -33.75 56.24 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 123.37 0.668 . . . . 0.0 112.786 -169.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.23 5.81 37.83 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -174.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.307 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -69.84 -32.28 70.6 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.505 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -44.02 80.35 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-O 120.836 0.35 . . . . 0.0 110.949 175.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -55.59 -45.91 77.34 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.029 -1.044 . . . . 0.0 112.322 173.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 27.0 t -60.58 -43.08 97.73 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.712 0.768 . . . . 0.0 110.333 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -43.43 98.86 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.079 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -64.2 -42.32 96.7 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 15.8 t -52.23 -51.94 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.406 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 125' ' ' ASN . . . . . 0.506 ' HA ' HD23 ' C' ' 128' ' ' LEU . 0.4 OUTLIER -60.35 -39.53 87.48 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.773 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -45.94 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.477 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -79.07 -24.49 43.48 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.482 -0.887 . . . . 0.0 112.325 -174.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.07 -36.1 41.4 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.791 -0.764 . . . . 0.0 112.19 174.562 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 129' ' ' ASN . . . . . 0.449 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.78 -11.13 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -168.507 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -141.13 71.76 27.69 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 169.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -46.95 167.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.616 1.544 . . . . 0.0 111.59 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 0 C--N 1.291 -2.497 0 C-N-CA 122.517 2.145 . . . . 0.0 111.607 179.786 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -91.04 138.21 31.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 126.8 2.562 . . . . 0.0 108.92 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.4 pt -131.2 163.06 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.364 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 1.238 ' CZ ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -116.02 140.19 49.51 Favored 'General case' 0 N--CA 1.513 2.709 1 O-C-N 130.527 4.892 . . . . 0.0 108.8 179.627 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.04 114.29 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-O 113.42 -3.181 . . . . 0.0 105.545 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 1.238 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -95.24 127.63 41.44 Favored 'General case' 0 N--CA 1.505 2.325 1 O-C-N 129.297 4.123 . . . . 0.0 107.926 -178.22 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 11' ' ' LYS . 9.4 t -99.63 170.7 8.4 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.407 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD22 ' CE1' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -73.29 -6.92 49.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.221 0.95 . . . . 0.0 112.716 -178.014 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.522 ' H ' HG23 ' A' ' 7' ' ' THR . 0.7 OUTLIER -101.59 14.92 30.52 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.69 -2.404 . . . . 0.0 111.897 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.76 80.11 Favored Glycine 0 C--N 1.298 -1.544 0 O-C-N 120.181 -1.574 . . . . 0.0 116.107 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.702 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.47 138.15 34.49 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 174.931 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.568 ' HB ' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -119.98 131.72 55.26 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.606 2.441 . . . . 0.0 105.948 176.321 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.54 141.87 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 127.698 3.124 . . . . 0.0 108.936 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 t -101.42 139.68 36.75 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 117.169 -1.813 . . . . 0.0 108.169 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -126.39 153.99 44.2 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 115.432 -2.223 . . . . 0.0 108.345 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -111.79 121.05 44.02 Favored 'General case' 0 N--CA 1.499 2.006 1 O-C-N 129.26 4.1 . . . . 0.0 103.719 173.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.514 HG11 HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -138.99 170.57 15.99 Favored 'Isoleucine or valine' 0 C--O 1.255 1.353 0 O-C-N 127.537 3.023 . . . . 0.0 111.165 -177.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' ' OD2' ' A' ' 21' ' ' ASP . 2.1 pt-20 -119.9 144.49 37.52 Favored Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 112.353 -2.203 . . . . 0.0 106.381 174.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -55.09 -24.2 39.4 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.502 2.135 . . . . 0.0 111.94 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 p -80.12 -8.02 59.2 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.881 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' OD2' ' O ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -71.11 148.5 47.39 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 117.423 -1.711 . . . . 0.0 109.762 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.658 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.5 p -83.74 160.58 21.24 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 175.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.573 ' O ' HG22 ' A' ' 26' ' ' VAL . 14.1 mm -61.6 -37.01 76.91 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 O-C-N 127.065 2.728 . . . . 0.0 110.25 175.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.57 -40.18 78.37 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.221 -0.924 . . . . 0.0 110.779 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.26 -41.99 80.29 Favored 'General case' 0 C--O 1.263 1.805 0 O-C-N 121.816 -0.553 . . . . 0.0 110.978 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -58.2 -46.4 88.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 O-C-N 124.492 1.12 . . . . 0.0 109.192 178.146 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.805 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 6.7 mtpp -60.83 -37.93 83.71 Favored 'General case' 0 C--O 1.259 1.566 0 CA-C-O 118.866 -0.588 . . . . 0.0 110.682 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.13 -38.14 87.42 Favored 'General case' 0 C--O 1.277 2.534 0 CA-C-N 118.094 0.406 . . . . 0.0 111.156 176.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -64.11 -37.44 87.44 Favored 'General case' 0 C--O 1.255 1.351 0 CA-C-O 123.087 1.422 . . . . 0.0 110.786 176.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.506 HD13 HE22 ' A' ' 41' ' ' GLN . 1.8 mt -69.92 -39.6 77.77 Favored 'Isoleucine or valine' 0 C--O 1.251 1.158 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 1.166 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -62.25 -48.72 78.71 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.578 2.609 . . . . 0.0 109.09 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.14 -41.85 65.49 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.544 -1.662 . . . . 0.0 111.962 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 1.9 tptm -93.54 -24.25 18.03 Favored 'General case' 0 C--O 1.28 2.696 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -123.4 -6.51 8.18 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 123.156 2.707 . . . . 0.0 114.229 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.62 89.97 Favored Glycine 0 CA--C 1.479 -2.2 0 N-CA-C 118.849 2.3 . . . . 0.0 118.849 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.166 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 7.9 mt -79.73 124.82 83.34 Favored Pre-proline 0 C--O 1.245 0.834 0 C-N-CA 118.805 -1.158 . . . . 0.0 110.943 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -56.87 136.76 78.36 Favored 'Trans proline' 0 C--O 1.26 1.609 0 C-N-CA 123.337 2.692 . . . . 0.0 110.833 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.802 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 27.3 Cg_exo -57.16 -31.91 91.9 Favored 'Trans proline' 0 C--O 1.263 1.755 0 O-C-N 122.967 0.983 . . . . 0.0 113.616 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.48 -15.39 63.53 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 119.777 -1.827 . . . . 0.0 112.163 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -96.01 -10.22 29.09 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 120.749 -1.22 . . . . 0.0 111.985 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.506 HE22 HD13 ' A' ' 30' ' ' ILE . 6.4 mt-30 -84.84 129.58 34.79 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.326 2.012 . . . . 0.0 115.724 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -121.1 116.14 24.44 Favored 'General case' 0 C--O 1.3 3.743 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 171.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 mp -103.51 130.1 50.83 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 119.481 1.037 . . . . 0.0 109.904 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.589 HD12 ' OD1' ' C' ' 79' ' ' ASP . 0.1 OUTLIER -122.03 131.89 72.14 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 O-C-N 125.192 1.558 . . . . 0.0 111.89 -177.581 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -144.36 129.59 18.72 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.434 -2.062 . . . . 0.0 105.434 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 46.06 19.79 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 112.278 -2.237 . . . . 0.0 110.719 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.411 ' HA3' ' CD2' ' C' ' 98' ' ' PHE . . . 61.69 21.72 61.0 Favored Glycine 0 N--CA 1.432 -1.567 0 C-N-CA 128.715 3.055 . . . . 0.0 117.357 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -115.01 142.78 46.17 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -85.82 130.26 34.6 Favored 'General case' 0 C--O 1.257 1.482 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 174.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.48 138.11 37.45 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 117.66 -1.162 . . . . 0.0 110.202 -175.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -101.73 140.07 36.51 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.092 1.495 . . . . 0.0 109.954 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -47.91 -42.51 27.32 Favored 'General case' 0 C--O 1.264 1.837 0 N-CA-C 120.831 3.641 . . . . 0.0 120.831 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.59 -8.98 85.36 Favored Glycine 0 CA--C 1.489 -1.545 0 N-CA-C 116.222 1.249 . . . . 0.0 116.222 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -85.39 165.39 17.26 Favored 'General case' 0 C--O 1.25 1.132 0 O-C-N 119.863 -1.963 . . . . 0.0 107.971 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 11.3 p -104.51 164.87 11.45 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 177.029 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.514 HD12 HG11 ' A' ' 17' ' ' VAL . 1.2 mt -61.61 -35.94 79.3 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 p -64.32 -29.37 70.45 Favored 'General case' 0 C--O 1.266 1.969 0 C-N-CA 117.252 -1.779 . . . . 0.0 112.153 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.55 -39.51 70.7 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.467 1.127 . . . . 0.0 110.706 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -90.82 4.6 51.28 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.973 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 58.12 45.17 18.04 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 121.596 1.998 . . . . 0.0 111.189 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.505 HD13 HD22 ' A' ' 56' ' ' LEU . 4.0 mt -88.68 116.49 30.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.988 0 CA-C-O 115.175 -2.345 . . . . 0.0 106.263 175.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.44 169.62 8.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 126.025 2.078 . . . . 0.0 109.43 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.81 28.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 123.182 1.468 . . . . 0.0 109.178 -176.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 67.11 19.17 10.47 Favored 'General case' 0 C--O 1.254 1.34 0 N-CA-C 118.001 2.593 . . . . 0.0 118.001 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p -71.08 159.59 34.44 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.68 ' HB ' ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -119.16 126.75 52.33 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 118.192 -0.909 . . . . 0.0 108.806 175.79 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -103.2 154.61 19.15 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 114.876 -2.488 . . . . 0.0 105.629 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' ILE . 9.5 t60 -105.65 135.63 46.71 Favored 'General case' 0 C--N 1.287 -2.125 0 O-C-N 127.296 2.872 . . . . 0.0 105.861 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.454 HD13 ' OE1' ' A' ' 41' ' ' GLN . 6.6 tp -106.85 115.78 30.78 Favored 'General case' 0 C--O 1.284 2.92 0 CA-C-O 117.607 -1.187 . . . . 0.0 111.442 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.464 HG21 ' CE1' ' C' ' 76' ' ' PHE . 4.5 t -108.1 139.83 28.83 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 175.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.95 138.84 33.01 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.203 0.525 . . . . 0.0 109.887 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -173.28 132.25 0.48 Allowed 'General case' 0 C--N 1.278 -2.506 0 CA-C-O 113.114 -3.327 . . . . 0.0 105.532 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.7 tp -75.76 -81.7 0.08 Allowed 'General case' 0 C--N 1.289 -2.033 0 O-C-N 125.866 1.978 . . . . 0.0 109.569 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.18 171.81 19.77 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.856 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.08 98.53 0.01 OUTLIER Glycine 0 C--O 1.246 0.881 0 CA-C-N 114.605 -1.18 . . . . 0.0 115.094 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.519 0 N-CA-C 108.303 -1.919 . . . . 0.0 108.303 179.367 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 mtt . . . . . 0 CA--C 1.549 0.919 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 16.0 mm-40 -90.9 138.43 31.6 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 127.144 2.778 . . . . 0.0 108.86 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.16 163.05 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.299 0 CA-C-O 115.732 -2.08 . . . . 0.0 105.938 173.227 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.474 ' CZ ' HG23 ' B' ' 14' ' ' THR . 0.9 OUTLIER -115.93 140.09 49.59 Favored 'General case' 0 N--CA 1.513 2.699 1 O-C-N 130.614 4.946 . . . . 0.0 108.652 179.797 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.91 114.11 44.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 113.496 -3.145 . . . . 0.0 105.836 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.07 127.55 41.21 Favored 'General case' 0 N--CA 1.502 2.147 1 O-C-N 129.112 4.007 . . . . 0.0 108.236 -178.188 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 52.1 p -99.57 170.87 8.29 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.787 -1.102 . . . . 0.0 109.266 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.599 ' H ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.37 -7.0 49.8 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 124.144 0.902 . . . . 0.0 112.875 -178.266 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.0 t -101.23 14.84 30.71 Favored 'General case' 0 N--CA 1.506 2.328 0 C-N-CA 115.705 -2.398 . . . . 0.0 111.947 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.7 80.09 Favored Glycine 0 C--N 1.295 -1.715 0 O-C-N 120.192 -1.568 . . . . 0.0 116.066 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.25 137.87 34.69 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 174.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.89 132.01 55.42 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 126.358 2.286 . . . . 0.0 106.223 176.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 tp -109.58 141.84 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.693 3.121 . . . . 0.0 109.022 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.474 HG23 ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -101.29 139.85 36.39 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 116.985 -1.886 . . . . 0.0 108.344 177.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.46 154.11 44.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 115.564 -2.16 . . . . 0.0 108.374 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -111.81 121.26 44.59 Favored 'General case' 0 N--CA 1.495 1.819 1 O-C-N 129.145 4.028 . . . . 0.0 103.511 173.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.21 170.61 15.7 Favored 'Isoleucine or valine' 0 C--O 1.253 1.266 0 O-C-N 127.796 3.185 . . . . 0.0 111.199 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.93 144.6 37.79 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.09 -2.323 . . . . 0.0 106.353 174.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -54.94 -24.73 40.63 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 122.713 2.275 . . . . 0.0 111.531 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -79.85 -8.22 59.16 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.923 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.01 148.49 47.56 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.746 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -83.81 160.56 21.17 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 19.4 mm -61.49 -36.78 75.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 127.042 2.714 . . . . 0.0 110.353 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.786 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.12 -42.93 77.66 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 120.398 -1.439 . . . . 0.0 111.014 176.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -64.47 -44.55 90.7 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 124.245 1.018 . . . . 0.0 111.351 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.6 -46.33 90.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.933 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -60.7 -37.95 83.4 Favored 'General case' 0 C--O 1.254 1.342 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.858 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.07 86.89 Favored 'General case' 0 C--O 1.279 2.626 0 O-C-N 123.384 0.427 . . . . 0.0 111.334 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -63.96 -37.37 87.15 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 120.41 -1.431 . . . . 0.0 110.917 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.0 mt -69.76 -39.73 78.29 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -48.86 78.52 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.514 2.578 . . . . 0.0 109.009 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -41.79 66.13 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.89 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.322 6.1 tptm -93.43 -24.26 18.11 Favored 'General case' 0 C--O 1.281 2.744 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 -175.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.66 -6.3 8.05 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 122.935 2.607 . . . . 0.0 113.858 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.92 5.66 89.96 Favored Glycine 0 CA--C 1.477 -2.305 0 N-CA-C 118.836 2.294 . . . . 0.0 118.836 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.482 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.8 mt -80.0 125.07 82.61 Favored Pre-proline 0 C--O 1.241 0.647 0 C-N-CA 118.682 -1.207 . . . . 0.0 110.989 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 91.6 Cg_exo -57.14 137.03 80.0 Favored 'Trans proline' 0 C--O 1.257 1.431 0 C-N-CA 122.971 2.447 . . . . 0.0 110.865 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -57.25 -32.15 92.81 Favored 'Trans proline' 0 C--O 1.261 1.647 0 O-C-N 122.98 0.989 . . . . 0.0 113.351 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -68.26 -15.71 63.68 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 119.948 -1.72 . . . . 0.0 112.242 -177.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.791 ' HB3' HD11 ' B' ' 71' ' ' LEU . 74.4 mm-40 -95.47 -10.6 29.37 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 120.524 -1.36 . . . . 0.0 112.252 178.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -84.84 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.264 1.983 . . . . 0.0 115.753 -177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 0.0 OUTLIER -121.17 116.09 24.28 Favored 'General case' 0 C--O 1.298 3.606 0 N-CA-C 104.812 -2.292 . . . . 0.0 104.812 172.181 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.499 ' C ' HD13 ' B' ' 44' ' ' ILE . 4.0 mm? -103.62 130.22 51.03 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 119.46 1.027 . . . . 0.0 109.914 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.499 HD13 ' C ' ' B' ' 43' ' ' LEU . 0.5 OUTLIER -121.91 131.62 72.71 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 O-C-N 125.117 1.51 . . . . 0.0 112.048 -177.619 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.21 129.85 19.13 Favored 'General case' 0 C--N 1.359 0.98 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 45.89 19.73 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 111.988 -2.369 . . . . 0.0 110.705 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.19 59.63 Favored Glycine 0 C--N 1.298 -1.544 0 C-N-CA 128.284 2.849 . . . . 0.0 117.397 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -109.83 143.81 39.17 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 115.335 -2.269 . . . . 0.0 110.996 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -87.17 130.35 34.58 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.5 mt -79.67 138.41 37.36 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 117.626 -1.178 . . . . 0.0 110.091 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -101.88 139.9 36.89 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 125.28 1.613 . . . . 0.0 110.009 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.786 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 1.1 p30 -48.17 -42.11 28.79 Favored 'General case' 0 C--O 1.263 1.795 0 N-CA-C 120.78 3.622 . . . . 0.0 120.78 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.15 -8.61 85.25 Favored Glycine 0 CA--C 1.494 -1.268 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.53 165.24 17.26 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.189 -1.771 . . . . 0.0 108.006 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 21.1 p -104.41 164.4 11.77 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.445 HD22 HD13 ' B' ' 61' ' ' ILE . 33.3 mt -61.0 -36.31 79.13 Favored 'General case' 0 C--O 1.201 -1.457 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.7 m -63.75 -29.61 70.8 Favored 'General case' 0 C--O 1.267 2.016 0 C-N-CA 117.291 -1.764 . . . . 0.0 112.245 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -55.76 -39.0 70.6 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.567 1.175 . . . . 0.0 110.731 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -91.16 4.5 52.07 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 117.625 -1.179 . . . . 0.0 112.866 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.95 45.39 18.25 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 121.607 2.003 . . . . 0.0 111.301 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.445 HD13 HD22 ' B' ' 56' ' ' LEU . 20.8 mt -88.75 116.31 30.18 Favored 'Isoleucine or valine' 0 C--O 1.27 2.176 0 CA-C-O 115.029 -2.415 . . . . 0.0 106.234 175.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -103.39 169.52 8.49 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 126.163 2.164 . . . . 0.0 109.743 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.82 142.92 27.34 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 123.115 1.436 . . . . 0.0 109.305 -176.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 66.96 19.23 10.62 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 117.744 2.498 . . . . 0.0 117.744 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.12 159.6 34.4 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 174.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.07 126.62 52.1 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 118.228 -0.891 . . . . 0.0 108.784 175.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.22 154.59 19.18 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 114.727 -2.558 . . . . 0.0 105.696 175.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -105.57 135.8 46.31 Favored 'General case' 0 C--N 1.284 -2.272 0 O-C-N 127.574 3.046 . . . . 0.0 105.701 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 tt -107.19 115.87 30.93 Favored 'General case' 0 C--O 1.282 2.784 0 CA-C-O 117.731 -1.128 . . . . 0.0 111.399 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' B' ' 42' ' ' ARG . 33.8 m -108.21 139.97 28.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 103.4 -2.815 . . . . 0.0 103.4 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.11 -83.39 0.37 Allowed 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.051 0.453 . . . . 0.0 109.857 178.394 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 63.94 99.71 0.04 OUTLIER 'General case' 0 C--N 1.277 -2.554 0 CA-C-O 113.489 -3.148 . . . . 0.0 105.453 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.24 -72.86 0.3 Allowed 'General case' 0 C--N 1.294 -1.837 0 O-C-N 125.606 1.817 . . . . 0.0 109.691 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.22 167.14 30.32 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.82 -1.536 . . . . 0.0 108.688 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.68 -113.64 0.51 Allowed Glycine 0 C--O 1.245 0.786 0 CA-C-N 114.788 -1.096 . . . . 0.0 115.19 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.443 0 CA-C-O 116.526 -2.264 . . . . 0.0 108.285 179.12 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 CA--C 1.511 -0.548 0 CA-C-O 121.9 0.857 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 57.79 88.94 0.05 Allowed 'General case' 0 C--N 1.289 -2.024 0 O-C-N 119.09 -2.256 . . . . 0.0 111.045 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.41 163.65 27.45 Favored 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.76 2.024 . . . . 0.0 110.675 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -89.06 137.95 31.85 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.536 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.623 ' HB2' HG23 ' C' ' 49' ' ' ILE . 0.4 OUTLIER -70.28 -39.6 74.82 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.699 0.761 . . . . 0.0 111.844 172.476 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.675 ' HB ' HG22 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.31 136.1 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 107.426 -178.222 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.38 148.04 34.18 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.572 165.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -161.01 155.18 22.85 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.241 0.963 . . . . 0.0 111.21 173.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -72.26 127.87 33.9 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.181 -1.372 . . . . 0.0 112.307 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.098 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.99 164.89 25.17 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 108.247 -1.941 . . . . 0.0 108.247 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 -179.2 3.77 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 31' ' ' MET . . . . . 0.733 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.3 mpt? -137.07 161.09 37.04 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 174.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 87.8 p -136.67 156.54 48.4 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.067 -1.453 . . . . 0.0 108.734 177.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mp -92.73 116.17 28.77 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 115.81 29.33 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 172.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 10.4 t -113.92 14.52 18.52 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.37 -0.415 . . . . 0.0 109.958 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -112.06 122.48 47.87 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 85.0 t -76.09 120.06 25.35 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 50.4 m -124.14 119.28 26.49 Favored Pre-proline 0 C--O 1.245 0.856 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.222 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' PRO . . . . . 0.733 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 32.3 Cg_exo -59.91 134.79 59.01 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.956 -0.896 . . . . 0.0 111.846 173.455 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -85.68 132.16 34.2 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.95 -11.17 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.28 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -67.08 144.37 56.15 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -68.04 125.55 26.68 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 171.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.34 171.25 21.57 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.316 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -128.43 124.37 36.06 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 15.9 t -90.91 137.63 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 164.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -151.95 157.76 42.22 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.973 0.892 . . . . 0.0 113.015 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.777 HG13 ' CE1' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -118.81 131.07 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.591 -1.641 . . . . 0.0 108.321 174.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -134.02 137.68 44.89 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -100.25 122.06 42.45 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 170.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 68.4 p -83.99 171.16 13.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.33 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.54 -10.51 59.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -170.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -82.7 7.48 14.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.014 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.87 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.458 1.503 . . . . 0.0 114.684 -177.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.89 149.86 39.36 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 122.165 0.983 . . . . 0.0 113.034 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -102.15 129.08 54.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.138 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.61 125.3 50.52 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -176.579 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.74 119.0 36.74 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.196 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 91.4 m -127.63 156.88 41.61 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -130.5 128.26 40.83 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.738 169.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -120.65 134.25 55.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.773 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.22 115.36 13.63 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -64.0 -32.44 73.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -176.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 65' ' ' THR . . . . . 0.468 HG23 ' N ' ' C' ' 66' ' ' SER . 5.5 t -72.51 -46.14 56.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -175.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 66' ' ' SER . . . . . 0.468 ' N ' HG23 ' C' ' 65' ' ' THR . 0.0 OUTLIER -91.44 -20.53 21.68 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.516 -176.668 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.53 2.76 60.79 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -72.52 130.0 39.61 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.679 1.24 . . . . 0.0 113.159 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.2 109.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.49 -28.89 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.942 -171.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.02 135.6 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.838 0.828 . . . . 0.0 109.386 177.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -155.04 103.31 2.38 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.06 123.21 45.1 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.253 -174.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 pt -75.83 124.36 33.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.384 1.087 . . . . 0.0 111.721 168.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.882 HG21 HD13 ' C' ' 128' ' ' LEU . 46.9 mm -123.02 130.29 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.381 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.597 -174.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 76' ' ' PHE . . . . . 0.475 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 1.2 p90 -101.24 158.98 30.76 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.403 1.064 . . . . 0.0 110.885 173.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -54.37 133.88 58.37 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.915 2.41 . . . . 0.0 111.264 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.59 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 79' ' ' ASP . . . . . 0.589 ' OD1' HD12 ' A' ' 44' ' ' ILE . 6.3 t0 -70.45 -33.61 71.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.038 0.835 . . . . 0.0 109.563 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 29.1 p -154.87 168.12 27.97 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.536 -1.266 . . . . 0.0 113.635 -173.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -133.45 139.31 46.63 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.468 -1.696 . . . . 0.0 106.992 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.6 ' CE1' HD13 ' C' ' 96' ' ' LEU . 2.7 m-85 -106.76 124.19 49.25 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -148.54 156.43 42.43 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -177.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -67.75 142.79 56.15 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.486 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.18 98.33 2.82 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 171.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -61.02 -31.96 91.75 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 N-CA-C 117.814 2.198 . . . . 0.0 117.814 -167.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.09 8.59 34.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.207 -164.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.05 119.64 72.72 Favored Pre-proline 0 CA--C 1.516 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.96 -19.86 34.06 Favored 'Trans proline' 0 C--N 1.346 0.421 0 O-C-N 123.054 1.028 . . . . 0.0 114.422 -173.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 83.2 p -65.5 -34.63 78.71 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.437 0.562 . . . . 0.0 110.083 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.03 64.87 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.529 -172.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -121.09 17.18 11.64 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 45.2 t -97.06 133.42 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 173.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 94' ' ' TYR . . . . . 0.749 ' CD1' ' HB2' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -125.05 151.74 45.22 Favored 'General case' 0 CA--C 1.499 -0.988 0 O-C-N 125.509 1.756 . . . . 0.0 110.448 178.588 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 95' ' ' VAL . . . . . 0.568 ' N ' ' CD2' ' C' ' 94' ' ' TYR . 1.3 m -126.94 135.33 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 96' ' ' LEU . . . . . 0.6 HD13 ' CE1' ' C' ' 82' ' ' PHE . 0.2 OUTLIER -95.43 108.1 20.29 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 169.151 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -109.17 125.15 51.9 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -171.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.411 ' CD2' ' HA3' ' A' ' 47' ' ' GLY . 77.8 m-85 -84.77 115.72 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.052 0.845 . . . . 0.0 109.195 176.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -63.5 -25.09 68.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.429 -169.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.556 ' HB3' HD11 ' A' ' 44' ' ' ILE . . . -111.31 115.21 28.93 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 173.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 101' ' ' GLY . . . . . 0.552 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.91 172.39 27.71 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -172.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.38 9.08 33.12 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.099 -0.648 . . . . 0.0 110.588 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -70.63 129.17 38.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 117.882 -1.527 . . . . 0.0 110.573 -165.068 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 141.75 46.28 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.943 175.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.53 126.2 45.45 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 171.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 106' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' C' ' 106' ' ' PHE . 1.4 m-85 -100.94 143.68 30.79 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 124.698 1.249 . . . . 0.0 110.281 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 107' ' ' PHE . . . . . 0.749 ' HB2' ' CD1' ' C' ' 94' ' ' TYR . 54.3 m-85 -137.1 156.68 48.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.234 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -131.43 126.54 35.35 Favored 'General case' 0 N--CA 1.42 -1.968 0 C-N-CA 119.581 -0.848 . . . . 0.0 110.388 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.66 137.74 58.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.278 -174.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -118.87 3.99 11.52 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.213 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 135.84 93.86 Favored Pre-proline 0 C--O 1.265 1.913 0 CA-C-O 123.028 1.394 . . . . 0.0 108.705 172.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.21 -41.32 43.51 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.609 -1.127 . . . . 0.0 112.444 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -96.17 146.9 24.29 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.482 173.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 27.9 p -83.48 -9.19 59.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.166 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -33.81 56.29 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.403 0.681 . . . . 0.0 112.77 -169.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.19 5.8 37.93 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -174.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -48.82 77.35 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.97 -1.092 . . . . 0.0 110.252 -177.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.3 70.73 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.576 -173.474 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -44.02 80.24 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.856 0.36 . . . . 0.0 110.91 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -55.61 -45.84 77.44 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.026 -1.046 . . . . 0.0 112.301 173.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 121' ' ' CYS . . . . . 0.85 ' O ' HG22 ' C' ' 124' ' ' VAL . 1.3 m -60.7 -43.06 98.26 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.681 0.753 . . . . 0.0 110.287 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -43.52 98.67 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.074 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -64.19 -42.34 96.7 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 124' ' ' VAL . . . . . 1.088 ' HA ' ' CE2' ' C' ' 127' ' ' TYR . 16.8 m -52.33 -51.94 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.336 175.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 125' ' ' ASN . . . . . 0.498 ' N ' HG23 ' C' ' 124' ' ' VAL . 1.4 m-20 -60.28 -39.52 87.15 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -45.96 82.35 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.51 -178.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 127' ' ' TYR . . . . . 1.088 ' CE2' ' HA ' ' C' ' 124' ' ' VAL . 0.6 OUTLIER -79.07 -24.49 43.49 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.38 -174.597 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.882 HD13 HG21 ' C' ' 75' ' ' ILE . 5.9 mt -78.97 -36.08 42.03 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.771 -0.771 . . . . 0.0 112.322 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -110.79 -11.13 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -168.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -141.15 71.83 27.5 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -46.17 108.8 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.592 1.528 . . . . 0.0 111.634 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo . . . . . 0 C--N 1.29 -2.538 0 C-N-CA 122.422 2.081 . . . . 0.0 111.573 179.804 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptt? . . . . . 0 CA--C 1.549 0.927 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -91.12 138.19 31.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 126.856 2.597 . . . . 0.0 108.884 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 pp -131.22 162.97 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.372 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.0 140.22 49.47 Favored 'General case' 0 N--CA 1.512 2.663 1 O-C-N 130.496 4.873 . . . . 0.0 108.787 179.582 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.7 t -118.06 114.2 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 113.4 -3.191 . . . . 0.0 105.602 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -95.13 127.58 41.29 Favored 'General case' 0 N--CA 1.506 2.363 1 O-C-N 129.354 4.159 . . . . 0.0 107.95 -178.151 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -99.61 170.81 8.33 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.294 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -6.85 48.97 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.046 0.841 . . . . 0.0 112.697 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -101.55 14.97 30.36 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 115.754 -2.379 . . . . 0.0 111.936 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.79 80.21 Favored Glycine 0 C--N 1.297 -1.588 0 O-C-N 120.205 -1.56 . . . . 0.0 116.154 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 138.13 34.57 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 p -119.95 131.67 55.27 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 126.675 2.484 . . . . 0.0 105.928 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.53 141.98 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 127.738 3.149 . . . . 0.0 108.956 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -101.37 139.78 36.56 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.17 -1.812 . . . . 0.0 108.083 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -126.47 154.06 44.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 115.458 -2.211 . . . . 0.0 108.311 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -111.86 121.0 43.85 Favored 'General case' 0 N--CA 1.499 1.99 1 O-C-N 129.204 4.065 . . . . 0.0 103.639 173.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.92 170.6 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.335 0 O-C-N 127.477 2.986 . . . . 0.0 111.175 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -119.96 144.52 37.68 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 112.395 -2.184 . . . . 0.0 106.256 174.643 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -55.03 -24.26 39.17 Favored 'Trans proline' 0 C--N 1.321 -0.894 0 C-N-CA 122.481 2.121 . . . . 0.0 111.993 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 p -80.08 -8.1 59.22 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.857 -177.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 21' ' ' ASP . 30.2 p-10 -71.15 148.38 47.44 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 117.505 -1.678 . . . . 0.0 109.81 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.67 160.5 21.32 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 29.9 mm -61.44 -37.14 77.06 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 O-C-N 127.137 2.773 . . . . 0.0 110.212 175.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -57.5 -40.27 78.29 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.303 -0.873 . . . . 0.0 110.793 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.13 -42.01 80.8 Favored 'General case' 0 C--O 1.262 1.716 0 O-C-N 121.872 -0.517 . . . . 0.0 110.998 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.412 HG21 HD11 ' A' ' 56' ' ' LEU . 2.7 t -58.22 -46.36 88.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 O-C-N 124.461 1.1 . . . . 0.0 109.173 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -60.93 -37.92 83.98 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-O 118.803 -0.617 . . . . 0.0 110.683 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.17 87.56 Favored 'General case' 0 C--O 1.277 2.523 0 CA-C-N 118.107 0.412 . . . . 0.0 111.117 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -37.49 87.64 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-O 123.082 1.42 . . . . 0.0 110.678 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.8 mm -69.95 -39.58 77.66 Favored 'Isoleucine or valine' 0 C--O 1.251 1.155 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -48.72 78.82 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 125.556 2.598 . . . . 0.0 109.136 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -41.71 65.73 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.39 -1.732 . . . . 0.0 111.991 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -93.67 -24.14 17.98 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 -175.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -123.46 -6.48 8.15 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 123.129 2.695 . . . . 0.0 114.23 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.6 90.0 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.948 2.339 . . . . 0.0 118.948 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 66.2 mt -79.73 124.83 83.33 Favored Pre-proline 0 C--O 1.244 0.803 0 C-N-CA 118.761 -1.176 . . . . 0.0 110.945 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 82.5 Cg_exo -57.02 136.85 79.15 Favored 'Trans proline' 0 C--O 1.259 1.537 0 C-N-CA 123.361 2.707 . . . . 0.0 110.715 178.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.7 Cg_exo -57.18 -31.94 92.01 Favored 'Trans proline' 0 C--O 1.263 1.761 0 O-C-N 122.925 0.96 . . . . 0.0 113.647 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.47 -15.33 63.51 Favored 'General case' 0 C--O 1.262 1.748 0 O-C-N 119.872 -1.767 . . . . 0.0 112.306 -177.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.95 -10.27 29.09 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 120.64 -1.287 . . . . 0.0 112.079 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -84.92 129.59 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.453 2.073 . . . . 0.0 115.792 -177.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 116.09 24.41 Favored 'General case' 0 C--O 1.299 3.703 0 N-CA-C 105.037 -2.209 . . . . 0.0 105.037 171.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.452 ' O ' HD12 ' A' ' 50' ' ' LEU . 84.7 mt -103.5 130.19 50.83 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 119.566 1.075 . . . . 0.0 109.998 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.416 HG21 ' OD2' ' C' ' 79' ' ' ASP . 1.6 mp -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 O-C-N 125.088 1.493 . . . . 0.0 111.852 -177.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 1.011 ' O ' ' OH ' ' A' ' 59' ' ' TYR . 28.1 t80 -144.32 129.5 18.68 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.22 46.1 19.92 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 112.277 -2.238 . . . . 0.0 110.76 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.53 21.8 60.74 Favored Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 128.668 3.033 . . . . 0.0 117.549 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 17.7 mmtp -115.1 142.85 46.09 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 177.634 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.86 130.31 34.59 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 174.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 43' ' ' LEU . 4.8 mp -79.44 138.08 37.47 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 117.622 -1.18 . . . . 0.0 110.196 -176.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.73 140.17 36.37 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 125.099 1.499 . . . . 0.0 109.983 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.2 m-20 -48.07 -42.44 28.64 Favored 'General case' 0 C--O 1.263 1.801 0 N-CA-C 120.752 3.612 . . . . 0.0 120.752 -175.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.72 -8.88 85.38 Favored Glycine 0 CA--C 1.49 -1.488 0 N-CA-C 116.139 1.216 . . . . 0.0 116.139 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -85.42 165.37 17.25 Favored 'General case' 0 C--O 1.251 1.151 0 O-C-N 119.822 -1.987 . . . . 0.0 107.986 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 17.5 p -104.54 164.85 11.46 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 176.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.412 HD11 HG21 ' A' ' 26' ' ' VAL . 4.6 mp -61.58 -35.97 79.33 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 177.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -29.56 70.66 Favored 'General case' 0 C--O 1.267 2.004 0 C-N-CA 117.264 -1.774 . . . . 0.0 112.198 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -55.41 -39.54 70.33 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 122.451 1.12 . . . . 0.0 110.741 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 1.011 ' OH ' ' O ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.88 4.81 50.84 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 117.79 -1.1 . . . . 0.0 113.088 179.107 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.95 45.29 18.4 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 121.537 1.972 . . . . 0.0 111.266 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 mt -88.78 116.57 30.64 Favored 'Isoleucine or valine' 0 C--O 1.266 1.962 0 CA-C-O 115.238 -2.315 . . . . 0.0 106.15 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.412 ' CB ' HD12 ' B' ' 73' ' ' LEU . 0.1 OUTLIER -103.48 169.67 8.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 126.018 2.074 . . . . 0.0 109.441 -176.724 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -54.95 142.94 27.91 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.169 1.461 . . . . 0.0 109.119 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 67.02 19.21 10.57 Favored 'General case' 0 C--O 1.254 1.305 0 N-CA-C 118.002 2.593 . . . . 0.0 118.002 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.442 ' OG ' HD23 ' B' ' 73' ' ' LEU . 30.8 m -71.22 159.58 34.38 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.14 126.74 52.31 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 118.121 -0.942 . . . . 0.0 108.805 175.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -103.14 154.54 19.19 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 114.718 -2.563 . . . . 0.0 105.63 175.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.7 t60 -105.69 135.62 46.77 Favored 'General case' 0 C--N 1.286 -2.156 0 O-C-N 127.436 2.96 . . . . 0.0 105.817 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.0 tp -106.88 115.87 30.93 Favored 'General case' 0 C--O 1.284 2.912 0 CA-C-O 117.656 -1.164 . . . . 0.0 111.423 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 t -108.16 139.91 28.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -96.08 138.88 33.06 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.207 0.527 . . . . 0.0 109.868 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -73.31 122.46 22.04 Favored 'General case' 0 C--N 1.278 -2.531 0 CA-C-O 113.212 -3.28 . . . . 0.0 105.552 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 mt -77.36 108.07 10.24 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 125.926 2.016 . . . . 0.0 109.523 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.47 109.69 7.8 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 113.62 -1.627 . . . . 0.0 108.865 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.96 -39.89 0.03 OUTLIER Glycine 0 C--O 1.247 0.946 0 CA-C-N 114.591 -1.186 . . . . 0.0 115.097 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.485 0 N-CA-C 108.293 -1.923 . . . . 0.0 108.293 179.57 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.4 mtp . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.96 138.42 31.61 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 127.085 2.741 . . . . 0.0 108.807 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.609 HD13 HD23 ' B' ' 67' ' ' LEU . 2.7 pp -131.05 163.09 37.92 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 CA-C-O 115.739 -2.077 . . . . 0.0 105.896 173.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -116.02 140.11 49.59 Favored 'General case' 0 N--CA 1.514 2.745 1 O-C-N 130.638 4.961 . . . . 0.0 108.604 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.86 114.06 44.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.796 175.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -95.06 127.48 41.16 Favored 'General case' 0 N--CA 1.502 2.147 1 O-C-N 129.227 4.079 . . . . 0.0 108.165 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.1 p -99.52 170.87 8.3 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.233 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.841 HD22 ' H ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.43 -7.0 49.92 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 124.078 0.861 . . . . 0.0 112.891 -178.3 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -101.22 14.88 30.57 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 115.627 -2.429 . . . . 0.0 112.041 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.72 80.09 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 120.144 -1.598 . . . . 0.0 116.037 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -96.23 137.86 34.69 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.91 131.93 55.38 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 126.367 2.292 . . . . 0.0 106.216 176.093 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.47 141.79 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 127.77 3.169 . . . . 0.0 109.131 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.09 139.88 36.16 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 117.05 -1.86 . . . . 0.0 108.386 177.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.65 154.04 44.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 115.553 -2.165 . . . . 0.0 108.354 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.79 121.09 44.15 Favored 'General case' 0 N--CA 1.495 1.808 1 O-C-N 129.234 4.084 . . . . 0.0 103.547 174.153 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.01 170.6 15.94 Favored 'Isoleucine or valine' 0 C--O 1.255 1.352 0 O-C-N 127.721 3.138 . . . . 0.0 111.246 -177.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 144.6 37.99 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 112.12 -2.309 . . . . 0.0 106.391 174.537 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.86 -24.76 40.18 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 C-N-CA 122.778 2.318 . . . . 0.0 111.559 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -8.3 59.2 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 121.107 -0.995 . . . . 0.0 110.923 -177.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.87 148.46 47.76 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 117.432 -1.707 . . . . 0.0 109.772 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -83.94 160.52 21.06 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 1.273 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.42 -36.71 74.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 126.964 2.665 . . . . 0.0 110.419 175.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.791 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.13 -42.99 77.77 Favored 'General case' 0 C--O 1.251 1.165 0 O-C-N 120.352 -1.467 . . . . 0.0 110.98 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -64.31 -44.59 91.11 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.183 0.993 . . . . 0.0 111.487 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.57 -46.33 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.194 -1.366 . . . . 0.0 108.935 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.564 ' HE2' HD11 ' B' ' 23' ' ' ILE . 2.5 mtmt -60.73 -37.99 83.63 Favored 'General case' 0 C--O 1.256 1.437 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.821 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.95 86.57 Favored 'General case' 0 C--O 1.278 2.563 0 O-C-N 123.356 0.41 . . . . 0.0 111.341 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -64.14 -37.31 86.99 Favored 'General case' 0 C--O 1.252 1.22 0 CA-C-O 123.03 1.395 . . . . 0.0 110.861 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.47 HD13 ' OE1' ' B' ' 41' ' ' GLN . 3.5 mt -69.83 -39.76 78.16 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.97 -48.79 78.78 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.641 2.638 . . . . 0.0 109.047 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.39 -41.74 66.22 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-N 113.716 -1.584 . . . . 0.0 111.886 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 7.3 mttp -93.42 -24.35 18.08 Favored 'General case' 0 C--O 1.28 2.664 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -123.65 -6.45 8.04 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 122.918 2.599 . . . . 0.0 113.835 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.06 5.55 90.05 Favored Glycine 0 CA--C 1.476 -2.403 0 N-CA-C 118.813 2.285 . . . . 0.0 118.813 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 46.8 mt -79.85 125.03 82.98 Favored Pre-proline 0 C--O 1.241 0.637 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.111 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 83.5 Cg_exo -57.15 137.04 80.05 Favored 'Trans proline' 0 C--O 1.256 1.415 0 C-N-CA 122.893 2.395 . . . . 0.0 110.905 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.4 Cg_exo -57.29 -32.1 92.76 Favored 'Trans proline' 0 C--O 1.262 1.706 0 O-C-N 123.028 1.015 . . . . 0.0 113.313 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.34 -15.53 63.59 Favored 'General case' 0 C--O 1.263 1.776 0 O-C-N 120.022 -1.674 . . . . 0.0 112.246 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.814 ' HB3' HD11 ' B' ' 71' ' ' LEU . 29.2 mm-40 -95.61 -10.57 29.12 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.487 -1.383 . . . . 0.0 112.181 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.47 ' OE1' HD13 ' B' ' 30' ' ' ILE . 0.5 OUTLIER -84.87 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 124.176 1.941 . . . . 0.0 115.75 -177.522 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -121.21 116.09 24.25 Favored 'General case' 0 C--O 1.297 3.603 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 172.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.61 ' C ' HD13 ' B' ' 44' ' ' ILE . 12.8 tp -103.51 130.24 50.85 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 119.451 1.023 . . . . 0.0 110.001 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.636 HD12 ' HG2' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -121.97 131.53 72.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 O-C-N 125.136 1.523 . . . . 0.0 112.069 -177.571 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.21 129.86 19.14 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 45.97 19.37 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 112.011 -2.359 . . . . 0.0 110.686 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.22 59.68 Favored Glycine 0 C--N 1.298 -1.556 0 C-N-CA 128.341 2.876 . . . . 0.0 117.287 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.84 143.87 39.1 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 115.377 -2.249 . . . . 0.0 110.953 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -87.09 130.28 34.57 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 104.12 -2.548 . . . . 0.0 104.12 173.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -79.57 138.44 37.47 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.08 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 1.273 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -101.86 140.06 36.65 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 125.206 1.567 . . . . 0.0 110.025 -177.738 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.833 ' O ' HG23 ' B' ' 23' ' ' ILE . 0.4 OUTLIER -48.35 -41.94 30.05 Favored 'General case' 0 C--O 1.263 1.78 0 N-CA-C 120.745 3.609 . . . . 0.0 120.745 -175.731 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.34 -8.48 85.11 Favored Glycine 0 CA--C 1.492 -1.373 0 N-CA-C 115.966 1.146 . . . . 0.0 115.966 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.8 ' O ' HG22 ' B' ' 23' ' ' ILE . 4.2 mmt85 -85.74 165.3 17.03 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 120.099 -1.824 . . . . 0.0 107.957 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 12.4 p -104.27 164.59 11.62 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 mt -61.2 -36.36 79.66 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.0 p -63.62 -29.82 71.01 Favored 'General case' 0 C--O 1.267 1.979 0 C-N-CA 117.334 -1.746 . . . . 0.0 112.187 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.7 -38.95 70.38 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 122.554 1.169 . . . . 0.0 110.785 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -91.16 4.52 52.01 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.857 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.96 45.26 18.42 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 121.679 2.036 . . . . 0.0 111.308 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -88.64 116.25 30.01 Favored 'Isoleucine or valine' 0 C--O 1.27 2.166 0 CA-C-O 115.115 -2.374 . . . . 0.0 106.277 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.37 169.56 8.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 126.066 2.104 . . . . 0.0 109.696 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -54.85 142.94 27.4 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 123.042 1.401 . . . . 0.0 109.387 -176.694 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.94 19.15 10.63 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.8 t -71.17 159.63 34.31 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 174.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -119.02 126.6 52.1 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 118.214 -0.898 . . . . 0.0 108.868 175.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.609 HD23 HD13 ' B' ' 3' ' ' ILE . 1.8 mm? -103.15 154.58 19.15 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 114.65 -2.595 . . . . 0.0 105.71 175.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -105.63 135.79 46.4 Favored 'General case' 0 C--N 1.283 -2.293 0 O-C-N 127.62 3.075 . . . . 0.0 105.744 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.463 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.0 tt -107.14 115.76 30.74 Favored 'General case' 0 C--O 1.284 2.875 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.514 176.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.681 ' HA ' HD21 ' B' ' 8' ' ' LEU . 53.2 t -108.09 139.9 28.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 103.43 -2.804 . . . . 0.0 103.43 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.12 -83.38 0.37 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.065 0.459 . . . . 0.0 109.824 178.409 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.631 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 13.7 tpt180 144.72 150.8 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.554 0 CA-C-O 113.504 -3.141 . . . . 0.0 105.39 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.442 HD23 ' OG ' ' A' ' 65' ' ' SER . 2.8 mm? -121.94 -51.56 2.01 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 125.566 1.791 . . . . 0.0 109.741 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 169.15 141.12 0.02 OUTLIER 'General case' 0 C--O 1.243 0.717 0 CA-C-N 113.841 -1.527 . . . . 0.0 108.748 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.97 169.94 29.26 Favored Glycine 0 C--O 1.245 0.782 0 CA-C-N 114.829 -1.078 . . . . 0.0 115.171 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.485 0 CA-C-O 116.566 -2.241 . . . . 0.0 108.249 179.054 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.512 -0.497 0 CA-C-O 121.951 0.882 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 t30 58.36 30.51 19.69 Favored 'General case' 0 C--N 1.289 -2.06 0 O-C-N 119.05 -2.281 . . . . 0.0 110.959 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -162.4 113.59 1.57 Allowed 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 126.783 2.033 . . . . 0.0 110.673 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.0 137.88 31.91 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.589 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.62 ' HB2' HG23 ' C' ' 49' ' ' ILE . 0.3 OUTLIER -70.25 -39.54 74.97 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.885 172.439 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.494 ' HB ' HG22 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.43 136.06 21.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 125.178 1.391 . . . . 0.0 107.496 -178.205 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.37 148.01 34.16 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.572 165.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.99 155.17 22.89 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.264 0.978 . . . . 0.0 111.181 173.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 127.76 33.55 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.375 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.565 ' HB3' HG12 ' C' ' 47' ' ' VAL . . . -166.16 147.66 6.75 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.102 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.9 164.79 25.23 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 108.267 -1.933 . . . . 0.0 108.267 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -179.2 3.79 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.3 mtt -137.18 161.01 37.34 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' SER . . . . . 0.592 ' O ' HG22 ' C' ' 39' ' ' THR . 7.5 m -136.6 156.5 48.48 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.827 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 116.12 28.73 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 105.939 -1.874 . . . . 0.0 105.939 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.37 115.85 29.39 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.05 8.62 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -113.9 14.48 18.54 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.412 -0.394 . . . . 0.0 110.028 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -111.97 122.46 47.82 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 t -76.09 120.03 25.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' THR . . . . . 0.592 HG22 ' O ' ' C' ' 32' ' ' SER . 1.2 t -124.11 119.41 26.51 Favored Pre-proline 0 C--O 1.246 0.872 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.141 -173.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.85 134.77 59.08 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 CA-C-O 122.302 0.876 . . . . 0.0 111.909 173.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -85.74 132.14 34.19 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.13 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.06 144.36 56.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -173.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 125.58 26.81 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.34 171.25 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.134 1.408 . . . . 0.0 115.37 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.692 ' HB2' ' OH ' ' C' ' 48' ' ' TYR . 17.8 mt -128.4 124.44 36.33 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 175.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 47' ' ' VAL . . . . . 0.565 HG12 ' HB3' ' C' ' 28' ' ' ALA . 0.2 OUTLIER -90.98 137.57 21.45 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 164.553 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 1.295 ' OH ' ' HB3' ' C' ' 62' ' ' LYS . 0.0 OUTLIER -151.98 157.74 42.15 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 122.049 0.928 . . . . 0.0 112.911 175.597 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.839 HG13 ' CE2' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -118.73 131.09 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 113.507 -1.679 . . . . 0.0 108.418 174.82 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.05 137.64 44.81 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.374 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.19 122.05 42.41 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 170.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 7.5 t -84.08 171.19 13.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.238 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -71.65 -10.34 59.62 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.593 -0.843 . . . . 0.0 113.201 -170.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.68 7.41 14.92 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.021 170.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 4.0 t 73.83 -1.25 3.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.507 1.523 . . . . 0.0 114.749 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.505 HG22 HD11 ' C' ' 49' ' ' ILE . 0.0 OUTLIER -102.18 129.12 54.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.147 -177.639 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 1.4 m-70 -117.61 125.25 50.44 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 59' ' ' PHE . . . . . 0.448 ' HE2' HG23 ' C' ' 47' ' ' VAL . 0.3 OUTLIER -98.79 118.98 36.77 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.213 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.73 156.9 41.68 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -171.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 61' ' ' TRP . . . . . 0.433 ' HZ2' ' CZ ' ' C' ' 107' ' ' PHE . 4.0 m-90 -130.46 128.29 40.96 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.466 -1.697 . . . . 0.0 108.718 169.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 62' ' ' LYS . . . . . 1.295 ' HB3' ' OH ' ' C' ' 48' ' ' TYR . 0.6 OUTLIER -120.75 134.35 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.742 -176.313 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -74.29 115.36 13.71 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 173.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -64.1 -32.29 73.8 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -176.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p -72.49 -46.23 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -91.43 -20.51 21.7 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.559 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.75 60.84 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.53 130.03 39.68 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.624 1.212 . . . . 0.0 113.18 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.19 109.11 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.47 -28.77 15.29 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.062 -171.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -122.07 135.53 54.83 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.861 0.839 . . . . 0.0 109.386 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.94 103.35 2.4 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.569 -2.382 . . . . 0.0 104.569 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 16.5 mt -118.09 123.27 45.22 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.275 -174.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 mp -75.89 124.28 33.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.377 1.084 . . . . 0.0 111.715 168.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.96 130.33 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.632 -174.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -101.27 158.98 30.75 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.463 1.102 . . . . 0.0 110.861 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.32 133.87 58.15 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.931 2.421 . . . . 0.0 111.289 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.6 6.7 5.85 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -175.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 79' ' ' ASP . . . . . 0.416 ' OD2' HG21 ' A' ' 44' ' ' ILE . 20.5 m-20 -70.36 -33.67 71.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.003 0.819 . . . . 0.0 109.543 176.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 18.7 p -154.9 168.26 27.53 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.442 -1.303 . . . . 0.0 113.605 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -133.48 139.26 46.57 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.501 -1.681 . . . . 0.0 107.065 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.538 ' CG ' HG11 ' C' ' 124' ' ' VAL . 17.8 t80 -106.72 124.21 49.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 156.45 42.44 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -67.78 142.83 56.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.357 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 85' ' ' VAL . . . . . 0.711 ' HB ' HG13 ' C' ' 93' ' ' VAL . 2.5 t -94.23 98.3 2.83 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 171.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -61.07 -31.87 91.23 Favored 'Trans proline' 0 C--N 1.329 -0.479 0 N-CA-C 117.837 2.207 . . . . 0.0 117.837 -167.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -91.09 8.64 34.54 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.236 -164.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 88' ' ' CYS . . . . . 0.526 ' HB2' HG11 ' C' ' 93' ' ' VAL . 12.7 t -85.12 119.66 72.69 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -56.97 -19.91 34.39 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.97 0.984 . . . . 0.0 114.39 -173.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 6.6 m -65.48 -34.61 78.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.419 0.554 . . . . 0.0 110.131 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.43 13.12 64.84 Favored Glycine 0 CA--C 1.506 -0.529 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.534 -172.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -120.99 16.98 11.72 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 93' ' ' VAL . . . . . 0.711 HG13 ' HB ' ' C' ' 85' ' ' VAL . 2.7 p -96.92 133.39 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 94' ' ' TYR . . . . . 0.508 ' CB ' ' CZ ' ' C' ' 82' ' ' PHE . 1.9 m-85 -125.06 151.76 45.22 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 125.572 1.795 . . . . 0.0 110.43 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -126.93 135.4 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.42 108.12 20.3 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 104.906 -2.257 . . . . 0.0 104.906 169.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -109.22 125.14 51.94 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -84.73 115.68 22.82 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.135 0.897 . . . . 0.0 109.214 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 99' ' ' LYS . . . . . 0.636 ' HG2' HD12 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.41 -25.17 68.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.412 -169.646 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.29 115.12 28.79 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 173.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.97 172.43 27.64 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -172.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.47 9.12 33.23 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 122.099 -0.648 . . . . 0.0 110.484 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -70.65 129.23 38.61 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.593 -165.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.07 141.73 46.15 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.948 175.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 25.4 mt -124.51 126.24 45.53 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -100.88 143.64 30.79 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.68 1.237 . . . . 0.0 110.316 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 107' ' ' PHE . . . . . 0.433 ' CZ ' ' HZ2' ' C' ' 61' ' ' TRP . 0.5 OUTLIER -137.07 156.67 48.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.26 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -131.36 126.66 35.83 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.394 175.029 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 109' ' ' MET . . . . . 0.449 ' HE1' HG23 ' C' ' 114' ' ' THR . 0.0 OUTLIER -62.75 137.79 58.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.272 -174.729 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -118.84 3.98 11.54 Favored 'General case' 0 N--CA 1.428 -1.534 0 CA-C-N 114.627 -1.169 . . . . 0.0 110.31 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.37 135.88 93.97 Favored Pre-proline 0 C--O 1.265 1.906 0 CA-C-O 123.164 1.459 . . . . 0.0 108.63 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.24 -41.35 43.05 Favored 'Trans proline' 0 C--O 1.246 0.915 0 C-N-CA 117.603 -1.132 . . . . 0.0 112.466 -174.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.12 146.96 24.22 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.513 173.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 114' ' ' THR . . . . . 0.47 HG22 ' O ' ' C' ' 114' ' ' THR . 84.9 m -83.49 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.158 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -53.61 -33.84 56.38 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -103.08 5.77 38.2 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 117' ' ' ASP . . . . . 0.404 ' HB3' ' SD ' ' C' ' 109' ' ' MET . 22.9 p-10 -56.91 -48.8 77.37 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 118.986 -1.086 . . . . 0.0 110.276 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -32.18 70.41 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.492 -173.422 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -44.04 79.9 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 175.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 120' ' ' HIS . . . . . 0.468 ' O ' HG12 ' C' ' 124' ' ' VAL . 3.8 t60 -55.49 -45.89 76.99 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.021 -1.05 . . . . 0.0 112.37 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 121' ' ' CYS . . . . . 0.806 ' O ' HG13 ' C' ' 124' ' ' VAL . 0.8 OUTLIER -60.64 -43.1 97.94 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.677 0.751 . . . . 0.0 110.326 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -61.83 -43.51 98.71 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.117 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -64.26 -42.29 96.55 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 124' ' ' VAL . . . . . 1.012 ' HA ' ' CE1' ' C' ' 127' ' ' TYR . 0.6 OUTLIER -52.28 -51.96 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.421 175.496 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 125' ' ' ASN . . . . . 0.49 ' HA ' HD23 ' C' ' 128' ' ' LEU . 0.3 OUTLIER -60.25 -39.62 87.4 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.775 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.27 -45.97 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.461 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 127' ' ' TYR . . . . . 1.012 ' CE1' ' HA ' ' C' ' 124' ' ' VAL . 0.4 OUTLIER -79.09 -24.42 43.47 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.35 -174.606 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.575 ' N ' ' CD2' ' C' ' 127' ' ' TYR . 0.4 OUTLIER -79.1 -36.05 41.33 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.745 -0.782 . . . . 0.0 112.282 174.506 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 129' ' ' ASN . . . . . 0.458 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 8.8 t-20 -110.74 -11.08 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -168.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -141.21 71.84 27.21 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 169.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -47.05 170.11 0.05 OUTLIER 'Trans proline' 0 C--N 1.315 -1.191 0 C-N-CA 121.58 1.52 . . . . 0.0 111.667 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo . . . . . 0 C--N 1.29 -2.543 0 C-N-CA 122.462 2.108 . . . . 0.0 111.624 -179.88 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 mmm . . . . . 0 CA--C 1.549 0.942 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -91.02 138.22 31.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 126.881 2.613 . . . . 0.0 108.957 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.9 pt -131.23 162.98 38.29 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.03 140.2 49.5 Favored 'General case' 0 N--CA 1.513 2.683 1 O-C-N 130.566 4.916 . . . . 0.0 108.771 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -118.07 114.24 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.576 175.837 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.23 127.53 41.36 Favored 'General case' 0 N--CA 1.505 2.285 1 O-C-N 129.297 4.123 . . . . 0.0 107.874 -178.073 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.6 170.78 8.35 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.861 -1.066 . . . . 0.0 109.345 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.31 -7.08 50.04 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 124.133 0.895 . . . . 0.0 112.663 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 t -101.54 15.0 30.27 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 115.627 -2.429 . . . . 0.0 112.017 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.81 80.02 Favored Glycine 0 C--N 1.297 -1.585 0 O-C-N 120.181 -1.575 . . . . 0.0 116.047 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.54 138.08 34.66 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 174.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.7 p -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.582 2.426 . . . . 0.0 105.885 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.566 HG22 ' CD1' ' A' ' 15' ' ' LEU . 2.4 mp -109.62 141.98 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 127.68 3.112 . . . . 0.0 108.851 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.6 t -101.43 139.66 36.79 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.177 -1.809 . . . . 0.0 108.207 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.566 ' CD1' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -126.36 154.16 43.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 115.452 -2.213 . . . . 0.0 108.322 -179.23 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.84 121.0 43.87 Favored 'General case' 0 N--CA 1.498 1.942 1 O-C-N 129.173 4.046 . . . . 0.0 103.664 173.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.96 170.56 16.03 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 O-C-N 127.511 3.007 . . . . 0.0 111.227 -177.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -119.96 144.55 37.74 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 112.318 -2.219 . . . . 0.0 106.382 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -55.04 -24.21 39.07 Favored 'Trans proline' 0 C--N 1.319 -0.987 0 C-N-CA 122.448 2.098 . . . . 0.0 112.007 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 p -80.19 -8.01 59.23 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.886 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -71.04 148.4 47.61 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 117.409 -1.717 . . . . 0.0 109.782 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.936 HG23 ' H ' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -83.79 160.49 21.21 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.795 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.8 mp -61.44 -37.01 76.77 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 O-C-N 127.139 2.774 . . . . 0.0 110.263 175.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.936 ' H ' HG23 ' A' ' 22' ' ' THR . 0.7 OUTLIER -57.66 -40.18 78.74 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.252 -0.905 . . . . 0.0 110.698 177.038 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.81 ' H ' HG22 ' A' ' 22' ' ' THR . 99.2 m-20 -68.31 -41.85 80.25 Favored 'General case' 0 C--O 1.263 1.804 0 O-C-N 121.959 -0.463 . . . . 0.0 110.982 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -46.46 88.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 O-C-N 124.379 1.049 . . . . 0.0 109.237 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HG2' ' CD ' ' A' ' 41' ' ' GLN . 17.7 mtpt -60.78 -37.93 83.57 Favored 'General case' 0 C--O 1.259 1.591 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.806 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.12 87.26 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 118.14 0.427 . . . . 0.0 111.065 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -64.19 -37.37 87.23 Favored 'General case' 0 C--O 1.255 1.363 0 O-C-N 120.484 -1.385 . . . . 0.0 110.703 176.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -70.03 -39.51 77.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -62.23 -48.73 78.69 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 125.492 2.567 . . . . 0.0 109.086 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.24 -41.76 65.74 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-N 113.534 -1.667 . . . . 0.0 111.98 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 7.0 tttt -93.57 -24.23 18.02 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -175.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -123.4 -6.41 8.19 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 123.08 2.673 . . . . 0.0 114.314 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.53 90.05 Favored Glycine 0 CA--C 1.476 -2.36 0 N-CA-C 119.004 2.362 . . . . 0.0 119.004 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.472 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 57.0 mt -79.78 124.71 83.3 Favored Pre-proline 0 C--O 1.244 0.799 0 C-N-CA 118.914 -1.114 . . . . 0.0 110.968 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 83.1 Cg_exo -56.97 136.94 79.62 Favored 'Trans proline' 0 C--O 1.257 1.462 0 C-N-CA 123.284 2.656 . . . . 0.0 110.778 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.8 Cg_exo -57.26 -31.89 92.08 Favored 'Trans proline' 0 C--O 1.262 1.705 0 O-C-N 122.963 0.981 . . . . 0.0 113.645 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.5 -15.3 63.49 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.839 -1.788 . . . . 0.0 112.219 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -96.06 -10.22 28.96 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.77 -1.206 . . . . 0.0 111.999 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.414 ' CD ' ' HG2' ' A' ' 27' ' ' LYS . 4.9 tm0? -84.84 129.57 34.79 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 124.379 2.038 . . . . 0.0 115.767 -177.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 116.06 24.33 Favored 'General case' 0 C--O 1.298 3.653 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 171.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 44' ' ' ILE . 13.2 mt -103.46 130.17 50.76 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 119.495 1.043 . . . . 0.0 109.95 -177.522 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -122.01 131.82 72.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 125.05 1.469 . . . . 0.0 111.987 -177.607 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -144.33 129.56 18.73 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 46.03 19.82 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 112.25 -2.25 . . . . 0.0 110.743 177.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' HA3' ' CE1' ' C' ' 98' ' ' PHE . . . 61.72 21.67 61.0 Favored Glycine 0 N--CA 1.431 -1.659 0 C-N-CA 128.598 2.999 . . . . 0.0 117.538 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -115.11 142.83 46.12 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.82 130.25 34.6 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 103.769 -2.678 . . . . 0.0 103.769 174.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.41 138.08 37.5 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 117.605 -1.188 . . . . 0.0 110.272 -176.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -101.78 140.08 36.55 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 125.103 1.502 . . . . 0.0 109.934 -177.678 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -47.96 -42.53 27.8 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.783 3.623 . . . . 0.0 120.783 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.79 85.57 Favored Glycine 0 CA--C 1.49 -1.508 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.733 ' O ' HD12 ' A' ' 23' ' ' ILE . 13.2 mtt-85 -85.54 165.44 17.09 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 119.811 -1.994 . . . . 0.0 107.952 176.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.4 p -104.52 164.88 11.43 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -35.93 79.56 Favored 'General case' 0 C--O 1.203 -1.358 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -64.19 -29.46 70.57 Favored 'General case' 0 C--O 1.267 1.996 0 C-N-CA 117.247 -1.781 . . . . 0.0 112.216 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.48 -39.64 70.66 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 122.476 1.131 . . . . 0.0 110.683 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -90.76 4.72 50.84 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 117.701 -1.142 . . . . 0.0 113.064 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t30 58.12 45.16 18.07 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 121.583 1.992 . . . . 0.0 111.184 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.9 mt -88.75 116.51 30.53 Favored 'Isoleucine or valine' 0 C--O 1.267 2.017 0 CA-C-O 115.152 -2.356 . . . . 0.0 106.202 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -103.52 169.76 8.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 126.093 2.121 . . . . 0.0 109.289 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -54.92 142.89 27.95 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.274 1.511 . . . . 0.0 109.076 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.09 19.22 10.49 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -71.19 159.58 34.4 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.562 HG21 ' HB ' ' B' ' 70' ' ' VAL . 1.3 t -119.2 126.8 52.4 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 118.12 -0.943 . . . . 0.0 108.834 175.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mt -103.21 154.54 19.22 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 114.82 -2.514 . . . . 0.0 105.62 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 62.5 t60 -105.58 135.61 46.68 Favored 'General case' 0 C--N 1.288 -2.106 0 O-C-N 127.323 2.889 . . . . 0.0 105.888 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.84 115.84 30.88 Favored 'General case' 0 C--O 1.284 2.896 0 CA-C-O 117.636 -1.174 . . . . 0.0 111.454 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.7 t -108.12 139.91 28.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 103.574 -2.75 . . . . 0.0 103.574 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mp -96.14 138.95 33.0 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.302 0.572 . . . . 0.0 109.816 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -68.77 141.85 55.1 Favored 'General case' 0 C--N 1.279 -2.491 0 CA-C-O 113.141 -3.314 . . . . 0.0 105.533 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 tp 59.64 61.79 1.88 Allowed 'General case' 0 C--N 1.291 -1.975 0 O-C-N 125.946 2.029 . . . . 0.0 109.568 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.83 80.45 5.25 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 113.705 -1.589 . . . . 0.0 108.844 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 126.07 -124.82 5.3 Favored Glycine 0 C--O 1.245 0.826 0 CA-C-N 114.541 -1.208 . . . . 0.0 115.21 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 N-CA-C 108.285 -1.926 . . . . 0.0 108.285 179.504 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.01 138.47 31.58 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 127.194 2.809 . . . . 0.0 108.83 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.702 HD11 HG22 ' B' ' 61' ' ' ILE . 0.0 OUTLIER -131.11 163.02 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 CA-C-O 115.788 -2.053 . . . . 0.0 105.907 173.288 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.518 ' N ' HG23 ' B' ' 3' ' ' ILE . 47.3 m-85 -115.97 140.19 49.5 Favored 'General case' 0 N--CA 1.513 2.715 1 O-C-N 130.568 4.918 . . . . 0.0 108.57 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -117.96 114.1 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.794 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 127.57 41.22 Favored 'General case' 0 N--CA 1.502 2.148 1 O-C-N 129.171 4.044 . . . . 0.0 108.245 -178.15 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.2 p -99.51 170.83 8.33 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 117.795 -1.098 . . . . 0.0 109.238 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.4 -7.05 50.07 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.085 0.865 . . . . 0.0 112.806 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.1 14.72 31.06 Favored 'General case' 0 N--CA 1.506 2.326 0 C-N-CA 115.74 -2.384 . . . . 0.0 112.028 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.48 16.7 80.05 Favored Glycine 0 C--N 1.295 -1.699 0 O-C-N 120.202 -1.561 . . . . 0.0 116.069 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.16 137.87 34.6 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -119.91 131.85 55.35 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 126.409 2.318 . . . . 0.0 106.199 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.1 mm -109.42 141.77 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 127.794 3.184 . . . . 0.0 109.104 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.4 m -101.15 139.86 36.25 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 117.01 -1.876 . . . . 0.0 108.377 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.51 154.06 44.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 115.6 -2.143 . . . . 0.0 108.352 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.77 121.16 44.33 Favored 'General case' 0 N--CA 1.495 1.821 1 O-C-N 129.16 4.038 . . . . 0.0 103.543 174.049 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.401 HG13 ' N ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -139.05 170.57 15.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 O-C-N 127.841 3.213 . . . . 0.0 111.246 -177.851 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.401 ' N ' HG13 ' B' ' 17' ' ' VAL . 3.5 mm-40 -120.01 144.62 37.99 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-N 112.158 -2.292 . . . . 0.0 106.328 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.95 -24.69 40.53 Favored 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 122.702 2.268 . . . . 0.0 111.523 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -8.34 59.19 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 121.154 -0.967 . . . . 0.0 110.99 -177.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.89 148.56 47.65 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 117.302 -1.759 . . . . 0.0 109.803 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.1 p -84.0 160.52 21.0 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 175.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.506 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 42.2 mm -61.41 -36.77 75.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 126.899 2.624 . . . . 0.0 110.385 175.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -42.93 77.76 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 120.405 -1.434 . . . . 0.0 110.966 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -44.64 90.86 Favored 'General case' 0 C--O 1.25 1.107 0 C-N-CA 124.305 1.042 . . . . 0.0 111.442 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.53 -46.33 89.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.997 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.549 ' O ' HG22 ' B' ' 30' ' ' ILE . 74.8 mttt -60.77 -37.96 83.65 Favored 'General case' 0 C--O 1.254 1.335 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.845 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.07 87.13 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 123.495 0.497 . . . . 0.0 111.379 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -64.03 -37.41 87.33 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-O 122.959 1.361 . . . . 0.0 110.81 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.598 HG23 ' CG1' ' B' ' 36' ' ' ILE . 1.8 tp -69.75 -39.73 78.31 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.9 -48.87 78.54 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-O 125.597 2.618 . . . . 0.0 109.038 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -41.84 66.38 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-N 113.687 -1.597 . . . . 0.0 111.821 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 10.7 tttt -93.37 -24.35 18.12 Favored 'General case' 0 C--O 1.28 2.683 0 N-CA-C 117.184 2.29 . . . . 0.0 117.184 -175.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -123.64 -6.33 8.06 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 122.959 2.618 . . . . 0.0 113.855 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.91 5.7 89.93 Favored Glycine 0 CA--C 1.476 -2.363 0 N-CA-C 118.708 2.243 . . . . 0.0 118.708 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.598 ' CG1' HG23 ' B' ' 30' ' ' ILE . 0.9 OUTLIER -79.88 125.07 82.84 Favored Pre-proline 0 C--O 1.241 0.641 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.075 179.593 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 86.6 Cg_exo -57.27 137.14 80.32 Favored 'Trans proline' 0 C--O 1.255 1.333 0 C-N-CA 122.829 2.352 . . . . 0.0 110.844 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -57.25 -32.31 93.27 Favored 'Trans proline' 0 C--O 1.261 1.65 0 O-C-N 123.046 1.024 . . . . 0.0 113.287 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -68.21 -15.58 63.63 Favored 'General case' 0 C--O 1.264 1.843 0 O-C-N 119.981 -1.699 . . . . 0.0 112.236 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.8 ' O ' HD23 ' B' ' 71' ' ' LEU . 3.1 pt20 -95.47 -10.54 29.52 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 120.557 -1.34 . . . . 0.0 112.324 178.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.491 ' OE1' HG21 ' B' ' 30' ' ' ILE . 15.6 tt0 -84.87 129.74 34.76 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.23 1.967 . . . . 0.0 115.791 -177.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 0.9 OUTLIER -121.24 115.99 24.04 Favored 'General case' 0 C--O 1.298 3.656 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.28 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 tp -103.51 130.27 50.86 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 119.563 1.074 . . . . 0.0 110.048 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.704 HD12 ' N ' ' B' ' 45' ' ' PHE . 0.1 OUTLIER -122.02 131.65 72.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 O-C-N 125.112 1.507 . . . . 0.0 111.987 -177.509 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.704 ' N ' HD12 ' B' ' 44' ' ' ILE . 93.0 t80 -144.23 129.69 18.96 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.25 45.99 20.0 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 112.053 -2.339 . . . . 0.0 110.618 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 20.23 59.47 Favored Glycine 0 C--N 1.298 -1.554 0 C-N-CA 128.229 2.823 . . . . 0.0 117.379 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -109.89 143.78 39.31 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 115.344 -2.265 . . . . 0.0 111.0 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -87.12 130.31 34.57 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 104.026 -2.583 . . . . 0.0 104.026 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.64 138.43 37.4 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.151 -175.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.97 140.06 36.77 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 125.209 1.568 . . . . 0.0 109.911 -177.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.506 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.1 p30 -48.37 -41.95 30.21 Favored 'General case' 0 C--O 1.263 1.812 0 N-CA-C 120.748 3.61 . . . . 0.0 120.748 -175.712 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.21 -8.58 85.18 Favored Glycine 0 N--CA 1.477 1.385 0 N-CA-C 115.976 1.151 . . . . 0.0 115.976 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -85.57 165.31 17.17 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 120.132 -1.805 . . . . 0.0 108.019 176.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 8.1 p -104.22 164.48 11.69 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 176.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -36.28 79.38 Favored 'General case' 0 C--O 1.201 -1.478 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.8 p -63.68 -29.81 70.99 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 117.301 -1.76 . . . . 0.0 112.226 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -39.01 70.21 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 122.568 1.175 . . . . 0.0 110.843 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -91.18 4.58 51.88 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.611 -1.185 . . . . 0.0 112.878 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.88 45.43 18.41 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-N 121.672 2.033 . . . . 0.0 111.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.702 HG22 HD11 ' B' ' 3' ' ' ILE . 6.9 mt -88.78 116.29 30.16 Favored 'Isoleucine or valine' 0 C--O 1.271 2.19 0 CA-C-O 115.019 -2.419 . . . . 0.0 106.273 175.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.31 169.56 8.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 126.128 2.143 . . . . 0.0 109.677 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 142.98 28.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.093 1.425 . . . . 0.0 109.272 -176.638 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 67.05 19.04 10.56 Favored 'General case' 0 C--O 1.257 1.461 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.443 ' HB2' HD11 ' B' ' 3' ' ' ILE . 3.5 m -71.1 159.52 34.55 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.1 m -118.98 126.59 52.1 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 118.236 -0.888 . . . . 0.0 108.809 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.1 154.62 19.1 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.666 -2.588 . . . . 0.0 105.794 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.513 ' O ' HG23 ' B' ' 44' ' ' ILE . 10.3 t60 -105.62 135.8 46.37 Favored 'General case' 0 C--N 1.283 -2.323 0 O-C-N 127.597 3.061 . . . . 0.0 105.643 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.425 ' C ' HD23 ' B' ' 69' ' ' LEU . 4.6 tt -107.1 115.68 30.6 Favored 'General case' 0 C--O 1.284 2.884 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.433 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.562 ' HB ' HG21 ' A' ' 66' ' ' THR . 0.8 OUTLIER -108.04 139.9 28.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 103.483 -2.784 . . . . 0.0 103.483 175.219 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 1.079 HD22 ' C ' ' B' ' 71' ' ' LEU . 0.1 OUTLIER -96.14 -83.41 0.37 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.053 0.454 . . . . 0.0 109.849 178.382 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.603 ' N ' HD22 ' B' ' 71' ' ' LEU . 0.0 OUTLIER 67.7 -136.56 0.11 Allowed 'General case' 0 C--N 1.278 -2.534 0 CA-C-O 113.418 -3.182 . . . . 0.0 105.395 177.327 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.5 -164.02 0.07 Allowed 'General case' 0 C--N 1.295 -1.804 0 O-C-N 125.75 1.907 . . . . 0.0 109.675 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.6 110.01 22.14 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 113.771 -1.559 . . . . 0.0 108.766 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.42 -117.76 0.89 Allowed Glycine 0 C--O 1.245 0.81 0 CA-C-N 114.807 -1.088 . . . . 0.0 115.16 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.572 0 CA-C-O 116.53 -2.261 . . . . 0.0 108.289 179.025 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 121.964 0.888 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.32 85.89 0.09 Allowed 'General case' 0 C--N 1.29 -2.005 0 O-C-N 119.056 -2.278 . . . . 0.0 111.007 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.16 90.49 0.82 Allowed 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.805 2.042 . . . . 0.0 110.711 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -89.0 137.87 31.92 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.583 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.18 -39.65 75.12 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.66 0.743 . . . . 0.0 111.8 172.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -144.36 136.13 21.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.154 1.382 . . . . 0.0 107.375 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.35 148.09 34.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 119.674 -0.81 . . . . 0.0 110.477 165.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -161.02 155.2 22.85 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.182 0.926 . . . . 0.0 111.238 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -72.3 127.88 33.91 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.181 -1.372 . . . . 0.0 112.309 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.23 147.65 6.66 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.111 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.85 25.2 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -109.17 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 20.0 mtt -137.16 161.0 37.34 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 3.0 m -136.6 156.57 48.39 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.804 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.32 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.324 -1.911 . . . . 0.0 108.324 -169.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.56 18.45 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.374 -0.413 . . . . 0.0 109.969 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.96 122.62 48.27 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.2 120.06 25.5 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -124.09 119.37 26.53 Favored Pre-proline 0 C--O 1.244 0.815 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.141 -173.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.9 134.75 58.79 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-O 122.348 0.895 . . . . 0.0 111.855 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.7 132.2 34.19 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 172.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.03 -11.18 59.58 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -172.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 144.33 56.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -173.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -68.08 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 171.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' GLY . . . . . 0.461 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.31 171.29 21.55 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.266 1.481 . . . . 0.0 115.311 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.46 124.4 36.09 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 175.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 77.3 t -90.97 137.54 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 164.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -151.88 157.8 42.35 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.973 0.892 . . . . 0.0 112.999 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 5.9 mt -118.83 131.03 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.559 -1.655 . . . . 0.0 108.351 174.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -133.97 137.66 44.95 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -100.2 122.08 42.46 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.04 171.15 13.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.296 177.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -71.66 -10.37 59.67 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -170.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.64 7.35 14.99 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.264 -0.174 . . . . 0.0 110.994 170.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 14.7 t 73.84 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.45 1.5 . . . . 0.0 114.713 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 73.6 mt -74.89 149.96 39.32 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.21 -0.996 . . . . 0.0 113.087 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.648 ' O ' HD12 ' C' ' 75' ' ' ILE . 3.6 mp -102.25 129.03 54.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.145 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 28.0 m80 -117.54 125.29 50.57 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -98.74 118.99 36.72 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -127.71 156.86 41.72 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 61' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.48 128.26 40.88 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 113.505 -1.679 . . . . 0.0 108.723 169.314 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.63 134.32 55.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.782 -176.272 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -74.26 115.32 13.63 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 173.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -64.06 -32.35 73.87 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 72.5 p -72.56 -46.15 55.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 48.4 t -91.45 -20.5 21.7 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.535 -176.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.67 2.6 60.97 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 119.685 -0.508 . . . . 0.0 113.671 -171.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.51 130.01 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.685 1.242 . . . . 0.0 113.173 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 69' ' ' VAL . . . . . 0.421 HG12 ' H ' ' C' ' 69' ' ' VAL . 0.7 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.444 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -94.54 -28.84 15.21 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.913 -171.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.0 135.57 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.903 0.859 . . . . 0.0 109.386 177.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.02 103.37 2.39 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.06 123.24 45.15 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.253 -174.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 3.4 mp -75.87 124.3 33.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.434 1.112 . . . . 0.0 111.661 168.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.648 HD12 ' O ' ' C' ' 57' ' ' ILE . 0.3 OUTLIER -123.04 130.28 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.372 0 CA-C-N 114.581 -1.19 . . . . 0.0 109.613 -174.354 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -101.2 158.91 30.89 Favored Pre-proline 0 C--O 1.241 0.652 0 O-C-N 124.45 1.093 . . . . 0.0 110.905 173.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.24 133.85 57.78 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.949 2.432 . . . . 0.0 111.327 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.81 5.89 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -70.37 -33.66 71.69 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.986 0.812 . . . . 0.0 109.56 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 168.12 27.98 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.441 -1.304 . . . . 0.0 113.601 -173.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.42 139.32 46.68 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.434 -1.712 . . . . 0.0 106.973 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -106.71 124.26 49.35 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.58 156.49 42.49 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.82 142.84 56.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.35 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 85' ' ' VAL . . . . . 0.629 ' HB ' HG23 ' C' ' 93' ' ' VAL . 4.4 t -94.32 98.33 2.89 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 171.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -60.92 -31.99 92.09 Favored 'Trans proline' 0 C--N 1.329 -0.451 0 N-CA-C 117.816 2.199 . . . . 0.0 117.816 -167.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -91.0 8.53 34.83 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.972 -1.491 . . . . 0.0 112.306 -164.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 88' ' ' CYS . . . . . 0.555 ' HB2' HG21 ' C' ' 93' ' ' VAL . 8.8 t -85.04 119.66 72.76 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.0 -19.85 34.29 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.403 -173.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -65.48 -34.64 78.76 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.501 0.591 . . . . 0.0 110.092 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.41 13.07 64.7 Favored Glycine 0 CA--C 1.505 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.569 -172.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -120.92 17.0 11.78 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 93' ' ' VAL . . . . . 0.629 HG23 ' HB ' ' C' ' 85' ' ' VAL . 3.1 m -97.08 133.48 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 94' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' C' ' 109' ' ' MET . 1.0 OUTLIER -125.05 151.76 45.2 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 125.551 1.782 . . . . 0.0 110.402 178.647 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.04 135.43 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 tp -95.48 108.07 20.28 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -109.19 125.26 52.03 Favored 'General case' 0 CA--C 1.485 -1.525 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -171.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.4 ' CE1' ' HA3' ' A' ' 47' ' ' GLY . 98.8 m-85 -84.79 115.65 22.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.122 0.888 . . . . 0.0 109.262 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -63.39 -25.12 68.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.447 -169.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.29 115.19 28.9 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 101' ' ' GLY . . . . . 0.598 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.93 172.38 27.69 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -172.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.45 9.15 33.02 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 122.04 -0.682 . . . . 0.0 110.562 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.76 129.21 38.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.876 -1.53 . . . . 0.0 110.593 -165.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.02 141.79 46.25 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.908 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.8 mt -124.54 126.21 45.46 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.91 143.62 30.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.306 -177.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -137.04 156.75 48.03 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.297 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -131.5 126.63 35.45 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.372 175.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 109' ' ' MET . . . . . 0.495 ' HB2' ' CE2' ' C' ' 94' ' ' TYR . 54.3 tpp -62.73 137.75 58.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.257 -174.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -118.86 4.05 11.52 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.256 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.33 135.92 93.92 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.099 1.428 . . . . 0.0 108.623 172.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.25 -41.43 42.37 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 146.93 24.22 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 121.115 0.484 . . . . 0.0 110.532 173.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 12.3 t -83.47 -9.26 59.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.187 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -103.18 5.73 37.91 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -174.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -56.85 -48.78 77.28 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.352 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -32.21 70.55 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.313 -0.955 . . . . 0.0 110.593 -173.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -67.35 -43.99 80.13 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -55.62 -45.87 77.45 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.985 -1.072 . . . . 0.0 112.322 173.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 36.3 t -60.58 -43.08 97.73 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.676 0.751 . . . . 0.0 110.333 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.9 -43.48 98.75 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.128 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -42.27 96.6 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 29.6 t -52.37 -51.87 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.408 175.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 125' ' ' ASN . . . . . 0.52 ' HA ' HD23 ' C' ' 128' ' ' LEU . 17.7 m-20 -60.31 -39.51 87.27 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -46.01 81.92 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.429 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -78.97 -24.49 43.8 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 119.502 -0.879 . . . . 0.0 112.412 -174.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.03 -36.13 41.56 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.78 -0.768 . . . . 0.0 112.245 174.519 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 129' ' ' ASN . . . . . 0.475 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 1.1 t30 -110.74 -11.04 14.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -168.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -141.26 71.88 26.96 Favored Pre-proline 0 N--CA 1.467 0.413 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 169.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -79.34 171.48 15.99 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.63 1.553 . . . . 0.0 111.577 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 C--N 1.292 -2.446 0 C-N-CA 122.51 2.14 . . . . 0.0 111.576 179.709 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.17 138.21 31.77 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 126.823 2.577 . . . . 0.0 108.882 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.4 HD11 HD12 ' A' ' 15' ' ' LEU . 2.4 pp -131.27 163.08 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.362 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.93 140.26 49.42 Favored 'General case' 0 N--CA 1.513 2.721 1 O-C-N 130.514 4.883 . . . . 0.0 108.774 179.672 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.8 t -118.09 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-O 113.397 -3.192 . . . . 0.0 105.634 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.23 127.53 41.35 Favored 'General case' 0 N--CA 1.505 2.306 1 O-C-N 129.304 4.128 . . . . 0.0 107.892 -178.081 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -99.66 170.79 8.33 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.896 -1.049 . . . . 0.0 109.324 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.31 -7.04 49.89 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 124.104 0.878 . . . . 0.0 112.697 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.51 14.95 30.4 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.686 -2.406 . . . . 0.0 112.04 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.8 80.03 Favored Glycine 0 C--N 1.298 -1.56 0 O-C-N 120.158 -1.588 . . . . 0.0 115.972 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.5 138.1 34.58 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 p -119.95 131.69 55.27 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 126.683 2.489 . . . . 0.0 105.916 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.59 142.01 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 127.639 3.087 . . . . 0.0 108.831 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 t -101.47 139.67 36.8 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 117.142 -1.823 . . . . 0.0 108.098 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD12 HD11 ' A' ' 3' ' ' ILE . 14.1 mt -126.38 154.08 44.06 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.327 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -111.83 121.0 43.87 Favored 'General case' 0 N--CA 1.5 2.059 1 O-C-N 129.287 4.117 . . . . 0.0 103.627 173.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.92 170.64 15.96 Favored 'Isoleucine or valine' 0 C--O 1.254 1.33 0 O-C-N 127.558 3.036 . . . . 0.0 111.22 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 144.49 37.75 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 112.338 -2.21 . . . . 0.0 106.335 174.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -54.83 -24.51 38.81 Favored 'Trans proline' 0 C--N 1.322 -0.848 0 C-N-CA 122.537 2.158 . . . . 0.0 111.987 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -79.91 -8.17 59.17 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.962 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.99 148.42 47.67 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 117.497 -1.681 . . . . 0.0 109.814 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.76 160.5 21.24 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 175.785 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 mm -61.47 -37.05 76.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 O-C-N 127.168 2.792 . . . . 0.0 110.235 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -57.57 -40.16 78.36 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.344 -0.847 . . . . 0.0 110.753 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.28 -41.98 80.22 Favored 'General case' 0 C--O 1.262 1.724 0 O-C-N 121.857 -0.527 . . . . 0.0 110.948 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.15 -46.46 88.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 O-C-N 124.453 1.096 . . . . 0.0 109.167 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -60.92 -37.81 83.6 Favored 'General case' 0 C--O 1.258 1.543 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.717 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.01 86.65 Favored 'General case' 0 C--O 1.276 2.485 0 CA-C-N 118.132 0.424 . . . . 0.0 111.099 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.11 -37.52 87.74 Favored 'General case' 0 C--O 1.254 1.333 0 CA-C-O 123.074 1.416 . . . . 0.0 110.712 176.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.94 -39.53 77.63 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -62.22 -48.71 78.79 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 125.574 2.607 . . . . 0.0 109.118 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -53.26 -41.72 65.78 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.378 -1.737 . . . . 0.0 111.949 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 3.4 tptm -93.59 -24.22 18.01 Favored 'General case' 0 C--O 1.281 2.755 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.48 -6.44 8.14 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.132 2.696 . . . . 0.0 114.173 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.66 89.99 Favored Glycine 0 CA--C 1.478 -2.254 0 N-CA-C 118.855 2.302 . . . . 0.0 118.855 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.474 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.1 mt -79.79 124.77 83.24 Favored Pre-proline 0 C--O 1.244 0.786 0 C-N-CA 118.841 -1.144 . . . . 0.0 110.972 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 84.0 Cg_exo -56.91 136.81 78.73 Favored 'Trans proline' 0 C--O 1.259 1.541 0 C-N-CA 123.305 2.67 . . . . 0.0 110.825 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.3 Cg_exo -57.1 -32.04 92.12 Favored 'Trans proline' 0 C--O 1.264 1.795 0 O-C-N 122.984 0.992 . . . . 0.0 113.568 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -68.49 -15.37 63.52 Favored 'General case' 0 C--O 1.261 1.669 0 O-C-N 119.87 -1.769 . . . . 0.0 112.169 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.95 -10.25 29.15 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.596 -1.315 . . . . 0.0 112.054 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -84.99 129.69 34.75 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 124.425 2.059 . . . . 0.0 115.669 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 116.04 24.28 Favored 'General case' 0 C--O 1.299 3.683 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 171.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.1 mt -103.59 130.22 50.98 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 119.597 1.09 . . . . 0.0 109.889 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.661 HD12 ' OD1' ' C' ' 79' ' ' ASP . 0.1 OUTLIER -122.03 131.86 72.22 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 O-C-N 125.066 1.479 . . . . 0.0 111.923 -177.558 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -144.41 129.57 18.65 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.21 46.06 19.88 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 112.257 -2.247 . . . . 0.0 110.735 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.71 21.65 60.95 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.564 2.983 . . . . 0.0 117.481 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -114.96 142.82 46.09 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -85.93 130.25 34.6 Favored 'General case' 0 C--O 1.257 1.479 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.44 137.99 37.44 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.206 -176.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.7 140.03 36.54 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.058 1.474 . . . . 0.0 110.02 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -47.9 -42.42 26.91 Favored 'General case' 0 C--O 1.264 1.831 0 N-CA-C 120.779 3.622 . . . . 0.0 120.779 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.78 -8.91 85.29 Favored Glycine 0 CA--C 1.49 -1.481 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -85.46 165.34 17.24 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 119.775 -2.015 . . . . 0.0 107.96 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 2.1 p -104.45 164.81 11.48 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mp -61.54 -36.04 79.46 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -29.4 70.52 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 117.253 -1.779 . . . . 0.0 112.231 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -39.57 70.68 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.46 1.124 . . . . 0.0 110.716 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -90.78 4.59 51.23 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 117.619 -1.182 . . . . 0.0 112.969 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.1 m120 58.1 45.23 18.02 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 121.559 1.981 . . . . 0.0 111.188 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -88.69 116.57 30.59 Favored 'Isoleucine or valine' 0 C--O 1.266 1.944 0 CA-C-O 115.115 -2.374 . . . . 0.0 106.192 175.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.524 ' CB ' HD12 ' B' ' 73' ' ' LEU . 3.2 mt-30 -103.63 169.71 8.37 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 126.151 2.157 . . . . 0.0 109.326 -176.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.86 142.95 27.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.262 1.506 . . . . 0.0 109.045 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 67.01 19.13 10.59 Favored 'General case' 0 C--O 1.255 1.379 0 N-CA-C 117.976 2.584 . . . . 0.0 117.976 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.15 159.5 34.57 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.1 126.79 52.47 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 118.19 -0.91 . . . . 0.0 108.814 175.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.18 154.56 19.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 114.685 -2.579 . . . . 0.0 105.583 175.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.412 ' O ' HG23 ' A' ' 44' ' ' ILE . 2.6 t-80 -105.63 135.66 46.62 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 127.474 2.984 . . . . 0.0 105.817 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tt -106.89 115.81 30.83 Favored 'General case' 0 C--O 1.286 2.978 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.478 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.0 t -107.99 139.96 28.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 174.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.2 138.93 33.09 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.342 0.591 . . . . 0.0 109.735 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -76.14 155.83 34.29 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-O 113.171 -3.299 . . . . 0.0 105.601 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.3 mt -102.98 144.59 31.07 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 125.87 1.981 . . . . 0.0 109.551 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 123.91 51.16 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 113.582 -1.645 . . . . 0.0 108.882 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.88 126.54 0.01 OUTLIER Glycine 0 C--O 1.246 0.854 0 CA-C-N 114.579 -1.191 . . . . 0.0 115.097 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.549 0 N-CA-C 108.286 -1.926 . . . . 0.0 108.286 179.522 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -90.9 138.43 31.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 127.154 2.784 . . . . 0.0 108.837 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.13 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-O 115.85 -2.024 . . . . 0.0 105.907 173.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 1.318 ' HD1' ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -115.99 140.17 49.53 Favored 'General case' 0 N--CA 1.515 2.788 1 O-C-N 130.521 4.888 . . . . 0.0 108.593 179.75 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.476 ' N ' ' CD1' ' B' ' 4' ' ' PHE . 38.4 t -117.96 114.05 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.755 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.875 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.06 127.62 41.26 Favored 'General case' 0 N--CA 1.502 2.161 1 O-C-N 129.193 4.058 . . . . 0.0 108.164 -178.135 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.54 170.73 8.39 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.708 -1.139 . . . . 0.0 109.372 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.29 -6.99 49.61 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 124.101 0.876 . . . . 0.0 112.937 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.19 14.8 30.83 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 115.637 -2.425 . . . . 0.0 111.988 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.6 80.17 Favored Glycine 0 C--N 1.296 -1.687 0 O-C-N 120.351 -1.468 . . . . 0.0 116.074 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.14 137.93 34.49 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 174.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.9 131.9 55.38 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 126.39 2.306 . . . . 0.0 106.206 176.118 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -109.53 141.82 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 127.771 3.17 . . . . 0.0 109.05 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.0 p -101.17 139.94 36.16 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 116.939 -1.904 . . . . 0.0 108.392 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.58 154.02 44.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 115.515 -2.183 . . . . 0.0 108.356 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.78 121.12 44.22 Favored 'General case' 0 N--CA 1.496 1.825 1 O-C-N 129.212 4.07 . . . . 0.0 103.536 174.064 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.07 170.55 15.94 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 O-C-N 127.769 3.168 . . . . 0.0 111.219 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -119.99 144.58 37.87 Favored Pre-proline 0 C--N 1.312 -1.049 0 CA-C-N 112.093 -2.321 . . . . 0.0 106.315 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -54.93 -24.67 40.24 Favored 'Trans proline' 0 C--N 1.318 -1.059 0 C-N-CA 122.563 2.175 . . . . 0.0 111.505 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.6 t -79.87 -8.24 59.18 Favored 'General case' 0 C--O 1.242 0.711 0 O-C-N 121.139 -0.975 . . . . 0.0 110.935 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.98 148.49 47.61 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.409 -1.716 . . . . 0.0 109.737 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.673 ' O ' HG13 ' B' ' 26' ' ' VAL . 2.6 p -83.92 160.5 21.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.664 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.4 mp -61.43 -36.73 75.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 126.853 2.596 . . . . 0.0 110.41 175.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.798 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.22 -42.89 77.96 Favored 'General case' 0 C--O 1.253 1.268 0 O-C-N 120.481 -1.387 . . . . 0.0 110.952 176.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -64.38 -44.64 90.73 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 124.237 1.015 . . . . 0.0 111.433 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.673 HG13 ' O ' ' B' ' 22' ' ' THR . 0.9 OUTLIER -58.51 -46.39 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.282 -1.326 . . . . 0.0 108.893 179.004 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 31.4 mtmt -60.66 -38.12 83.83 Favored 'General case' 0 C--O 1.255 1.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.816 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.21 -37.98 86.86 Favored 'General case' 0 C--O 1.278 2.568 0 O-C-N 123.471 0.482 . . . . 0.0 111.391 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -63.93 -37.54 87.78 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 120.45 -1.407 . . . . 0.0 110.816 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -69.69 -39.74 78.46 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.95 -48.85 78.52 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 125.572 2.605 . . . . 0.0 108.995 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -41.81 66.07 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 113.566 -1.652 . . . . 0.0 111.906 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.327 1.7 mttt -93.31 -24.46 18.12 Favored 'General case' 0 C--O 1.28 2.709 0 N-CA-C 117.213 2.301 . . . . 0.0 117.213 -175.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -123.68 -6.33 8.04 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 122.933 2.606 . . . . 0.0 113.767 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.67 89.99 Favored Glycine 0 CA--C 1.475 -2.409 0 N-CA-C 118.782 2.273 . . . . 0.0 118.782 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.476 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 62.7 mt -79.95 125.03 82.79 Favored Pre-proline 0 C--O 1.241 0.632 0 C-N-CA 118.759 -1.176 . . . . 0.0 111.022 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 84.6 Cg_exo -57.17 137.03 79.97 Favored 'Trans proline' 0 C--O 1.256 1.402 0 C-N-CA 122.93 2.42 . . . . 0.0 110.876 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.4 Cg_exo -57.22 -32.27 93.06 Favored 'Trans proline' 0 C--O 1.26 1.609 0 O-C-N 123.044 1.023 . . . . 0.0 113.342 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.24 -15.57 63.63 Favored 'General case' 0 C--O 1.264 1.855 0 O-C-N 120.089 -1.632 . . . . 0.0 112.281 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.826 ' HB3' HD11 ' B' ' 71' ' ' LEU . 16.2 mm100 -95.44 -10.62 29.38 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.505 -1.372 . . . . 0.0 112.252 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -84.91 129.61 34.78 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 124.287 1.994 . . . . 0.0 115.7 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -121.14 116.09 24.31 Favored 'General case' 0 C--O 1.298 3.634 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 172.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' B' ' 50' ' ' LEU . 0.0 OUTLIER -103.5 130.32 50.85 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.487 1.039 . . . . 0.0 109.975 -177.609 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.606 HD11 ' O ' ' C' ' 99' ' ' LYS . 1.6 mt -121.99 131.62 72.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 O-C-N 125.075 1.484 . . . . 0.0 112.07 -177.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -144.27 129.88 19.1 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.9 19.6 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 111.889 -2.414 . . . . 0.0 110.71 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.93 20.24 59.78 Favored Glycine 0 C--N 1.298 -1.533 0 C-N-CA 128.159 2.79 . . . . 0.0 117.274 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -109.93 143.76 39.4 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 115.329 -2.272 . . . . 0.0 110.953 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' B' ' 49' ' ' GLN . 3.3 pm0 -87.07 130.46 34.48 Favored 'General case' 0 C--N 1.28 -2.451 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 173.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.464 ' HB2' HD13 ' B' ' 43' ' ' LEU . 15.6 mt -79.7 138.4 37.33 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 117.631 -1.176 . . . . 0.0 110.055 -175.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.664 ' O ' HD13 ' B' ' 23' ' ' ILE . 1.3 tm-20 -101.9 139.93 36.87 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 125.211 1.569 . . . . 0.0 109.976 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.798 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.7 OUTLIER -48.19 -42.01 28.69 Favored 'General case' 0 C--O 1.262 1.711 0 N-CA-C 120.813 3.634 . . . . 0.0 120.813 -175.805 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.32 -8.42 85.23 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 115.989 1.155 . . . . 0.0 115.989 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.578 ' O ' HD12 ' B' ' 23' ' ' ILE . 3.6 mmt85 -85.64 165.38 17.05 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.13 -1.806 . . . . 0.0 107.998 176.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 10.2 p -104.42 164.49 11.7 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.061 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.439 HD23 HG21 ' B' ' 61' ' ' ILE . 0.4 OUTLIER -61.06 -36.35 79.37 Favored 'General case' 0 C--O 1.199 -1.554 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 177.247 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.5 p -63.61 -29.89 71.07 Favored 'General case' 0 C--O 1.266 1.95 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.243 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.64 -39.07 70.38 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 122.506 1.146 . . . . 0.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -91.04 4.4 52.2 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.553 -1.213 . . . . 0.0 112.887 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.02 45.4 18.0 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 121.695 2.043 . . . . 0.0 111.242 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.439 HG21 HD23 ' B' ' 56' ' ' LEU . 74.3 mt -88.79 116.22 30.05 Favored 'Isoleucine or valine' 0 C--O 1.27 2.15 0 CA-C-O 115.045 -2.407 . . . . 0.0 106.273 175.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -103.33 169.57 8.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 126.088 2.117 . . . . 0.0 109.703 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.81 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 123.236 1.493 . . . . 0.0 109.26 -176.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.1 18.96 10.5 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 117.857 2.54 . . . . 0.0 117.857 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -71.06 159.55 34.52 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.604 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 0.6 OUTLIER -119.03 126.62 52.13 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 118.263 -0.875 . . . . 0.0 108.833 175.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.478 ' O ' ' HE1' ' B' ' 4' ' ' PHE . 10.1 mp -103.17 154.63 19.11 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 114.654 -2.593 . . . . 0.0 105.732 175.052 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.432 ' NE2' HG22 ' B' ' 70' ' ' VAL . 2.2 t60 -105.67 135.76 46.5 Favored 'General case' 0 C--N 1.282 -2.347 0 O-C-N 127.608 3.068 . . . . 0.0 105.71 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.07 115.81 30.83 Favored 'General case' 0 C--O 1.283 2.828 0 CA-C-O 117.617 -1.183 . . . . 0.0 111.491 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.432 HG22 ' NE2' ' B' ' 68' ' ' HIS . 91.2 t -108.15 139.91 28.59 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 103.495 -2.779 . . . . 0.0 103.495 175.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.826 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.37 0.37 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.119 0.485 . . . . 0.0 109.836 178.499 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.631 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER 144.53 155.39 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.574 0 CA-C-O 113.324 -3.227 . . . . 0.0 105.555 -179.682 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.524 HD12 ' CB ' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -129.62 -37.84 1.55 Allowed 'General case' 0 C--N 1.293 -1.878 0 O-C-N 125.797 1.935 . . . . 0.0 109.71 179.473 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 172.65 179.31 0.08 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 113.82 -1.536 . . . . 0.0 108.673 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.31 121.32 0.93 Allowed Glycine 0 C--O 1.246 0.888 0 CA-C-N 114.759 -1.11 . . . . 0.0 115.161 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.461 0 CA-C-O 116.557 -2.246 . . . . 0.0 108.284 179.188 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 121.915 0.864 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -165.46 49.12 0.09 Allowed 'General case' 0 C--N 1.29 -2.002 0 O-C-N 119.06 -2.275 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -113.04 58.63 0.65 Allowed 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 126.828 2.051 . . . . 0.0 110.648 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -89.09 137.86 31.94 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.552 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' C' ' 127' ' ' TYR . 2.9 mm? -70.2 -39.56 75.1 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.614 0.721 . . . . 0.0 111.881 172.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.4 136.14 21.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.423 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.31 148.07 34.32 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.512 165.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -161.08 155.22 22.77 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.245 0.966 . . . . 0.0 111.213 173.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.2 127.8 33.68 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.33 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.742 ' HB3' ' CG1' ' C' ' 47' ' ' VAL . . . -166.2 147.69 6.71 Favored 'General case' 0 C--O 1.251 1.135 0 CA-C-O 122.067 0.936 . . . . 0.0 110.045 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.95 164.83 25.19 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.13 -179.17 3.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 14.0 mtt -137.17 161.03 37.28 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -136.59 156.53 48.44 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.146 -1.422 . . . . 0.0 108.765 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.75 116.14 28.75 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.28 -116.09 8.67 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -113.91 14.46 18.52 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.332 -0.434 . . . . 0.0 109.944 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p -111.96 122.49 47.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.468 ' O ' HG13 ' C' ' 38' ' ' VAL . 7.4 p -76.13 120.02 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 17.9 m -124.05 119.38 26.58 Favored Pre-proline 0 C--O 1.244 0.815 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.141 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.99 134.85 59.05 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 117.879 -0.948 . . . . 0.0 111.872 173.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -85.62 132.13 34.22 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 172.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.91 -11.29 59.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.339 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.0 144.37 56.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -173.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 125.57 26.77 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 171.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.17 21.6 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.338 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -128.34 124.35 36.23 Favored 'General case' 0 N--CA 1.422 -1.841 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' VAL . . . . . 0.742 ' CG1' ' HB3' ' C' ' 28' ' ' ALA . 0.6 OUTLIER -90.94 137.52 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 164.639 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -151.97 157.78 42.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 122.067 0.937 . . . . 0.0 112.951 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 82.2 mt -118.79 131.06 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 113.455 -1.702 . . . . 0.0 108.417 174.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -134.02 137.69 44.89 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -100.21 122.13 42.53 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 170.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -84.09 171.18 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.204 0.526 . . . . 0.0 111.276 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.56 -10.46 59.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.7 7.4 15.0 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.255 -0.178 . . . . 0.0 110.99 171.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 73.91 -1.32 3.1 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.419 1.488 . . . . 0.0 114.647 -177.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 35.0 mt -74.95 149.97 39.2 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 119.197 -1.001 . . . . 0.0 113.007 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 mp -102.18 129.09 54.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.147 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 19.1 m80 -117.61 125.26 50.44 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 59' ' ' PHE . . . . . 0.502 ' CE1' HG13 ' C' ' 124' ' ' VAL . 0.2 OUTLIER -98.72 119.0 36.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.194 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 60.3 m -127.74 156.83 41.81 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -171.232 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 61' ' ' TRP . . . . . 0.652 ' NE1' HG12 ' C' ' 47' ' ' VAL . 1.9 m-90 -130.36 128.25 41.05 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.778 169.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -120.66 134.42 55.28 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.749 -176.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.32 115.35 13.74 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -32.47 74.02 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 76.6 p -72.51 -46.11 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -175.011 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.41 -20.58 21.64 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.54 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.65 2.66 61.03 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.63 -0.539 . . . . 0.0 113.686 -171.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 13.7 t-20 -72.44 130.0 39.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.718 1.259 . . . . 0.0 113.195 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 69' ' ' VAL . . . . . 0.404 HG22 ' H ' ' C' ' 69' ' ' VAL . 1.0 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -94.54 -28.83 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.931 -171.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -121.99 135.55 54.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.838 0.828 . . . . 0.0 109.415 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -155.01 103.32 2.39 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 104.445 -2.428 . . . . 0.0 104.445 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.03 123.25 45.22 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.347 -174.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 6.7 mt -75.83 124.23 33.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.456 1.122 . . . . 0.0 111.684 168.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 46.0 mm -122.98 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.43 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.613 -174.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -101.24 158.95 30.81 Favored Pre-proline 0 C--O 1.242 0.671 0 O-C-N 124.338 1.024 . . . . 0.0 110.888 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.35 133.86 58.22 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.9 2.4 . . . . 0.0 111.353 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.6 6.79 5.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 116.639 2.089 . . . . 0.0 116.639 -175.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 79' ' ' ASP . . . . . 0.694 ' O ' ' HD2' ' C' ' 98' ' ' PHE . 3.4 m-20 -70.34 -33.67 71.76 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.032 0.833 . . . . 0.0 109.58 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 18.0 p -154.94 168.16 27.9 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 118.424 -1.31 . . . . 0.0 113.612 -173.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -133.37 139.34 46.75 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.494 -1.684 . . . . 0.0 106.998 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' C' ' 94' ' ' TYR . 4.9 t80 -106.8 124.25 49.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -148.54 156.47 42.48 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -67.83 142.81 56.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.392 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.15 98.3 2.79 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 171.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.06 -31.92 91.34 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 N-CA-C 117.717 2.16 . . . . 0.0 117.717 -167.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -91.05 8.51 35.08 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.968 -1.493 . . . . 0.0 112.217 -164.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.08 119.73 72.79 Favored Pre-proline 0 CA--C 1.514 -0.413 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -57.0 -19.86 34.36 Favored 'Trans proline' 0 C--N 1.347 0.484 0 O-C-N 122.929 0.963 . . . . 0.0 114.43 -173.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.51 -34.66 78.78 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.437 0.562 . . . . 0.0 110.069 177.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.52 13.04 64.94 Favored Glycine 0 CA--C 1.506 -0.491 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.546 -172.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -120.97 17.1 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.296 1.962 . . . . 0.0 116.296 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 73.3 t -96.98 133.39 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 94' ' ' TYR . . . . . 0.462 ' HB3' ' CE2' ' C' ' 82' ' ' PHE . 32.4 m-85 -125.02 151.74 45.19 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.479 1.737 . . . . 0.0 110.449 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -126.99 135.37 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.44 108.18 20.38 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 169.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -109.31 125.12 51.98 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -171.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.704 ' CD1' ' O ' ' C' ' 100' ' ' ALA . 9.1 t80 -84.71 115.64 22.8 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.141 0.9 . . . . 0.0 109.276 176.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 99' ' ' LYS . . . . . 0.606 ' O ' HD11 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.36 -25.17 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.371 -169.597 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.704 ' O ' ' CD1' ' C' ' 98' ' ' PHE . . . -111.32 115.15 28.83 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.91 172.33 27.7 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 -172.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.32 8.98 33.4 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.058 -0.672 . . . . 0.0 110.497 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.69 129.21 38.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.897 -1.521 . . . . 0.0 110.593 -165.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.02 141.81 46.25 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.919 175.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.53 126.16 45.38 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 171.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -100.87 143.63 30.79 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 124.701 1.251 . . . . 0.0 110.259 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 107' ' ' PHE . . . . . 0.435 ' CZ ' ' CH2' ' C' ' 61' ' ' TRP . 9.1 m-85 -137.0 156.71 48.09 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.314 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.54 126.56 35.2 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.387 175.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.66 137.74 58.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.224 -174.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.83 3.96 11.55 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.574 -1.193 . . . . 0.0 110.268 179.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.25 135.86 93.78 Favored Pre-proline 0 C--O 1.266 1.947 0 CA-C-O 123.163 1.458 . . . . 0.0 108.622 172.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.29 -41.37 42.48 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.61 -1.127 . . . . 0.0 112.419 -174.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -96.03 146.92 24.23 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.159 0.504 . . . . 0.0 110.501 173.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.5 m -83.42 -9.36 59.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.136 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.5 -33.83 55.82 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.483 0.713 . . . . 0.0 112.799 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -103.18 5.79 37.95 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -56.8 -48.87 76.96 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.309 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -32.3 70.76 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.582 -173.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -44.13 80.28 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.901 0.381 . . . . 0.0 110.881 175.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -55.64 -45.78 77.57 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.02 -1.05 . . . . 0.0 112.288 173.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 121' ' ' CYS . . . . . 0.448 ' HG ' ' HD2' ' C' ' 94' ' ' TYR . 3.9 t -60.67 -43.07 98.09 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.619 0.723 . . . . 0.0 110.291 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.89 -43.46 98.81 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.096 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -64.33 -42.27 96.37 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 124' ' ' VAL . . . . . 0.502 HG13 ' CE1' ' C' ' 59' ' ' PHE . 3.6 t -52.23 -51.9 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.452 175.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 125' ' ' ASN . . . . . 0.534 ' HA ' HD23 ' C' ' 128' ' ' LEU . 30.7 t30 -60.34 -39.54 87.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -65.25 -46.1 81.91 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.381 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 127' ' ' TYR . . . . . 0.499 ' CE2' HD12 ' C' ' 23' ' ' LEU . 80.2 m-85 -78.92 -24.56 43.97 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.537 -0.865 . . . . 0.0 112.386 -174.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.05 -36.07 41.58 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.769 -0.773 . . . . 0.0 112.284 174.559 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 129' ' ' ASN . . . . . 0.472 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 56.5 t30 -110.77 -11.04 14.43 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -168.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -141.2 71.79 27.3 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 169.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.89 171.8 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.578 1.518 . . . . 0.0 111.589 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo . . . . . 0 C--N 1.29 -2.514 0 C-N-CA 122.469 2.112 . . . . 0.0 111.641 179.749 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 mmm . . . . . 0 CA--C 1.549 0.939 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.19 138.15 31.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 126.834 2.584 . . . . 0.0 108.912 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pt -131.21 163.01 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 173.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.98 140.23 49.47 Favored 'General case' 0 N--CA 1.513 2.693 1 O-C-N 130.459 4.849 . . . . 0.0 108.748 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.09 114.22 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.583 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 127.51 41.27 Favored 'General case' 0 N--CA 1.506 2.345 1 O-C-N 129.322 4.139 . . . . 0.0 107.968 -178.141 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.3 p -99.56 170.83 8.32 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.352 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -6.92 49.42 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 124.132 0.895 . . . . 0.0 112.647 -177.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.48 14.88 30.6 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 115.773 -2.371 . . . . 0.0 111.995 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.8 80.09 Favored Glycine 0 C--N 1.297 -1.607 0 O-C-N 120.262 -1.524 . . . . 0.0 116.071 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.55 138.08 34.67 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 175.027 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.8 p -119.98 131.68 55.25 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 126.543 2.402 . . . . 0.0 105.986 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mm -109.56 141.93 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 127.626 3.079 . . . . 0.0 108.871 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 t -101.36 139.71 36.65 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.104 -1.839 . . . . 0.0 108.199 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.39 154.12 44.03 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 115.332 -2.271 . . . . 0.0 108.323 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -111.95 121.04 43.91 Favored 'General case' 0 N--CA 1.499 1.982 1 O-C-N 129.339 4.15 . . . . 0.0 103.672 173.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -139.0 170.65 15.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.38 0 O-C-N 127.493 2.996 . . . . 0.0 111.152 -177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -119.98 144.59 37.85 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 112.309 -2.223 . . . . 0.0 106.309 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -24.4 40.12 Favored 'Trans proline' 0 C--N 1.321 -0.897 0 C-N-CA 122.489 2.126 . . . . 0.0 111.942 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -8.11 59.15 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.924 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.04 148.5 47.5 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 117.402 -1.719 . . . . 0.0 109.802 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.74 160.49 21.26 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 175.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.227 HG21 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.48 -37.05 76.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 O-C-N 127.184 2.803 . . . . 0.0 110.291 175.796 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -40.08 78.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.288 -0.883 . . . . 0.0 110.824 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.35 -41.85 80.07 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 121.86 -0.525 . . . . 0.0 110.982 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.2 t -58.24 -46.43 88.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 124.462 1.101 . . . . 0.0 109.15 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -60.81 -38.08 84.16 Favored 'General case' 0 C--O 1.259 1.553 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.689 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.0 87.16 Favored 'General case' 0 C--O 1.277 2.53 0 CA-C-N 118.129 0.422 . . . . 0.0 111.183 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -37.59 87.99 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-O 123.088 1.423 . . . . 0.0 110.669 176.036 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.455 HG21 ' OE1' ' A' ' 41' ' ' GLN . 2.9 mt -70.03 -39.48 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -48.72 78.74 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 125.551 2.596 . . . . 0.0 109.081 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.18 -41.69 65.48 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 113.405 -1.725 . . . . 0.0 111.989 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.319 19.2 tttm -93.61 -24.31 17.97 Favored 'General case' 0 C--O 1.28 2.708 0 N-CA-C 117.188 2.292 . . . . 0.0 117.188 -175.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.34 -6.58 8.21 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 123.064 2.666 . . . . 0.0 114.194 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.65 89.97 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.882 2.313 . . . . 0.0 118.882 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.493 HG21 HE21 ' A' ' 41' ' ' GLN . 27.2 mm -79.73 124.81 83.33 Favored Pre-proline 0 C--O 1.244 0.793 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.978 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.2 Cg_exo -57.02 136.78 78.71 Favored 'Trans proline' 0 C--O 1.258 1.495 0 C-N-CA 123.369 2.713 . . . . 0.0 110.779 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.6 Cg_exo -57.08 -32.05 92.12 Favored 'Trans proline' 0 C--O 1.262 1.702 0 O-C-N 123.05 1.026 . . . . 0.0 113.568 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.47 -15.28 63.49 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.9 -1.75 . . . . 0.0 112.163 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.0 -10.3 28.92 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.615 -1.303 . . . . 0.0 112.001 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.493 HE21 HG21 ' A' ' 36' ' ' ILE . 2.1 mm-40 -84.85 129.47 34.81 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 124.398 2.047 . . . . 0.0 115.777 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.92 116.08 24.45 Favored 'General case' 0 C--O 1.299 3.659 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 171.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mp -103.48 130.24 50.8 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 119.506 1.048 . . . . 0.0 109.974 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.1 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 125.145 1.528 . . . . 0.0 111.868 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -144.39 129.47 18.58 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.19 19.69 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.324 -2.216 . . . . 0.0 110.675 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' HA2' ' OD2' ' C' ' 79' ' ' ASP . . . 61.59 21.82 60.88 Favored Glycine 0 N--CA 1.431 -1.662 0 C-N-CA 128.608 3.004 . . . . 0.0 117.497 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -115.14 142.81 46.14 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.9 130.36 34.57 Favored 'General case' 0 C--O 1.257 1.497 0 N-CA-C 103.73 -2.693 . . . . 0.0 103.73 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 tp -79.6 138.15 37.35 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.153 -175.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 1.227 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -101.81 140.15 36.49 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 125.042 1.464 . . . . 0.0 109.977 -177.753 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.827 ' O ' HG23 ' A' ' 23' ' ' ILE . 72.8 m-20 -47.98 -42.59 28.19 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 120.72 3.6 . . . . 0.0 120.72 -175.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.56 -8.85 85.57 Favored Glycine 0 CA--C 1.489 -1.561 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.801 ' O ' HG22 ' A' ' 23' ' ' ILE . 6.4 mmm-85 -85.36 165.44 17.25 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 119.792 -2.004 . . . . 0.0 108.0 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 0.6 OUTLIER -104.64 164.83 11.48 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 177.035 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.56 -36.1 79.67 Favored 'General case' 0 C--O 1.203 -1.349 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -29.43 70.55 Favored 'General case' 0 C--O 1.269 2.086 0 C-N-CA 117.313 -1.755 . . . . 0.0 112.157 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -39.7 70.7 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 122.448 1.118 . . . . 0.0 110.694 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -90.73 4.69 50.84 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.032 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.12 45.14 18.11 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 121.589 1.995 . . . . 0.0 111.182 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -88.68 116.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.266 1.954 0 CA-C-O 115.227 -2.321 . . . . 0.0 106.282 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.49 169.74 8.35 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 125.999 2.062 . . . . 0.0 109.37 -176.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.01 142.88 28.42 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 123.239 1.495 . . . . 0.0 109.096 -176.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.49 ' O ' HD22 ' B' ' 8' ' ' LEU . 1.8 mp0 67.14 19.16 10.44 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 117.916 2.561 . . . . 0.0 117.916 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -71.18 159.51 34.52 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.16 126.72 52.27 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-O 118.173 -0.918 . . . . 0.0 108.805 175.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mt -103.07 154.52 19.18 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 114.839 -2.505 . . . . 0.0 105.657 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -105.63 135.75 46.48 Favored 'General case' 0 C--N 1.288 -2.067 0 O-C-N 127.352 2.907 . . . . 0.0 105.826 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -106.96 115.78 30.78 Favored 'General case' 0 C--O 1.285 2.966 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.405 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.01 139.84 28.65 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.921 0 N-CA-C 103.612 -2.736 . . . . 0.0 103.612 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.0 138.9 32.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.291 0.567 . . . . 0.0 109.898 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 56.88 -151.21 0.42 Allowed 'General case' 0 C--N 1.278 -2.516 0 CA-C-O 113.176 -3.297 . . . . 0.0 105.531 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.05 -54.69 1.71 Allowed 'General case' 0 C--N 1.29 -1.979 0 O-C-N 125.892 1.995 . . . . 0.0 109.637 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.04 166.93 10.96 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 113.589 -1.641 . . . . 0.0 108.926 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.41 -175.99 53.61 Favored Glycine 0 C--O 1.245 0.803 0 CA-C-N 114.639 -1.164 . . . . 0.0 115.126 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.506 0 N-CA-C 108.267 -1.933 . . . . 0.0 108.267 179.412 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.92 138.48 31.57 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 127.066 2.729 . . . . 0.0 108.776 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.429 ' CD1' HG23 ' B' ' 61' ' ' ILE . 0.8 OUTLIER -131.16 163.02 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 CA-C-O 115.734 -2.079 . . . . 0.0 105.985 173.122 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -115.85 140.17 49.49 Favored 'General case' 0 N--CA 1.514 2.766 1 O-C-N 130.644 4.965 . . . . 0.0 108.615 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.99 114.05 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 113.446 -3.168 . . . . 0.0 105.786 175.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.05 127.61 41.24 Favored 'General case' 0 N--CA 1.503 2.192 1 O-C-N 129.184 4.053 . . . . 0.0 108.153 -178.134 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.664 HG22 ' O ' ' B' ' 11' ' ' LYS . 9.8 t -99.63 170.86 8.28 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.49 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -73.32 -7.08 50.06 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 124.122 0.889 . . . . 0.0 112.839 -178.243 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.576 ' H ' HG23 ' B' ' 7' ' ' THR . 0.6 OUTLIER -101.13 14.81 30.78 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 115.63 -2.428 . . . . 0.0 112.033 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.65 80.15 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.241 -1.537 . . . . 0.0 116.114 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.664 ' O ' HG22 ' B' ' 7' ' ' THR . 0.0 OUTLIER -96.16 137.82 34.67 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 174.849 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 70.0 p -119.93 131.87 55.34 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 126.452 2.345 . . . . 0.0 106.154 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.43 141.81 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 127.721 3.138 . . . . 0.0 109.121 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.3 m -101.23 139.83 36.36 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 117.014 -1.874 . . . . 0.0 108.371 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.52 154.1 44.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.512 -2.185 . . . . 0.0 108.351 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.82 121.16 44.29 Favored 'General case' 0 N--CA 1.496 1.846 1 O-C-N 129.259 4.1 . . . . 0.0 103.575 174.07 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.09 170.6 15.84 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 O-C-N 127.761 3.163 . . . . 0.0 111.171 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -120.07 144.68 38.22 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 112.139 -2.3 . . . . 0.0 106.298 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -54.87 -24.91 40.92 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 C-N-CA 122.696 2.264 . . . . 0.0 111.49 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.6 t -79.77 -8.17 59.09 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.892 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.06 148.53 47.44 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 117.247 -1.781 . . . . 0.0 109.782 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.678 ' O ' HG13 ' B' ' 26' ' ' VAL . 2.5 p -83.89 160.58 21.09 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.67 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.5 mp -61.4 -36.8 75.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 126.964 2.665 . . . . 0.0 110.423 175.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -42.85 77.87 Favored 'General case' 0 C--O 1.252 1.197 0 O-C-N 120.463 -1.398 . . . . 0.0 111.0 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -44.56 90.91 Favored 'General case' 0 C--O 1.251 1.14 0 C-N-CA 124.172 0.989 . . . . 0.0 111.455 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.678 HG13 ' O ' ' B' ' 22' ' ' THR . 0.9 OUTLIER -58.6 -46.28 90.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.877 1.36 . . . . 0.0 109.004 178.93 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 22.3 mttm -60.71 -37.91 83.29 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.934 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.37 -38.02 86.63 Favored 'General case' 0 C--O 1.279 2.655 0 O-C-N 123.367 0.417 . . . . 0.0 111.307 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -64.06 -37.38 87.21 Favored 'General case' 0 C--O 1.253 1.289 0 O-C-N 120.39 -1.444 . . . . 0.0 110.833 175.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -39.74 78.3 Favored 'Isoleucine or valine' 0 C--O 1.253 1.273 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.95 -48.91 78.3 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 125.538 2.589 . . . . 0.0 108.991 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.3 -41.83 66.03 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.882 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.8 OUTLIER -93.34 -24.33 18.15 Favored 'General case' 0 C--O 1.28 2.674 0 N-CA-C 117.272 2.323 . . . . 0.0 117.272 -175.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -123.64 -6.29 8.06 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 122.926 2.603 . . . . 0.0 113.851 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.81 5.67 89.9 Favored Glycine 0 CA--C 1.476 -2.379 0 N-CA-C 118.814 2.286 . . . . 0.0 118.814 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.5 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 13.3 mt -79.84 125.02 83.0 Favored Pre-proline 0 C--O 1.242 0.708 0 C-N-CA 118.698 -1.201 . . . . 0.0 111.102 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 95.4 Cg_exo -57.07 137.0 79.98 Favored 'Trans proline' 0 C--O 1.256 1.399 0 C-N-CA 122.921 2.414 . . . . 0.0 110.908 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.3 Cg_exo -57.31 -32.15 92.96 Favored 'Trans proline' 0 C--O 1.262 1.688 0 O-C-N 123.136 1.072 . . . . 0.0 113.32 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -68.29 -15.56 63.61 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 119.926 -1.734 . . . . 0.0 112.328 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.543 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.53 -10.57 29.29 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.538 -1.351 . . . . 0.0 112.207 178.414 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.401 ' NE2' HD13 ' B' ' 43' ' ' LEU . 44.2 tt0 -84.92 129.65 34.77 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 124.289 1.995 . . . . 0.0 115.711 -177.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -121.21 116.04 24.17 Favored 'General case' 0 C--O 1.298 3.655 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.401 HD13 ' NE2' ' B' ' 41' ' ' GLN . 6.2 tp -103.48 130.33 50.83 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.459 1.027 . . . . 0.0 110.054 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.599 HD11 ' O ' ' C' ' 99' ' ' LYS . 2.6 mt -122.07 131.61 72.78 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 125.194 1.559 . . . . 0.0 111.941 -177.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -144.3 129.77 18.97 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.29 45.84 20.18 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 112.001 -2.363 . . . . 0.0 110.712 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.92 20.22 59.73 Favored Glycine 0 C--N 1.299 -1.526 0 C-N-CA 128.256 2.836 . . . . 0.0 117.316 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -109.86 143.82 39.21 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 115.407 -2.235 . . . . 0.0 110.945 174.189 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.595 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.4 OUTLIER -87.22 130.34 34.6 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 103.995 -2.594 . . . . 0.0 103.995 173.338 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.63 138.48 37.42 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.086 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.67 ' O ' HD13 ' B' ' 23' ' ' ILE . 1.9 tp10 -101.93 140.03 36.77 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 125.203 1.564 . . . . 0.0 109.951 -177.586 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -48.31 -42.08 30.03 Favored 'General case' 0 C--O 1.263 1.798 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.27 -8.45 85.28 Favored Glycine 0 CA--C 1.493 -1.332 0 N-CA-C 116.0 1.16 . . . . 0.0 116.0 -177.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.554 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -85.63 165.29 17.14 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.126 -1.808 . . . . 0.0 108.034 176.337 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 11.9 t -104.35 164.49 11.7 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.04 -36.44 79.57 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' SER . . . . . 0.431 ' N ' HG23 ' B' ' 55' ' ' THR . 0.9 OUTLIER -63.62 -29.66 70.87 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.27 -1.772 . . . . 0.0 112.323 -179.497 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -39.15 70.61 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 122.553 1.168 . . . . 0.0 110.761 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -91.04 4.56 51.78 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 117.521 -1.228 . . . . 0.0 112.883 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.86 45.35 18.58 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 121.703 2.047 . . . . 0.0 111.364 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.471 HG22 ' O ' ' B' ' 61' ' ' ILE . 0.1 OUTLIER -88.76 116.21 30.01 Favored 'Isoleucine or valine' 0 C--O 1.272 2.243 0 CA-C-O 115.065 -2.397 . . . . 0.0 106.359 175.819 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.29 169.52 8.5 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 126.072 2.107 . . . . 0.0 109.765 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 142.99 26.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 123.109 1.433 . . . . 0.0 109.234 -176.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 66.92 19.09 10.65 Favored 'General case' 0 C--O 1.257 1.48 0 N-CA-C 117.867 2.543 . . . . 0.0 117.867 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.17 159.57 34.44 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.98 126.62 52.16 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 118.159 -0.924 . . . . 0.0 108.793 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.16 154.56 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.723 -2.56 . . . . 0.0 105.701 175.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -105.62 135.84 46.3 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 127.57 3.044 . . . . 0.0 105.646 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.1 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.85 0 CA-C-O 117.65 -1.166 . . . . 0.0 111.39 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.406 ' HA ' HD21 ' B' ' 8' ' ' LEU . 88.7 t -108.18 139.92 28.61 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 103.452 -2.795 . . . . 0.0 103.452 175.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.585 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.5 tt -96.06 -83.39 0.37 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.081 0.467 . . . . 0.0 109.943 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.517 ' CB ' ' HA2' ' C' ' 101' ' ' GLY . 0.0 OUTLIER 52.6 88.31 0.03 OUTLIER 'General case' 0 C--N 1.277 -2.55 0 CA-C-O 113.366 -3.207 . . . . 0.0 105.431 -178.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.15 152.21 29.35 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 125.762 1.914 . . . . 0.0 109.639 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? 56.59 -179.4 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 113.782 -1.554 . . . . 0.0 108.712 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.58 141.1 12.7 Favored Glycine 0 C--O 1.246 0.862 0 CA-C-N 114.834 -1.075 . . . . 0.0 115.09 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.527 0 CA-C-O 116.49 -2.283 . . . . 0.0 108.261 178.915 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 CA--C 1.511 -0.521 0 CA-C-O 121.843 0.83 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -80.81 158.94 25.25 Favored 'General case' 0 C--N 1.289 -2.043 0 O-C-N 119.162 -2.211 . . . . 0.0 110.951 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.66 132.09 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.879 2.072 . . . . 0.0 110.687 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -89.01 137.87 31.92 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.591 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' C' ' 127' ' ' TYR . 3.2 mt -70.2 -39.57 75.09 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.699 0.761 . . . . 0.0 111.881 172.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -144.34 136.04 21.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 125.283 1.433 . . . . 0.0 107.484 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.33 148.05 34.27 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 118.931 0.787 . . . . 0.0 110.638 165.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -161.01 155.15 22.8 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.271 0.982 . . . . 0.0 111.21 173.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -72.18 127.84 33.8 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.32 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.19 147.69 6.72 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.077 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.83 25.12 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 108.279 -1.928 . . . . 0.0 108.279 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.11 -179.19 3.78 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' MET . . . . . 0.731 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.2 mpt? -137.15 161.06 37.19 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 174.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 45.2 m -136.68 156.52 48.42 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.101 -1.439 . . . . 0.0 108.755 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.76 116.15 28.76 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.35 115.84 29.38 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.09 8.67 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.61 18.46 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.348 -0.426 . . . . 0.0 110.018 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.8 m -112.01 122.49 47.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -172.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 47.4 t -76.11 120.05 25.35 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.14 119.34 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.207 -173.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 40' ' ' PRO . . . . . 0.731 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 32.3 Cg_exo -59.85 134.8 59.3 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.892 -0.939 . . . . 0.0 111.873 173.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -85.71 132.18 34.19 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 172.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.19 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -172.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.1 144.45 56.09 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -173.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -68.1 125.52 26.63 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 171.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.39 171.28 21.58 Favored Glycine 0 C--N 1.318 -0.462 0 CA-C-O 123.223 1.457 . . . . 0.0 115.35 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -128.39 124.39 36.22 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 m -90.92 137.54 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 164.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -151.95 157.78 42.23 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.056 0.932 . . . . 0.0 112.944 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 10.3 mt -118.82 131.04 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.305 174.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -133.99 137.65 44.92 Favored 'General case' 0 CA--C 1.493 -1.23 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.24 122.16 42.61 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 170.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.5 p -84.11 171.08 13.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.267 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -71.53 -10.42 59.74 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.638 -0.825 . . . . 0.0 113.195 -170.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 3.6 m 73.87 -1.35 3.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.386 1.474 . . . . 0.0 114.717 -177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.94 149.82 39.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 119.21 -0.996 . . . . 0.0 113.112 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.415 HD13 ' HG3' ' C' ' 131' ' ' PRO . 0.0 OUTLIER -102.1 129.14 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.223 -177.667 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.65 125.33 50.55 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -176.478 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -98.79 119.05 36.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 26.6 m -127.72 156.78 41.86 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -171.193 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -130.43 128.26 40.95 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.615 -1.63 . . . . 0.0 108.734 169.27 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -120.66 134.3 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.027 -1.442 . . . . 0.0 109.745 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.22 115.33 13.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 173.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -64.0 -32.43 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 40.9 p -72.51 -46.14 56.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -175.068 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 10.4 t -91.43 -20.57 21.64 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.52 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 2.61 60.87 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 119.755 -0.469 . . . . 0.0 113.771 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.46 129.97 39.57 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.645 1.222 . . . . 0.0 113.129 178.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.18 109.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -94.54 -28.82 15.22 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.946 -171.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.99 135.53 54.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.837 0.827 . . . . 0.0 109.407 177.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.97 103.4 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.08 123.17 44.97 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.276 -174.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -75.73 124.29 33.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 122.336 1.065 . . . . 0.0 111.695 168.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.699 HD12 ' SG ' ' C' ' 80' ' ' CYS . 0.5 OUTLIER -123.03 130.36 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.43 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.613 -174.457 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.26 158.94 30.84 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.317 1.01 . . . . 0.0 110.885 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -54.33 133.92 58.41 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.864 2.376 . . . . 0.0 111.31 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.81 5.89 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 79' ' ' ASP . . . . . 0.498 ' C ' ' SG ' ' C' ' 80' ' ' CYS . 24.1 t0 -70.39 -33.57 71.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.986 0.812 . . . . 0.0 109.623 176.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.699 ' SG ' HD12 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -154.91 168.14 27.96 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 118.431 -1.308 . . . . 0.0 113.665 -173.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -133.36 139.36 46.77 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 113.478 -1.692 . . . . 0.0 107.008 -178.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -106.75 124.16 49.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -148.54 156.44 42.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -67.75 142.86 56.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.438 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 72.4 t -94.29 98.37 2.9 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -61.0 -31.96 91.83 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 N-CA-C 117.788 2.188 . . . . 0.0 117.788 -167.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.12 8.63 34.66 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.198 -164.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 4.6 t -85.06 119.62 72.7 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -56.96 -19.87 34.16 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.369 -173.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.7 m -65.57 -34.58 78.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.457 0.571 . . . . 0.0 110.06 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.48 12.97 64.73 Favored Glycine 0 CA--C 1.505 -0.568 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.516 -172.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -120.98 17.1 11.73 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 93.5 t -97.06 133.48 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -125.07 151.78 45.21 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.46 1.725 . . . . 0.0 110.437 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.02 135.39 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 32.1 tp -95.48 108.16 20.36 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -109.27 125.16 52.0 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -171.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' C' ' 98' ' ' PHE . 8.9 m-30 -84.79 115.6 22.81 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.058 0.849 . . . . 0.0 109.202 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 99' ' ' LYS . . . . . 0.599 ' O ' HD11 ' B' ' 44' ' ' ILE . 4.9 mtmt -63.36 -25.25 68.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.371 -169.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.19 115.2 28.98 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 101' ' ' GLY . . . . . 0.517 ' HA2' ' CB ' ' B' ' 72' ' ' ARG . . . 101.89 172.43 27.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -172.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 41.2 t -91.43 9.0 33.6 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.054 -0.674 . . . . 0.0 110.525 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.66 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.72 46.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.967 175.781 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -124.44 126.14 45.43 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 106' ' ' PHE . . . . . 0.42 ' CB ' ' SD ' ' C' ' 31' ' ' MET . 39.3 m-85 -100.8 143.66 30.69 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 124.771 1.294 . . . . 0.0 110.302 -177.517 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -137.14 156.65 48.1 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.263 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -131.42 126.53 35.35 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.408 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.6 137.75 58.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.312 -174.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.85 3.93 11.54 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.274 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 135.94 93.86 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.188 1.47 . . . . 0.0 108.623 172.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.27 -41.4 42.44 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.611 -1.126 . . . . 0.0 112.377 -174.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -96.08 146.93 24.23 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.159 0.504 . . . . 0.0 110.487 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 14.8 t -83.43 -9.3 59.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.154 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.57 -33.79 56.02 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 123.389 0.676 . . . . 0.0 112.79 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -103.27 5.92 37.78 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -174.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -56.94 -48.81 77.43 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.256 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -69.83 -32.24 70.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.56 -173.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -67.27 -44.06 80.3 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.904 0.383 . . . . 0.0 110.96 175.447 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 32.9 t60 -55.54 -45.85 77.18 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.02 -1.05 . . . . 0.0 112.326 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 7.1 t -60.73 -43.03 98.39 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.65 0.738 . . . . 0.0 110.232 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -43.53 98.65 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.115 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -64.21 -42.29 96.67 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 82.9 t -52.27 -51.85 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.478 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -60.41 -39.51 87.63 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -65.29 -46.05 81.96 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.446 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 127' ' ' TYR . . . . . 0.501 ' CD2' HD22 ' C' ' 23' ' ' LEU . 37.0 m-85 -79.0 -24.43 43.73 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 119.435 -0.906 . . . . 0.0 112.39 -174.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.448 ' HG ' HG21 ' C' ' 75' ' ' ILE . 2.0 mp -79.11 -36.03 41.31 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.731 -0.788 . . . . 0.0 112.274 174.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.76 -11.06 14.43 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -168.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -141.16 71.82 27.5 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 169.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 131' ' ' PRO . . . . . 0.415 ' HG3' HD13 ' C' ' 57' ' ' ILE . 80.5 Cg_exo -44.61 163.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.342 0 C-N-CA 121.639 1.559 . . . . 0.0 111.642 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 C--N 1.29 -2.513 0 C-N-CA 122.471 2.114 . . . . 0.0 111.534 -179.719 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mmm . . . . . 0 CA--C 1.549 0.928 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -91.07 138.18 31.8 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 126.908 2.63 . . . . 0.0 108.86 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 pt -131.25 163.06 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 1.017 ' CE1' ' HB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -116.0 140.23 49.47 Favored 'General case' 0 N--CA 1.512 2.67 1 O-C-N 130.497 4.873 . . . . 0.0 108.784 179.618 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.715 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -118.02 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.624 175.738 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.794 ' CB ' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -95.23 127.52 41.34 Favored 'General case' 0 N--CA 1.506 2.368 1 O-C-N 129.334 4.146 . . . . 0.0 107.951 -178.169 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 11' ' ' LYS . 10.7 t -99.56 170.78 8.36 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.34 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.9 mt -73.33 -7.07 50.03 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.129 0.893 . . . . 0.0 112.662 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.575 ' H ' HG23 ' A' ' 7' ' ' THR . 0.6 OUTLIER -101.51 15.12 29.89 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 115.715 -2.394 . . . . 0.0 112.006 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.67 80.23 Favored Glycine 0 C--N 1.297 -1.638 0 O-C-N 120.247 -1.533 . . . . 0.0 116.135 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.644 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.45 138.08 34.57 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 175.045 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 1.017 ' HB ' ' CE1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -119.9 131.6 55.28 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 126.696 2.497 . . . . 0.0 105.929 176.412 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.52 141.97 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 127.61 3.069 . . . . 0.0 108.898 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.44 139.71 36.73 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.163 -1.815 . . . . 0.0 108.189 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.47 154.05 44.25 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.291 -179.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -111.83 121.08 44.09 Favored 'General case' 0 N--CA 1.5 2.053 1 O-C-N 129.261 4.1 . . . . 0.0 103.638 173.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.97 170.61 15.96 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 O-C-N 127.663 3.102 . . . . 0.0 111.161 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -119.96 144.54 37.71 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.334 -2.212 . . . . 0.0 106.322 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -55.03 -24.31 39.41 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 122.513 2.142 . . . . 0.0 111.952 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.6 p -80.06 -8.07 59.19 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.868 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.05 148.37 47.61 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 117.471 -1.692 . . . . 0.0 109.774 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -83.74 160.56 21.24 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.753 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.6 mp -61.55 -37.06 76.97 Favored 'Isoleucine or valine' 0 C--O 1.245 0.855 0 O-C-N 127.161 2.788 . . . . 0.0 110.209 175.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -40.26 78.22 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.368 -0.833 . . . . 0.0 110.736 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.26 -41.95 80.34 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 121.948 -0.47 . . . . 0.0 110.958 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.14 -46.37 88.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -60.91 -37.92 83.95 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.671 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.03 87.05 Favored 'General case' 0 C--O 1.277 2.516 0 CA-C-N 118.176 0.443 . . . . 0.0 111.184 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -37.57 87.91 Favored 'General case' 0 C--O 1.255 1.345 0 CA-C-O 123.063 1.411 . . . . 0.0 110.685 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 mt -69.9 -39.54 77.73 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -48.68 78.94 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 125.553 2.597 . . . . 0.0 109.137 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -41.72 66.21 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 113.383 -1.735 . . . . 0.0 111.857 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -93.52 -24.33 18.02 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.253 2.316 . . . . 0.0 117.253 -175.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -123.37 -6.42 8.21 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.041 2.655 . . . . 0.0 114.259 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.59 90.01 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.908 2.323 . . . . 0.0 118.908 176.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.6 mt -79.82 124.79 83.19 Favored Pre-proline 0 C--O 1.244 0.808 0 C-N-CA 118.791 -1.163 . . . . 0.0 110.916 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 81.4 Cg_exo -57.02 136.9 79.44 Favored 'Trans proline' 0 C--O 1.258 1.495 0 C-N-CA 123.311 2.674 . . . . 0.0 110.737 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.4 Cg_exo -57.15 -31.99 92.11 Favored 'Trans proline' 0 C--O 1.261 1.648 0 O-C-N 123.0 1.0 . . . . 0.0 113.666 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.51 -15.31 63.5 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 119.904 -1.747 . . . . 0.0 112.228 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -95.96 -10.18 29.29 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.704 -1.248 . . . . 0.0 112.079 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -84.96 129.65 34.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 124.454 2.073 . . . . 0.0 115.673 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.03 116.03 24.27 Favored 'General case' 0 C--O 1.3 3.755 0 N-CA-C 104.976 -2.231 . . . . 0.0 104.976 171.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.51 130.14 50.83 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 119.61 1.096 . . . . 0.0 109.96 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -121.93 131.77 72.39 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 125.068 1.48 . . . . 0.0 112.011 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -144.31 129.58 18.77 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 46.12 19.74 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.202 -2.272 . . . . 0.0 110.785 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.57 21.73 60.74 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.56 2.981 . . . . 0.0 117.583 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -115.13 142.75 46.23 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -85.8 130.34 34.58 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 103.798 -2.667 . . . . 0.0 103.798 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.62 138.08 37.31 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.151 -175.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.521 ' O ' HD13 ' A' ' 23' ' ' ILE . 1.4 mp0 -101.66 140.1 36.41 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 125.139 1.524 . . . . 0.0 109.969 -177.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.97 -42.5 27.82 Favored 'General case' 0 C--O 1.264 1.855 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.8 85.48 Favored Glycine 0 CA--C 1.49 -1.492 0 N-CA-C 116.139 1.215 . . . . 0.0 116.139 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.749 ' O ' HD12 ' A' ' 23' ' ' ILE . 42.8 mtt180 -85.37 165.36 17.3 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 119.786 -2.008 . . . . 0.0 108.078 176.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.8 t -104.57 164.84 11.46 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.67 -35.91 79.33 Favored 'General case' 0 C--O 1.202 -1.395 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.425 ' N ' HG23 ' A' ' 55' ' ' THR . 0.2 OUTLIER -64.28 -29.39 70.48 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 117.228 -1.789 . . . . 0.0 112.19 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -55.5 -39.59 70.64 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 122.412 1.101 . . . . 0.0 110.681 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -90.8 4.71 50.94 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.943 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 58.1 45.22 18.04 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 121.703 2.047 . . . . 0.0 111.173 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mt -88.76 116.55 30.6 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.233 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -103.54 169.75 8.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 126.041 2.088 . . . . 0.0 109.366 -176.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.98 142.94 28.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 123.277 1.513 . . . . 0.0 109.097 -176.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.671 ' O ' HD22 ' B' ' 8' ' ' LEU . 4.3 mt-10 67.04 19.17 10.55 Favored 'General case' 0 C--O 1.255 1.383 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -71.12 159.53 34.53 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.4 t -119.23 126.72 52.2 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 118.191 -0.909 . . . . 0.0 108.8 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.09 154.61 19.1 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.707 -2.568 . . . . 0.0 105.715 175.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -105.69 135.62 46.77 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 127.404 2.94 . . . . 0.0 105.887 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tp -106.83 115.75 30.73 Favored 'General case' 0 C--O 1.285 2.953 0 CA-C-O 117.599 -1.191 . . . . 0.0 111.446 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.7 t -108.06 139.92 28.41 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mp -96.14 138.84 33.18 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.256 0.551 . . . . 0.0 109.807 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -55.25 129.5 38.61 Favored 'General case' 0 C--N 1.279 -2.487 0 CA-C-O 113.176 -3.297 . . . . 0.0 105.534 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.26 166.37 12.35 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 125.903 2.002 . . . . 0.0 109.623 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.41 159.7 14.82 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 113.63 -1.623 . . . . 0.0 108.885 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.99 -133.26 0.43 Allowed Glycine 0 C--O 1.247 0.929 0 CA-C-N 114.534 -1.212 . . . . 0.0 115.106 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.514 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 179.382 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mtp . . . . . 0 CA--C 1.548 0.904 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.04 138.46 31.58 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 127.137 2.773 . . . . 0.0 108.774 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.13 163.04 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 CA-C-O 115.833 -2.032 . . . . 0.0 105.828 173.278 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 1.255 ' HD2' ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -115.89 140.21 49.46 Favored 'General case' 0 N--CA 1.515 2.799 1 O-C-N 130.68 4.988 . . . . 0.0 108.65 179.696 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.49 ' N ' ' CD2' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -117.94 113.99 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-O 113.306 -3.235 . . . . 0.0 105.808 175.517 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.847 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.3 OUTLIER -95.08 127.58 41.25 Favored 'General case' 0 N--CA 1.501 2.103 1 O-C-N 129.27 4.106 . . . . 0.0 108.176 -178.073 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 27.9 p -99.5 170.81 8.35 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.281 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.671 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -73.37 -7.06 50.03 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 124.001 0.813 . . . . 0.0 112.858 -178.293 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.16 14.73 31.02 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 115.63 -2.428 . . . . 0.0 111.972 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.87 79.98 Favored Glycine 0 C--N 1.296 -1.683 0 O-C-N 120.16 -1.588 . . . . 0.0 116.123 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 137.95 34.63 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 174.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.1 p -120.01 132.02 55.33 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 126.425 2.328 . . . . 0.0 106.157 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.524 HD11 ' OE1' ' B' ' 34' ' ' GLU . 1.6 mp -109.56 141.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 127.723 3.139 . . . . 0.0 109.049 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.18 139.83 36.32 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 117.027 -1.869 . . . . 0.0 108.382 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -126.48 154.08 44.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 115.607 -2.14 . . . . 0.0 108.314 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -111.82 121.22 44.47 Favored 'General case' 0 N--CA 1.497 1.898 1 O-C-N 129.254 4.096 . . . . 0.0 103.527 174.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.05 170.61 15.87 Favored 'Isoleucine or valine' 0 C--O 1.252 1.23 0 O-C-N 127.867 3.23 . . . . 0.0 111.234 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -120.15 144.66 38.31 Favored Pre-proline 0 C--N 1.314 -0.954 0 CA-C-N 112.054 -2.339 . . . . 0.0 106.244 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -54.81 -24.83 40.06 Favored 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 122.758 2.305 . . . . 0.0 111.502 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.1 t -79.85 -8.27 59.19 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 121.164 -0.96 . . . . 0.0 110.904 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.98 148.54 47.55 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 117.307 -1.757 . . . . 0.0 109.762 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.676 ' O ' HG13 ' B' ' 26' ' ' VAL . 2.7 p -83.89 160.43 21.12 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 175.768 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.6 ' O ' HG22 ' B' ' 26' ' ' VAL . 22.2 mm -61.33 -36.86 75.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 126.929 2.643 . . . . 0.0 110.428 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.773 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.06 -42.94 77.42 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 120.393 -1.442 . . . . 0.0 111.008 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -44.58 90.76 Favored 'General case' 0 C--O 1.25 1.108 0 C-N-CA 124.322 1.049 . . . . 0.0 111.41 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.676 HG13 ' O ' ' B' ' 22' ' ' THR . 0.9 OUTLIER -58.54 -46.33 89.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.873 1.358 . . . . 0.0 108.971 178.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.407 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 9.9 mtmm -60.75 -37.98 83.64 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-O 118.778 -0.629 . . . . 0.0 110.786 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.88 86.39 Favored 'General case' 0 C--O 1.279 2.628 0 O-C-N 123.483 0.49 . . . . 0.0 111.448 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -63.98 -37.49 87.6 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 120.417 -1.427 . . . . 0.0 110.878 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -39.74 78.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.337 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -62.01 -48.74 78.97 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 125.448 2.547 . . . . 0.0 109.026 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.45 -41.78 66.46 Favored 'General case' 0 C--O 1.258 1.52 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.812 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 0.0 OUTLIER -93.47 -24.29 18.07 Favored 'General case' 0 C--O 1.281 2.727 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -175.793 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.524 ' OE1' HD11 ' B' ' 13' ' ' ILE . 0.7 OUTLIER -123.68 -6.33 8.03 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 122.996 2.635 . . . . 0.0 113.791 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.64 90.01 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.726 2.25 . . . . 0.0 118.726 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.476 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 1.6 mt -80.01 125.08 82.55 Favored Pre-proline 0 C--O 1.242 0.71 0 C-N-CA 118.619 -1.232 . . . . 0.0 111.052 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 84.4 Cg_exo -57.09 137.05 80.17 Favored 'Trans proline' 0 C--O 1.255 1.365 0 C-N-CA 122.937 2.425 . . . . 0.0 110.886 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -57.27 -32.16 92.9 Favored 'Trans proline' 0 C--O 1.261 1.644 0 O-C-N 123.086 1.045 . . . . 0.0 113.36 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -15.59 63.63 Favored 'General case' 0 C--O 1.264 1.827 0 O-C-N 119.997 -1.689 . . . . 0.0 112.281 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.805 ' HB3' HD11 ' B' ' 71' ' ' LEU . 31.6 mm-40 -95.5 -10.59 29.3 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 120.462 -1.399 . . . . 0.0 112.187 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -84.95 129.67 34.76 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.29 1.995 . . . . 0.0 115.686 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 3.3 mmt180 -121.12 116.19 24.52 Favored 'General case' 0 C--O 1.298 3.654 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 172.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -103.6 130.24 51.0 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 119.481 1.037 . . . . 0.0 109.95 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.504 HD13 ' CG1' ' B' ' 70' ' ' VAL . 1.8 mp -122.02 131.74 72.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 125.162 1.539 . . . . 0.0 111.963 -177.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.27 129.76 18.99 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 177.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.26 45.85 20.06 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 111.964 -2.38 . . . . 0.0 110.685 177.305 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 20.27 59.63 Favored Glycine 0 C--N 1.298 -1.553 0 C-N-CA 128.277 2.846 . . . . 0.0 117.316 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -109.88 143.83 39.23 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 115.317 -2.277 . . . . 0.0 110.986 174.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -87.19 130.3 34.6 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 103.996 -2.594 . . . . 0.0 103.996 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 61.5 mt -79.52 138.31 37.48 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 117.631 -1.176 . . . . 0.0 110.128 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.81 139.96 36.74 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 125.172 1.545 . . . . 0.0 109.976 -177.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.773 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER -48.24 -42.12 29.5 Favored 'General case' 0 C--O 1.263 1.778 0 N-CA-C 120.772 3.619 . . . . 0.0 120.772 -175.792 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.07 -8.68 85.28 Favored Glycine 0 N--CA 1.476 1.358 0 N-CA-C 115.927 1.131 . . . . 0.0 115.927 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -85.63 165.33 17.1 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 120.159 -1.789 . . . . 0.0 107.991 176.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.2 p -104.3 164.4 11.75 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.97 -36.37 79.22 Favored 'General case' 0 C--O 1.2 -1.506 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -29.73 70.91 Favored 'General case' 0 C--O 1.267 1.982 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.208 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.66 -39.03 70.36 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 122.533 1.159 . . . . 0.0 110.793 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -91.06 4.42 52.18 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 117.576 -1.202 . . . . 0.0 112.885 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.9 45.45 18.3 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 121.726 2.057 . . . . 0.0 111.284 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.83 116.14 29.93 Favored 'Isoleucine or valine' 0 C--O 1.269 2.109 0 CA-C-O 115.094 -2.384 . . . . 0.0 106.284 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.28 169.58 8.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 126.113 2.133 . . . . 0.0 109.752 -176.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.85 142.92 27.46 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 123.081 1.42 . . . . 0.0 109.273 -176.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 67.03 19.04 10.57 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.886 2.55 . . . . 0.0 117.886 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 96.3 p -71.09 159.54 34.53 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 174.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.643 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 0.6 OUTLIER -118.96 126.62 52.17 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 118.218 -0.896 . . . . 0.0 108.874 175.829 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 23.1 mt -103.11 154.54 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.674 -2.584 . . . . 0.0 105.751 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.283 -2.324 0 O-C-N 127.514 3.009 . . . . 0.0 105.707 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.05 115.85 30.91 Favored 'General case' 0 C--O 1.283 2.844 0 CA-C-O 117.671 -1.157 . . . . 0.0 111.417 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.513 ' HA ' HD21 ' B' ' 8' ' ' LEU . 1.1 m -108.17 139.9 28.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 103.375 -2.824 . . . . 0.0 103.375 175.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.04 -83.49 0.37 Allowed 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.098 0.475 . . . . 0.0 109.836 178.334 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? 59.25 93.1 0.04 OUTLIER 'General case' 0 C--N 1.278 -2.537 0 CA-C-O 113.406 -3.188 . . . . 0.0 105.456 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.54 -82.78 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.828 0 O-C-N 125.69 1.869 . . . . 0.0 109.718 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.6 156.43 47.47 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 113.848 -1.524 . . . . 0.0 108.734 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.38 -148.69 5.3 Favored Glycine 0 C--O 1.246 0.861 0 CA-C-N 114.815 -1.084 . . . . 0.0 115.199 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.553 0 CA-C-O 116.574 -2.236 . . . . 0.0 108.26 179.102 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 121.942 0.877 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 6.6 p-10 -81.67 116.65 21.49 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 119.048 -2.283 . . . . 0.0 111.04 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -138.69 49.54 1.88 Allowed 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 126.728 2.011 . . . . 0.0 110.624 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -88.99 137.85 31.94 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.56 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.471 HD22 ' CE1' ' C' ' 127' ' ' TYR . 7.6 mt -70.17 -39.64 75.19 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.682 0.753 . . . . 0.0 111.874 172.394 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -144.29 136.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.233 1.413 . . . . 0.0 107.464 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.38 148.15 34.31 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.524 165.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -161.08 155.15 22.66 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.261 0.976 . . . . 0.0 111.21 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -72.21 127.8 33.69 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.331 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.663 ' HB3' HG12 ' C' ' 47' ' ' VAL . . . -166.17 147.7 6.75 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.08 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.96 164.88 25.19 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 175.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -109.18 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' MET . . . . . 0.567 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.08 161.07 37.11 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 174.633 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 32' ' ' SER . . . . . 0.573 ' O ' HG22 ' C' ' 39' ' ' THR . 0.1 OUTLIER -136.7 156.58 48.33 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 118.085 -1.446 . . . . 0.0 108.72 177.347 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.534 HD22 HG12 ' C' ' 38' ' ' VAL . 0.0 OUTLIER -92.79 116.19 28.8 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.358 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 173.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 35' ' ' GLY . . . . . 0.44 ' O ' HD12 ' C' ' 33' ' ' LEU . . . 64.32 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.324 -1.911 . . . . 0.0 108.324 -169.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.56 18.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.352 -0.424 . . . . 0.0 109.98 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -112.02 122.53 48.02 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.534 HG12 HD22 ' C' ' 33' ' ' LEU . 27.5 m -76.16 120.04 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 174.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 39' ' ' THR . . . . . 0.573 HG22 ' O ' ' C' ' 32' ' ' SER . 0.8 OUTLIER -124.13 119.47 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -173.376 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.07 134.94 59.33 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 117.882 -0.945 . . . . 0.0 111.845 173.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.78 132.14 34.18 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.12 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -67.09 144.39 56.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -173.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -68.15 125.6 26.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.31 171.17 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.376 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mt -128.4 124.4 36.21 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 175.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' C' ' 28' ' ' ALA . 0.2 OUTLIER -90.96 137.56 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.147 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 164.551 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.406 ' CE2' ' SG ' ' C' ' 60' ' ' CYS . 6.0 p90 -151.91 157.83 42.35 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.993 0.901 . . . . 0.0 113.024 175.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 1.2 mt -118.85 131.06 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 113.559 -1.655 . . . . 0.0 108.309 174.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 50' ' ' GLN . . . . . 0.455 ' N ' ' ND1' ' C' ' 58' ' ' HIS . 0.3 OUTLIER -134.0 137.64 44.88 Favored 'General case' 0 CA--C 1.494 -1.193 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.422 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -100.23 122.05 42.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 170.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.03 171.14 13.21 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.259 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 p-10 -71.64 -10.42 59.74 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.661 -0.816 . . . . 0.0 113.156 -170.256 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.64 7.43 14.76 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.23 -0.188 . . . . 0.0 110.974 170.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t 73.78 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.493 1.517 . . . . 0.0 114.743 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 149.93 39.47 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 119.228 -0.989 . . . . 0.0 113.113 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 3.9 mm -102.21 129.06 54.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.145 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.993 ' O ' ' ND1' ' C' ' 58' ' ' HIS . 0.0 OUTLIER -117.6 125.39 50.7 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -176.501 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.87 118.98 36.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 171.216 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 60' ' ' CYS . . . . . 0.671 ' HB2' ' CD2' ' C' ' 58' ' ' HIS . 48.7 t -127.7 156.8 41.8 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -171.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 61' ' ' TRP . . . . . 0.411 ' HZ2' ' CZ ' ' C' ' 107' ' ' PHE . 5.0 m-90 -130.47 128.28 40.94 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.712 169.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -120.68 134.38 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.059 -1.428 . . . . 0.0 109.753 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.25 115.24 13.53 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 173.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.96 -32.38 73.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -176.245 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 65' ' ' THR . . . . . 0.473 HG23 ' N ' ' C' ' 66' ' ' SER . 5.7 t -72.53 -46.23 55.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 66' ' ' SER . . . . . 0.473 ' N ' HG23 ' C' ' 65' ' ' THR . 6.9 t -91.46 -20.46 21.73 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.516 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 2.72 60.53 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 69' ' ' VAL . . . . . 0.639 ' O ' HG23 ' C' ' 69' ' ' VAL . 32.1 m -84.19 109.11 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -94.37 -28.98 15.24 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.048 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -121.9 135.66 54.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.847 0.832 . . . . 0.0 109.433 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.06 103.29 2.38 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.08 123.24 45.14 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.242 -174.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 10.1 mm -75.8 124.26 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-O 122.396 1.093 . . . . 0.0 111.776 168.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.96 130.29 74.55 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.632 -174.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -101.23 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.519 1.137 . . . . 0.0 110.883 173.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -54.23 133.87 57.83 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.889 2.393 . . . . 0.0 111.387 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.41 6.95 5.96 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.66 2.096 . . . . 0.0 116.66 -175.67 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -70.44 -33.63 71.53 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.011 0.823 . . . . 0.0 109.558 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 168.19 27.75 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.441 -1.304 . . . . 0.0 113.601 -173.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -133.5 139.25 46.54 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.45 -1.705 . . . . 0.0 107.038 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.412 ' CE2' ' CB ' ' C' ' 94' ' ' TYR . 5.3 t80 -106.7 124.13 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -148.51 156.45 42.47 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -67.73 142.78 56.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.008 -0.997 . . . . 0.0 108.445 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 85' ' ' VAL . . . . . 0.845 ' O ' HG23 ' C' ' 85' ' ' VAL . 1.2 m -94.22 98.3 2.83 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 171.756 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.96 -31.96 91.97 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 N-CA-C 117.816 2.199 . . . . 0.0 117.816 -167.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -91.09 8.63 34.58 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.236 -164.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 88' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 30.0 p -85.1 119.7 72.75 Favored Pre-proline 0 CA--C 1.514 -0.413 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.0 -19.83 34.22 Favored 'Trans proline' 0 C--N 1.346 0.443 0 O-C-N 122.978 0.988 . . . . 0.0 114.441 -173.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.56 -34.65 78.74 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.368 0.531 . . . . 0.0 110.047 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.48 13.07 64.88 Favored Glycine 0 CA--C 1.506 -0.473 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.511 -172.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -121.01 17.11 11.7 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 93' ' ' VAL . . . . . 0.642 ' HB ' ' CG2' ' C' ' 85' ' ' VAL . 96.7 t -97.06 133.44 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 173.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 94' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' C' ' 109' ' ' MET . 2.4 m-85 -125.04 151.73 45.22 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.468 1.73 . . . . 0.0 110.418 178.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.99 135.37 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 96' ' ' LEU . . . . . 0.452 HD13 ' C ' ' C' ' 96' ' ' LEU . 3.1 tm? -95.44 108.07 20.26 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.13 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -109.21 125.2 51.98 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -171.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -84.75 115.72 22.86 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.155 0.909 . . . . 0.0 109.17 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -25.19 68.14 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.36 -169.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.21 115.19 28.95 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 173.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 101' ' ' GLY . . . . . 0.553 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.88 172.47 27.76 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -172.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.42 9.0 33.59 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.074 -0.662 . . . . 0.0 110.51 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -70.67 129.24 38.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.602 -165.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 141.74 46.19 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.936 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 20.9 mt -124.55 126.21 45.46 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 106' ' ' PHE . . . . . 0.44 ' N ' ' CD2' ' C' ' 106' ' ' PHE . 1.4 m-85 -100.88 143.65 30.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.319 -177.5 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 107' ' ' PHE . . . . . 0.411 ' CZ ' ' HZ2' ' C' ' 61' ' ' TRP . 1.4 m-85 -137.07 156.67 48.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.258 178.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.47 126.61 35.46 Favored 'General case' 0 N--CA 1.42 -1.937 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.466 174.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 109' ' ' MET . . . . . 0.481 ' HB2' ' CE1' ' C' ' 94' ' ' TYR . 0.1 OUTLIER -62.66 137.8 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.189 -174.631 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -118.87 3.97 11.53 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.268 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.28 135.92 93.85 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.129 1.442 . . . . 0.0 108.623 172.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.37 -41.29 42.44 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.58 -1.147 . . . . 0.0 112.366 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 147.0 24.19 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.498 173.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 75.4 p -83.54 -9.23 59.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.102 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -103.19 5.79 37.92 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 117' ' ' ASP . . . . . 0.402 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 15.8 p-10 -56.97 -48.71 77.73 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.27 -177.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.81 -32.32 70.71 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.522 -173.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.22 -44.06 80.47 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.926 0.393 . . . . 0.0 110.96 175.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -55.57 -45.87 77.26 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.998 -1.064 . . . . 0.0 112.325 173.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 8.6 m -60.6 -43.07 97.85 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.693 0.759 . . . . 0.0 110.297 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -61.9 -43.49 98.74 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.166 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -64.12 -42.47 96.83 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.28 -51.8 29.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.476 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.38 -39.55 87.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -65.27 -45.99 82.29 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.446 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 127' ' ' TYR . . . . . 0.471 ' CE1' HD22 ' C' ' 23' ' ' LEU . 27.5 m-85 -79.08 -24.37 43.54 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 119.4 -0.92 . . . . 0.0 112.351 -174.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' C' ' 129' ' ' ASN . 0.1 OUTLIER -79.17 -36.03 40.97 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.192 174.518 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 129' ' ' ASN . . . . . 0.536 ' HB2' HD23 ' C' ' 128' ' ' LEU . 3.2 t-20 -110.78 -11.1 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -168.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -141.21 71.78 27.27 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 169.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 131' ' ' PRO . . . . . 0.568 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 67.1 Cg_exo -51.69 -44.81 42.01 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.625 1.55 . . . . 0.0 111.545 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 132' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 71.6 Cg_exo . . . . . 0 C--N 1.29 -2.541 0 C-N-CA 122.425 2.083 . . . . 0.0 111.611 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.06 138.17 31.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 126.834 2.584 . . . . 0.0 108.902 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.829 HD11 HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -131.2 162.98 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.399 0 N-CA-C 105.601 -1.999 . . . . 0.0 105.601 173.461 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.93 140.3 49.38 Favored 'General case' 0 N--CA 1.512 2.663 1 O-C-N 130.585 4.928 . . . . 0.0 108.764 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.19 114.26 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 113.427 -3.177 . . . . 0.0 105.537 175.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -95.22 127.45 41.29 Favored 'General case' 0 N--CA 1.505 2.315 1 O-C-N 129.345 4.153 . . . . 0.0 107.962 -178.104 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.717 HG23 ' H ' ' A' ' 9' ' ' THR . 14.8 t -99.47 170.73 8.41 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.404 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -7.0 49.83 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.141 0.9 . . . . 0.0 112.694 -177.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.717 ' H ' HG23 ' A' ' 7' ' ' THR . 0.3 OUTLIER -101.51 15.06 30.09 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.638 -2.425 . . . . 0.0 111.996 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.89 80.12 Favored Glycine 0 C--N 1.297 -1.615 0 O-C-N 120.053 -1.655 . . . . 0.0 116.022 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.47 138.17 34.46 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 174.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.0 p -120.03 131.69 55.21 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.653 2.471 . . . . 0.0 105.849 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.53 141.94 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 127.621 3.075 . . . . 0.0 108.927 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.44 139.75 36.68 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 117.147 -1.821 . . . . 0.0 108.091 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.42 HD11 HD11 ' A' ' 30' ' ' ILE . 7.3 mt -126.45 154.06 44.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 115.363 -2.256 . . . . 0.0 108.34 -179.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -111.82 121.04 43.98 Favored 'General case' 0 N--CA 1.499 2.017 1 O-C-N 129.245 4.091 . . . . 0.0 103.611 173.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.829 HG12 HD11 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -138.97 170.55 16.03 Favored 'Isoleucine or valine' 0 C--O 1.256 1.406 0 O-C-N 127.55 3.031 . . . . 0.0 111.222 -177.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 17' ' ' VAL . 2.9 pm0 -119.89 144.51 37.53 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.43 -2.168 . . . . 0.0 106.364 174.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -55.1 -24.3 39.98 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.466 2.111 . . . . 0.0 111.875 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -80.01 -8.15 59.2 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.912 -177.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.612 ' OD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -71.01 148.5 47.56 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 117.358 -1.737 . . . . 0.0 109.831 -179.073 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.79 160.52 21.2 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.822 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.686 HD13 ' O ' ' A' ' 51' ' ' GLU . 1.5 mp -61.46 -37.06 76.89 Favored 'Isoleucine or valine' 0 C--O 1.247 0.93 0 O-C-N 127.17 2.794 . . . . 0.0 110.245 175.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.52 -40.25 78.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.221 -0.924 . . . . 0.0 110.765 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.35 -41.87 80.07 Favored 'General case' 0 C--O 1.263 1.792 0 O-C-N 121.945 -0.472 . . . . 0.0 110.984 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.612 HG23 ' OD2' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -58.23 -46.43 88.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 124.409 1.068 . . . . 0.0 109.112 178.165 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -60.88 -37.86 83.64 Favored 'General case' 0 C--O 1.26 1.619 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.687 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.0 86.82 Favored 'General case' 0 C--O 1.277 2.538 0 CA-C-N 118.184 0.447 . . . . 0.0 111.129 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -37.54 87.83 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 120.441 -1.412 . . . . 0.0 110.668 176.066 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.42 HD11 HD11 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -69.93 -39.58 77.71 Favored 'Isoleucine or valine' 0 C--O 1.251 1.157 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.17 -48.69 78.95 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 125.5 2.571 . . . . 0.0 109.176 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -53.22 -41.83 65.76 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.902 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 0.8 OUTLIER -93.58 -24.23 18.02 Favored 'General case' 0 C--O 1.28 2.688 0 N-CA-C 117.182 2.289 . . . . 0.0 117.182 -175.821 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -123.43 -6.38 8.17 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 123.094 2.679 . . . . 0.0 114.212 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.63 90.01 Favored Glycine 0 CA--C 1.479 -2.17 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.0 mt -79.84 124.71 83.19 Favored Pre-proline 0 C--O 1.243 0.746 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.932 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 84.1 Cg_exo -56.95 136.89 79.29 Favored 'Trans proline' 0 C--O 1.258 1.516 0 C-N-CA 123.239 2.626 . . . . 0.0 110.768 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -57.08 -32.0 91.94 Favored 'Trans proline' 0 C--O 1.262 1.676 0 O-C-N 122.97 0.984 . . . . 0.0 113.676 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -15.4 63.54 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.951 -1.718 . . . . 0.0 112.206 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.96 -10.29 29.03 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.63 -1.294 . . . . 0.0 112.054 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -84.8 129.58 34.8 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.339 2.019 . . . . 0.0 115.792 -177.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -121.07 116.16 24.5 Favored 'General case' 0 C--O 1.299 3.69 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 171.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.59 130.11 50.96 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 119.631 1.105 . . . . 0.0 109.953 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -122.02 131.88 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 O-C-N 125.088 1.493 . . . . 0.0 111.926 -177.57 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -144.38 129.49 18.62 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.14 19.67 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.195 -2.275 . . . . 0.0 110.766 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.6 21.74 60.82 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 128.672 3.034 . . . . 0.0 117.542 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.03 142.9 46.01 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.91 130.21 34.61 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 103.729 -2.693 . . . . 0.0 103.729 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mp -79.42 138.08 37.49 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 117.656 -1.164 . . . . 0.0 110.229 -176.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.686 ' O ' HD13 ' A' ' 23' ' ' ILE . 24.0 mp0 -101.82 140.04 36.64 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 125.123 1.514 . . . . 0.0 109.949 -177.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -47.96 -42.5 27.76 Favored 'General case' 0 C--O 1.264 1.825 0 N-CA-C 120.76 3.615 . . . . 0.0 120.76 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.86 85.47 Favored Glycine 0 CA--C 1.489 -1.58 0 N-CA-C 116.251 1.26 . . . . 0.0 116.251 -177.321 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.679 ' O ' HD12 ' A' ' 23' ' ' ILE . 15.0 mtt180 -85.44 165.35 17.25 Favored 'General case' 0 C--O 1.251 1.17 0 O-C-N 119.709 -2.053 . . . . 0.0 108.04 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.6 p -104.43 164.75 11.52 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.49 -36.1 79.51 Favored 'General case' 0 C--O 1.202 -1.428 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -29.46 70.58 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.335 -1.746 . . . . 0.0 112.193 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -39.55 70.88 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.322 1.058 . . . . 0.0 110.617 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -90.73 4.56 51.21 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 117.723 -1.132 . . . . 0.0 113.029 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 58.25 45.17 17.63 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.633 2.015 . . . . 0.0 111.121 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.78 116.46 30.44 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.123 -2.37 . . . . 0.0 106.216 175.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -103.48 169.71 8.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 126.075 2.11 . . . . 0.0 109.406 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -54.88 142.96 27.47 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.293 1.52 . . . . 0.0 109.079 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.647 ' O ' HD22 ' B' ' 8' ' ' LEU . 0.7 OUTLIER 66.85 19.31 10.67 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 118.006 2.595 . . . . 0.0 118.006 179.406 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -71.2 159.47 34.58 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 174.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.496 ' HB ' HD23 ' B' ' 8' ' ' LEU . 0.6 OUTLIER -119.14 126.81 52.49 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 118.182 -0.913 . . . . 0.0 108.847 175.742 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.4 mt -103.12 154.56 19.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.821 -2.514 . . . . 0.0 105.641 175.195 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.456 ' O ' HG23 ' A' ' 44' ' ' ILE . 14.5 t60 -105.71 135.57 46.9 Favored 'General case' 0 C--N 1.287 -2.126 0 O-C-N 127.325 2.891 . . . . 0.0 105.894 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.3 mt -106.8 115.88 30.97 Favored 'General case' 0 C--O 1.285 2.941 0 CA-C-O 117.682 -1.152 . . . . 0.0 111.451 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.09 140.01 28.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 175.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.8 mt -96.18 138.86 33.18 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.204 0.526 . . . . 0.0 109.838 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.77 120.83 9.11 Favored 'General case' 0 C--N 1.277 -2.547 0 CA-C-O 113.208 -3.282 . . . . 0.0 105.592 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -166.62 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.965 0 O-C-N 125.94 2.025 . . . . 0.0 109.575 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? 61.31 38.22 16.53 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 113.641 -1.618 . . . . 0.0 108.836 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.05 -141.86 5.07 Favored Glycine 0 C--O 1.245 0.844 0 CA-C-N 114.649 -1.16 . . . . 0.0 115.09 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.473 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 179.47 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -90.91 138.46 31.58 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 127.197 2.811 . . . . 0.0 108.767 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 pt -131.17 163.13 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-O 115.817 -2.04 . . . . 0.0 105.895 173.141 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.98 140.13 49.57 Favored 'General case' 0 N--CA 1.514 2.761 1 O-C-N 130.604 4.94 . . . . 0.0 108.602 179.794 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -117.88 114.0 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 113.345 -3.217 . . . . 0.0 105.869 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -95.11 127.59 41.28 Favored 'General case' 0 N--CA 1.503 2.18 1 O-C-N 129.177 4.048 . . . . 0.0 108.108 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 53.0 p -99.57 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.791 -1.1 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -73.37 -6.99 49.71 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 124.106 0.879 . . . . 0.0 112.798 -178.256 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.0 t -101.22 14.81 30.8 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 115.665 -2.414 . . . . 0.0 111.973 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.59 80.15 Favored Glycine 0 C--N 1.296 -1.65 0 O-C-N 120.277 -1.514 . . . . 0.0 116.093 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -96.27 137.93 34.62 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 p -119.88 131.89 55.38 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 126.355 2.285 . . . . 0.0 106.21 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.51 141.8 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 127.815 3.197 . . . . 0.0 109.109 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.19 139.91 36.22 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 116.982 -1.887 . . . . 0.0 108.405 177.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.58 154.11 44.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 115.524 -2.179 . . . . 0.0 108.305 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -111.91 121.13 44.17 Favored 'General case' 0 N--CA 1.496 1.846 1 O-C-N 129.232 4.082 . . . . 0.0 103.508 174.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 m -139.01 170.64 15.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 O-C-N 127.835 3.209 . . . . 0.0 111.246 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.1 144.63 38.15 Favored Pre-proline 0 C--N 1.312 -1.036 0 CA-C-N 112.019 -2.355 . . . . 0.0 106.273 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -54.91 -24.67 40.11 Favored 'Trans proline' 0 C--N 1.318 -1.053 0 C-N-CA 122.596 2.197 . . . . 0.0 111.591 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 33.7 t -79.89 -8.21 59.18 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 121.142 -0.973 . . . . 0.0 110.964 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -71.0 148.53 47.54 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 117.287 -1.765 . . . . 0.0 109.768 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -83.93 160.52 21.07 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.762 HD12 ' O ' ' B' ' 54' ' ' ARG . 1.7 mp -61.42 -36.8 75.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 126.957 2.661 . . . . 0.0 110.409 175.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.629 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 88.6 tt0 -56.14 -42.94 77.72 Favored 'General case' 0 C--O 1.253 1.288 0 O-C-N 120.389 -1.444 . . . . 0.0 110.937 176.313 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -64.39 -44.55 90.96 Favored 'General case' 0 C--O 1.251 1.137 0 C-N-CA 124.301 1.041 . . . . 0.0 111.394 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.67 -46.18 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 114.294 -1.321 . . . . 0.0 108.971 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 1.227 ' CG ' ' HB3' ' B' ' 38' ' ' PRO . 0.0 OUTLIER -60.75 -38.05 83.89 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.849 -179.688 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.735 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . . . -66.27 -37.97 86.73 Favored 'General case' 0 C--O 1.278 2.584 0 O-C-N 123.381 0.425 . . . . 0.0 111.336 176.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -63.93 -37.53 87.75 Favored 'General case' 0 C--O 1.253 1.28 0 O-C-N 120.431 -1.418 . . . . 0.0 110.821 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.485 HD13 ' OE1' ' B' ' 41' ' ' GLN . 4.5 mt -69.67 -39.78 78.57 Favored 'Isoleucine or valine' 0 C--O 1.254 1.333 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.94 -48.81 78.72 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.634 2.635 . . . . 0.0 109.081 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.43 -41.83 66.48 Favored 'General case' 0 C--O 1.257 1.477 0 CA-C-N 113.605 -1.634 . . . . 0.0 111.797 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.322 0.0 OUTLIER -93.41 -24.17 18.16 Favored 'General case' 0 C--O 1.282 2.763 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -175.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.77 -6.35 7.98 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 122.965 2.621 . . . . 0.0 113.803 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.58 90.05 Favored Glycine 0 CA--C 1.475 -2.407 0 N-CA-C 118.791 2.277 . . . . 0.0 118.791 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.475 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 1.1 mt -79.81 125.06 82.98 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 118.727 -1.189 . . . . 0.0 111.085 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 26.3 Cg_endo -57.21 136.97 79.6 Favored 'Trans proline' 0 C--O 1.256 1.417 0 C-N-CA 122.964 2.443 . . . . 0.0 110.901 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 1.227 ' HB3' ' CG ' ' B' ' 27' ' ' LYS . 26.8 Cg_endo -57.12 -32.23 92.73 Favored 'Trans proline' 0 C--O 1.262 1.684 0 O-C-N 123.022 1.011 . . . . 0.0 113.424 -179.188 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.24 -15.6 63.64 Favored 'General case' 0 C--O 1.264 1.831 0 O-C-N 119.989 -1.694 . . . . 0.0 112.179 -177.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.666 ' HB3' HD11 ' B' ' 71' ' ' LEU . 1.5 mp0 -95.58 -10.66 28.95 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.502 -1.374 . . . . 0.0 112.136 178.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.485 ' OE1' HD13 ' B' ' 30' ' ' ILE . 36.5 tt0 -84.8 129.61 34.79 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 124.249 1.976 . . . . 0.0 115.778 -177.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -121.15 116.12 24.36 Favored 'General case' 0 C--O 1.299 3.679 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 172.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 mt -103.61 130.31 51.02 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 119.501 1.046 . . . . 0.0 109.964 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.607 ' O ' HG13 ' B' ' 44' ' ' ILE . 0.4 OUTLIER -122.03 131.66 72.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 125.234 1.584 . . . . 0.0 112.06 -177.598 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.532 ' N ' HD12 ' B' ' 44' ' ' ILE . 60.8 t80 -144.23 129.88 19.13 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.02 19.37 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 112.002 -2.363 . . . . 0.0 110.676 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.22 59.65 Favored Glycine 0 C--N 1.299 -1.508 0 C-N-CA 128.342 2.877 . . . . 0.0 117.298 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -109.89 143.79 39.3 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 115.285 -2.293 . . . . 0.0 110.903 174.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -87.07 130.31 34.55 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 173.295 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.6 138.46 37.44 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 117.635 -1.174 . . . . 0.0 110.028 -175.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.552 ' O ' HD13 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -101.94 140.0 36.81 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.283 1.615 . . . . 0.0 109.947 -177.664 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -48.31 -41.95 29.66 Favored 'General case' 0 C--O 1.261 1.695 0 N-CA-C 120.81 3.633 . . . . 0.0 120.81 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.21 -8.59 85.17 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 115.98 1.152 . . . . 0.0 115.98 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.762 ' O ' HD12 ' B' ' 23' ' ' ILE . 25.6 mmt-85 -85.64 165.31 17.11 Favored 'General case' 0 C--O 1.251 1.159 0 O-C-N 120.04 -1.859 . . . . 0.0 107.975 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 65.7 p -104.32 164.5 11.69 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 177.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.1 -36.39 79.55 Favored 'General case' 0 C--O 1.201 -1.483 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -29.78 70.97 Favored 'General case' 0 C--O 1.267 2.007 0 C-N-CA 117.254 -1.778 . . . . 0.0 112.21 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -39.01 70.36 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.572 1.177 . . . . 0.0 110.795 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -91.13 4.51 52.01 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 117.61 -1.186 . . . . 0.0 112.888 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 57.83 45.45 18.53 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 121.664 2.029 . . . . 0.0 111.327 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.66 116.21 29.95 Favored 'Isoleucine or valine' 0 C--O 1.272 2.248 0 CA-C-O 114.939 -2.458 . . . . 0.0 106.367 175.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -103.3 169.52 8.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 126.173 2.171 . . . . 0.0 109.7 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.97 142.99 27.81 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 123.15 1.453 . . . . 0.0 109.264 -176.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.02 19.08 10.59 Favored 'General case' 0 C--O 1.255 1.345 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.11 159.57 34.45 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 174.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -119.08 126.59 52.02 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 118.308 -0.853 . . . . 0.0 108.752 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -103.17 154.59 19.15 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 114.67 -2.586 . . . . 0.0 105.731 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -105.61 135.86 46.24 Favored 'General case' 0 C--N 1.284 -2.245 0 O-C-N 127.59 3.056 . . . . 0.0 105.636 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -107.19 115.84 30.87 Favored 'General case' 0 C--O 1.283 2.849 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.452 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.2 t -108.14 139.96 28.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -96.2 -83.38 0.37 Allowed 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.087 0.47 . . . . 0.0 109.827 178.477 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 170.22 -67.27 0.01 OUTLIER 'General case' 0 C--N 1.277 -2.547 0 CA-C-O 113.356 -3.212 . . . . 0.0 105.378 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 mt 61.76 61.42 1.43 Allowed 'General case' 0 C--N 1.293 -1.871 0 O-C-N 125.737 1.898 . . . . 0.0 109.756 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.87 179.96 0.06 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 113.799 -1.546 . . . . 0.0 108.729 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 146.54 -168.98 27.84 Favored Glycine 0 C--O 1.244 0.771 0 CA-C-N 114.854 -1.066 . . . . 0.0 115.138 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.507 0 CA-C-O 116.579 -2.234 . . . . 0.0 108.306 179.061 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.512 -0.493 0 CA-C-O 121.873 0.844 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -159.47 134.98 8.42 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 119.141 -2.224 . . . . 0.0 110.973 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -142.74 147.35 35.44 Favored 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.821 2.048 . . . . 0.0 110.714 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.607 -178.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' C' ' 23' ' ' LEU . 4.2 mm? -70.14 -39.64 75.28 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.704 0.764 . . . . 0.0 111.89 172.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.34 136.07 21.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 125.283 1.433 . . . . 0.0 107.484 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.36 148.07 34.25 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.539 165.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.04 155.16 22.76 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.348 1.03 . . . . 0.0 111.149 173.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.2 127.9 34.01 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.178 -1.374 . . . . 0.0 112.335 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.25 147.69 6.65 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.093 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.84 25.13 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.18 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 4.1 mtt -137.13 161.01 37.31 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -136.61 156.54 48.41 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.105 -1.438 . . . . 0.0 108.826 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -92.74 116.14 28.75 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.37 115.87 29.43 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 172.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.23 -116.04 8.62 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.5 m -113.98 14.46 18.43 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.949 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' THR . . . . . 0.412 ' O ' HG23 ' C' ' 39' ' ' THR . 12.1 p -111.94 122.52 48.0 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.47 ' O ' HG13 ' C' ' 38' ' ' VAL . 7.5 p -76.05 119.96 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 174.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 39' ' ' THR . . . . . 0.412 HG23 ' O ' ' C' ' 37' ' ' THR . 1.2 p -124.14 119.33 26.48 Favored Pre-proline 0 C--O 1.245 0.856 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -173.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.93 134.89 59.51 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 117.9 -0.934 . . . . 0.0 111.872 173.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -85.74 132.19 34.18 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -11.19 59.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -172.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -67.03 144.42 56.17 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -68.18 125.6 26.9 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 171.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.26 21.57 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.249 1.472 . . . . 0.0 115.316 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -128.41 124.36 36.1 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 175.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -90.97 137.63 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 164.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -151.94 157.82 42.3 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.991 0.9 . . . . 0.0 113.055 175.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 55.1 mt -118.84 131.05 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 113.593 -1.64 . . . . 0.0 108.378 174.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -134.07 137.63 44.78 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -100.17 122.12 42.5 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 170.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 12.0 p -84.08 171.1 13.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.267 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -10.44 59.78 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.67 7.48 14.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.231 -0.187 . . . . 0.0 111.028 170.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t 73.87 -1.38 3.08 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.386 1.474 . . . . 0.0 114.766 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.87 149.87 39.39 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 122.231 1.015 . . . . 0.0 113.015 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mm -102.16 129.14 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.138 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 79.7 m-70 -117.64 125.21 50.33 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -176.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -98.7 119.01 36.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 171.202 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 60' ' ' CYS . . . . . 0.544 ' C ' ' CD1' ' C' ' 61' ' ' TRP . 62.3 m -127.78 156.82 41.87 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 61' ' ' TRP . . . . . 0.803 ' HZ2' HD13 ' C' ' 105' ' ' LEU . 0.4 OUTLIER -130.44 128.22 40.85 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.711 169.358 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -120.61 134.33 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.046 -1.434 . . . . 0.0 109.775 -176.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -74.34 115.34 13.75 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -64.06 -32.34 73.86 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -46.26 55.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -175.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -91.37 -20.47 21.8 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.555 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.53 2.67 60.58 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.743 -0.476 . . . . 0.0 113.748 -171.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -72.47 130.01 39.68 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.711 1.256 . . . . 0.0 113.172 178.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 t -84.15 109.05 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 173.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -94.42 -28.92 15.24 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.96 -171.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 71' ' ' ASP . . . . . 0.512 ' CB ' ' CE3' ' C' ' 61' ' ' TRP . 8.5 t70 -121.92 135.58 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.865 0.84 . . . . 0.0 109.441 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -154.98 103.26 2.39 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 104.492 -2.41 . . . . 0.0 104.492 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.0 123.29 45.35 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.257 -174.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 pt -75.83 124.23 33.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.355 1.074 . . . . 0.0 111.75 168.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 1.3 mt -123.03 130.31 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.358 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.633 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.21 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.45 1.093 . . . . 0.0 110.902 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -54.24 133.85 57.78 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.889 2.393 . . . . 0.0 111.346 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.56 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.613 2.079 . . . . 0.0 116.613 -175.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.42 -33.6 71.53 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.038 0.835 . . . . 0.0 109.602 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 23.6 p -154.9 168.12 28.01 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.427 -1.309 . . . . 0.0 113.601 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 81' ' ' GLU . . . . . 0.417 ' HB2' ' HZ2' ' C' ' 97' ' ' LYS . 15.6 mm-40 -133.38 139.37 46.75 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.434 -1.712 . . . . 0.0 107.037 -178.22 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.423 ' CE2' ' HD1' ' C' ' 107' ' ' PHE . 6.0 t80 -106.75 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.54 156.54 42.57 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -67.78 142.86 56.09 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.379 177.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 64.6 t -94.33 98.3 2.87 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -60.94 -31.94 91.98 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 N-CA-C 117.807 2.195 . . . . 0.0 117.807 -167.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.15 8.6 34.84 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 117.956 -1.498 . . . . 0.0 112.19 -164.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 88' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 25.1 p -85.06 119.66 72.75 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.475 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.97 -19.86 34.2 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.97 0.984 . . . . 0.0 114.39 -173.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -65.53 -34.67 78.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.457 0.571 . . . . 0.0 110.035 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.52 13.0 64.86 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.535 -172.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -121.02 17.13 11.69 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 93.2 t -97.08 133.48 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -125.05 151.79 45.16 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.446 1.716 . . . . 0.0 110.458 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.04 135.25 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 9.1 tt -95.35 108.14 20.3 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 169.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 97' ' ' LYS . . . . . 0.417 ' HZ2' ' HB2' ' C' ' 81' ' ' GLU . 2.4 mtmp? -109.28 125.2 52.04 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -171.139 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -84.84 115.66 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.127 0.892 . . . . 0.0 109.17 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 99' ' ' LYS . . . . . 0.402 ' CB ' ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -63.47 -25.12 68.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.398 -169.597 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.23 115.17 28.89 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 173.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 32.2 t -91.39 9.09 33.13 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.007 -0.702 . . . . 0.0 110.575 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.71 129.25 38.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 117.942 -1.503 . . . . 0.0 110.501 -165.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 141.75 46.13 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.965 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 105' ' ' LEU . . . . . 0.803 HD13 ' HZ2' ' C' ' 61' ' ' TRP . 0.8 OUTLIER -124.56 126.11 45.28 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 105.898 -1.889 . . . . 0.0 105.898 171.922 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 106' ' ' PHE . . . . . 0.46 ' O ' ' CD2' ' C' ' 107' ' ' PHE . 1.7 m-85 -100.84 143.66 30.73 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.748 1.28 . . . . 0.0 110.316 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 107' ' ' PHE . . . . . 0.476 ' CE2' ' CZ2' ' C' ' 61' ' ' TRP . 4.0 m-85 -137.08 156.72 48.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.307 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.5 126.57 35.29 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.408 175.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 27.3 mmt -62.68 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.258 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -118.9 4.03 11.5 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.243 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.27 135.87 93.81 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.147 1.451 . . . . 0.0 108.664 172.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.29 -41.35 42.64 Favored 'Trans proline' 0 C--O 1.245 0.842 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.422 -174.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 146.94 24.25 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.498 173.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.7 p -83.43 -9.26 59.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.211 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -33.82 56.06 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 123.504 0.722 . . . . 0.0 112.792 -169.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.25 5.88 37.82 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -56.86 -48.8 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.332 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -32.15 70.33 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.522 -173.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -44.07 80.05 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 120.917 0.389 . . . . 0.0 110.875 175.478 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -55.6 -45.85 77.38 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.98 -1.075 . . . . 0.0 112.35 173.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.53 -43.18 97.42 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.684 0.754 . . . . 0.0 110.348 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -61.8 -43.53 98.66 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.127 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -64.16 -42.33 96.77 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 3.4 t -52.33 -51.91 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.38 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 125' ' ' ASN . . . . . 0.508 ' HA ' HD23 ' C' ' 128' ' ' LEU . 2.6 t30 -60.3 -39.57 87.41 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.32 -46.0 82.07 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.445 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -79.0 -24.4 43.75 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 119.437 -0.905 . . . . 0.0 112.47 -174.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.12 -36.13 41.1 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.19 174.527 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 129' ' ' ASN . . . . . 0.458 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.73 -11.1 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -168.547 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -141.2 71.84 27.27 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 169.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.66 167.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.698 1.599 . . . . 0.0 111.672 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo . . . . . 0 C--N 1.289 -2.583 0 C-N-CA 122.545 2.163 . . . . 0.0 111.592 179.829 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 mmt . . . . . 0 CA--C 1.549 0.932 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -91.16 138.21 31.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 126.834 2.584 . . . . 0.0 108.864 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.786 HD11 HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -131.18 162.95 38.31 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 173.453 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.511 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -115.94 140.2 49.48 Favored 'General case' 0 N--CA 1.514 2.746 1 O-C-N 130.614 4.946 . . . . 0.0 108.749 179.639 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 CA-C-O 113.471 -3.157 . . . . 0.0 105.588 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 127.48 41.21 Favored 'General case' 0 N--CA 1.507 2.376 1 O-C-N 129.38 4.175 . . . . 0.0 107.951 -178.147 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 56.7 p -99.55 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.389 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -6.86 48.98 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 124.123 0.889 . . . . 0.0 112.664 -177.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -101.66 15.16 29.81 Favored 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 115.718 -2.393 . . . . 0.0 111.953 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.25 16.79 80.2 Favored Glycine 0 C--N 1.297 -1.613 0 O-C-N 120.28 -1.512 . . . . 0.0 116.1 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -96.52 138.08 34.64 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p -120.04 131.59 55.17 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 126.623 2.452 . . . . 0.0 105.926 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.41 141.92 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 127.639 3.087 . . . . 0.0 108.932 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.47 139.71 36.76 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 117.09 -1.844 . . . . 0.0 108.148 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.42 153.97 44.28 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.325 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -111.73 121.1 44.18 Favored 'General case' 0 N--CA 1.5 2.028 1 O-C-N 129.255 4.097 . . . . 0.0 103.665 173.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.97 170.57 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.34 0 O-C-N 127.625 3.078 . . . . 0.0 111.201 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -119.99 144.5 37.68 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 112.298 -2.228 . . . . 0.0 106.363 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -55.03 -24.33 39.46 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.515 2.143 . . . . 0.0 111.913 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -79.97 -8.22 59.22 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.944 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.91 148.41 47.77 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 117.436 -1.706 . . . . 0.0 109.867 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -83.8 160.47 21.2 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 175.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.7 mp -61.41 -37.12 76.97 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 O-C-N 127.105 2.753 . . . . 0.0 110.239 175.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.56 -40.15 78.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.346 -0.846 . . . . 0.0 110.838 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.27 -41.93 80.34 Favored 'General case' 0 C--O 1.262 1.725 0 O-C-N 121.923 -0.485 . . . . 0.0 110.956 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG21 HD11 ' A' ' 56' ' ' LEU . 12.3 t -58.29 -46.29 89.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -60.87 -37.94 83.87 Favored 'General case' 0 C--O 1.258 1.536 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.741 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.17 87.62 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-N 118.101 0.409 . . . . 0.0 111.15 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -37.42 87.4 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 123.027 1.394 . . . . 0.0 110.751 176.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.455 HG22 ' CG2' ' A' ' 36' ' ' ILE . 71.5 mt -69.98 -39.57 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -48.82 78.4 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 125.568 2.604 . . . . 0.0 109.102 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -41.76 65.62 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.944 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 0.0 OUTLIER -93.61 -24.21 18.0 Favored 'General case' 0 C--O 1.28 2.704 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -175.841 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -123.42 -6.45 8.17 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 123.154 2.706 . . . . 0.0 114.22 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.65 90.0 Favored Glycine 0 CA--C 1.478 -2.237 0 N-CA-C 118.889 2.315 . . . . 0.0 118.889 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.455 ' CG2' HG22 ' A' ' 30' ' ' ILE . 2.5 tp -79.75 124.87 83.27 Favored Pre-proline 0 C--O 1.244 0.799 0 C-N-CA 118.812 -1.155 . . . . 0.0 110.939 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 79.9 Cg_exo -57.02 136.81 78.94 Favored 'Trans proline' 0 C--O 1.256 1.403 0 C-N-CA 123.365 2.71 . . . . 0.0 110.769 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.6 Cg_exo -57.14 -31.96 92.0 Favored 'Trans proline' 0 C--O 1.262 1.71 0 O-C-N 123.014 1.008 . . . . 0.0 113.637 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.47 -15.41 63.54 Favored 'General case' 0 C--O 1.261 1.69 0 O-C-N 119.847 -1.783 . . . . 0.0 112.217 -177.424 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.86 -10.34 29.15 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 120.689 -1.257 . . . . 0.0 112.064 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -84.95 129.61 34.77 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 124.393 2.044 . . . . 0.0 115.738 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HB2' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -120.99 116.06 24.36 Favored 'General case' 0 C--O 1.3 3.752 0 N-CA-C 104.957 -2.238 . . . . 0.0 104.957 172.016 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm? -103.54 130.2 50.9 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 119.546 1.066 . . . . 0.0 109.933 -177.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.467 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -122.0 131.94 72.04 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 O-C-N 125.247 1.592 . . . . 0.0 111.922 -177.61 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -144.44 129.61 18.66 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.07 19.68 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.196 -2.275 . . . . 0.0 110.725 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.67 21.75 60.99 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 128.625 3.012 . . . . 0.0 117.472 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -115.13 142.8 46.16 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 130.26 34.6 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 174.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.45 138.1 37.47 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.193 -175.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' O ' HD13 ' A' ' 23' ' ' ILE . 1.4 tt0 -101.77 140.15 36.45 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 125.038 1.461 . . . . 0.0 109.927 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.97 -42.51 27.85 Favored 'General case' 0 C--O 1.264 1.845 0 N-CA-C 120.85 3.648 . . . . 0.0 120.85 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.95 85.37 Favored Glycine 0 CA--C 1.489 -1.539 0 N-CA-C 116.264 1.266 . . . . 0.0 116.264 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.737 ' O ' HD12 ' A' ' 23' ' ' ILE . 62.3 mtt180 -85.28 165.32 17.42 Favored 'General case' 0 C--O 1.251 1.184 0 O-C-N 119.709 -2.054 . . . . 0.0 108.12 176.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 1.1 p -104.52 164.79 11.5 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD11 HG21 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -61.54 -36.07 79.55 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.277 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 p -64.23 -29.43 70.54 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.307 -1.757 . . . . 0.0 112.226 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -55.49 -39.53 70.54 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.513 1.149 . . . . 0.0 110.743 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -90.88 4.75 51.0 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 117.67 -1.157 . . . . 0.0 112.974 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 58.0 45.2 18.37 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.626 2.012 . . . . 0.0 111.271 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.786 HG22 HD11 ' A' ' 3' ' ' ILE . 7.8 mt -88.69 116.48 30.43 Favored 'Isoleucine or valine' 0 C--O 1.267 1.989 0 CA-C-O 115.133 -2.365 . . . . 0.0 106.189 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.51 169.68 8.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 126.127 2.142 . . . . 0.0 109.322 -176.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 143.0 27.35 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 123.224 1.488 . . . . 0.0 109.115 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 67.02 19.17 10.57 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 117.899 2.555 . . . . 0.0 117.899 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 174.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.9 p -119.14 126.73 52.3 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 118.199 -0.905 . . . . 0.0 108.788 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mp -103.1 154.49 19.23 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.815 -2.517 . . . . 0.0 105.639 175.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -105.61 135.71 46.52 Favored 'General case' 0 C--N 1.287 -2.113 0 O-C-N 127.283 2.864 . . . . 0.0 105.888 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 tt -106.93 115.85 30.89 Favored 'General case' 0 C--O 1.285 2.965 0 CA-C-O 117.584 -1.198 . . . . 0.0 111.434 176.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' A' ' 42' ' ' ARG . 7.7 p -108.11 139.88 28.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.09 138.82 33.17 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.305 0.574 . . . . 0.0 109.816 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -78.63 -24.42 45.28 Favored 'General case' 0 C--N 1.28 -2.452 0 CA-C-O 113.234 -3.27 . . . . 0.0 105.66 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tp -51.88 145.18 10.2 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 125.918 2.011 . . . . 0.0 109.591 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -87.43 163.29 16.82 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 113.614 -1.63 . . . . 0.0 108.833 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.64 -112.83 0.14 Allowed Glycine 0 C--O 1.246 0.891 0 CA-C-N 114.577 -1.192 . . . . 0.0 115.101 -179.016 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.513 0 N-CA-C 108.328 -1.909 . . . . 0.0 108.328 179.452 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.941 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -90.84 138.41 31.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 127.207 2.817 . . . . 0.0 108.887 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.12 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 CA-C-O 115.83 -2.033 . . . . 0.0 105.891 173.242 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 1.187 ' CZ ' ' HB2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -115.99 140.13 49.57 Favored 'General case' 0 N--CA 1.514 2.727 1 O-C-N 130.526 4.891 . . . . 0.0 108.591 179.785 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.402 ' O ' HG22 ' B' ' 5' ' ' VAL . 0.1 OUTLIER -117.91 114.09 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-O 113.502 -3.142 . . . . 0.0 105.777 175.498 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 1.187 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 10.9 tttt -95.13 127.67 41.36 Favored 'General case' 0 N--CA 1.502 2.174 1 O-C-N 129.14 4.025 . . . . 0.0 108.163 -178.138 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 29.2 p -99.62 170.85 8.3 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.772 -1.109 . . . . 0.0 109.26 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.64 HD22 ' O ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.39 -7.07 50.14 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 124.069 0.855 . . . . 0.0 112.829 -178.283 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.56 ' N ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -101.14 14.82 30.73 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 115.68 -2.408 . . . . 0.0 112.063 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.74 80.04 Favored Glycine 0 C--N 1.296 -1.678 0 O-C-N 120.118 -1.614 . . . . 0.0 116.047 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 137.86 34.74 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 174.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' THR . . . . . 0.622 ' HB ' ' CE1' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -119.88 131.86 55.38 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 126.509 2.381 . . . . 0.0 106.266 176.122 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -109.42 141.76 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 127.726 3.141 . . . . 0.0 109.156 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.0 t -101.22 140.0 36.12 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 116.931 -1.908 . . . . 0.0 108.31 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -126.58 154.04 44.45 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 115.476 -2.202 . . . . 0.0 108.372 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -111.81 121.2 44.41 Favored 'General case' 0 N--CA 1.495 1.814 1 O-C-N 129.28 4.112 . . . . 0.0 103.543 174.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.03 170.68 15.8 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 O-C-N 127.823 3.202 . . . . 0.0 111.277 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -120.09 144.53 37.93 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 112.1 -2.318 . . . . 0.0 106.413 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.86 -24.71 39.97 Favored 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 122.717 2.278 . . . . 0.0 111.563 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -79.91 -8.19 59.18 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.922 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.01 148.58 47.48 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 117.264 -1.775 . . . . 0.0 109.737 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.8 p -83.9 160.43 21.11 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 1.24 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.38 -36.75 75.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 126.968 2.667 . . . . 0.0 110.392 175.869 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -43.01 77.89 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.341 -1.474 . . . . 0.0 110.991 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -64.3 -44.53 91.36 Favored 'General case' 0 C--O 1.249 1.064 0 C-N-CA 124.181 0.993 . . . . 0.0 111.471 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -58.56 -46.42 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.86 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -60.75 -37.89 83.35 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.853 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.03 86.76 Favored 'General case' 0 C--O 1.279 2.645 0 O-C-N 123.486 0.492 . . . . 0.0 111.273 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -64.08 -37.4 87.3 Favored 'General case' 0 C--O 1.254 1.301 0 O-C-N 120.449 -1.407 . . . . 0.0 110.844 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -39.73 78.3 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -48.72 79.05 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 125.538 2.59 . . . . 0.0 108.975 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.47 -41.77 66.55 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-N 113.696 -1.593 . . . . 0.0 111.818 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 2.4 mmmp? -93.4 -24.37 18.09 Favored 'General case' 0 C--O 1.281 2.722 0 N-CA-C 117.172 2.286 . . . . 0.0 117.172 -175.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.67 -6.37 8.04 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 122.962 2.619 . . . . 0.0 113.752 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.6 90.0 Favored Glycine 0 CA--C 1.475 -2.436 0 N-CA-C 118.746 2.258 . . . . 0.0 118.746 176.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.481 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 5.0 mm -79.89 125.13 82.67 Favored Pre-proline 0 C--O 1.242 0.681 0 C-N-CA 118.701 -1.2 . . . . 0.0 111.056 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.5 Cg_exo -57.12 136.95 79.6 Favored 'Trans proline' 0 C--O 1.257 1.431 0 C-N-CA 122.988 2.459 . . . . 0.0 110.866 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -57.11 -32.29 92.87 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 123.16 1.084 . . . . 0.0 113.431 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.25 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.813 0 O-C-N 119.913 -1.742 . . . . 0.0 112.306 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.669 ' HB3' HD21 ' B' ' 71' ' ' LEU . 0.5 OUTLIER -95.55 -10.61 29.17 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 120.466 -1.396 . . . . 0.0 112.225 178.44 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -84.8 129.64 34.79 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 124.199 1.952 . . . . 0.0 115.733 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 14.6 mmp_? -121.2 116.09 24.26 Favored 'General case' 0 C--O 1.299 3.676 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 172.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -103.56 130.3 50.95 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.506 1.048 . . . . 0.0 110.013 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mt -122.03 131.56 72.88 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.16 1.538 . . . . 0.0 112.009 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.21 129.83 19.12 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 177.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.21 45.87 19.9 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 111.974 -2.376 . . . . 0.0 110.65 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.95 20.21 59.78 Favored Glycine 0 C--N 1.299 -1.493 0 C-N-CA 128.271 2.844 . . . . 0.0 117.283 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.86 143.8 39.23 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 115.346 -2.264 . . . . 0.0 110.987 174.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -87.17 130.29 34.6 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 104.091 -2.559 . . . . 0.0 104.091 173.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.46 138.38 37.56 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.144 -175.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 1.24 ' O ' HG21 ' B' ' 23' ' ' ILE . 69.6 tt0 -101.92 139.92 36.91 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 125.255 1.597 . . . . 0.0 110.005 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.849 ' O ' HG23 ' B' ' 23' ' ' ILE . 0.3 OUTLIER -48.16 -41.95 28.27 Favored 'General case' 0 C--O 1.262 1.74 0 N-CA-C 120.844 3.646 . . . . 0.0 120.844 -175.761 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.29 -8.57 85.06 Favored Glycine 0 CA--C 1.492 -1.383 0 N-CA-C 115.96 1.144 . . . . 0.0 115.96 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.799 ' O ' HG22 ' B' ' 23' ' ' ILE . 0.2 OUTLIER -85.55 165.37 17.14 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 120.077 -1.837 . . . . 0.0 108.079 176.364 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 3.9 p -104.38 164.48 11.7 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.05 -36.38 79.44 Favored 'General case' 0 C--O 1.202 -1.44 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.8 p -63.74 -29.73 70.91 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 117.294 -1.763 . . . . 0.0 112.208 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -55.64 -39.03 70.32 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 122.494 1.14 . . . . 0.0 110.74 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -91.14 4.51 52.02 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 117.61 -1.186 . . . . 0.0 112.832 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 57.88 45.42 18.42 Favored 'General case' 0 C--O 1.248 1.001 0 CA-C-N 121.726 2.057 . . . . 0.0 111.25 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.9 mt -88.81 116.19 30.0 Favored 'Isoleucine or valine' 0 C--O 1.27 2.144 0 CA-C-O 115.135 -2.364 . . . . 0.0 106.193 175.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -103.24 169.5 8.51 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 126.067 2.104 . . . . 0.0 109.758 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 142.98 27.18 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.14 1.447 . . . . 0.0 109.266 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.93 19.12 10.65 Favored 'General case' 0 C--O 1.256 1.441 0 N-CA-C 117.841 2.534 . . . . 0.0 117.841 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -71.14 159.59 34.41 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' THR . . . . . 0.757 ' HB ' ' CE2' ' B' ' 4' ' ' PHE . 66.2 p -119.1 126.65 52.15 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 118.217 -0.897 . . . . 0.0 108.814 175.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.18 154.54 19.21 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 114.61 -2.614 . . . . 0.0 105.726 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -105.58 135.78 46.37 Favored 'General case' 0 C--N 1.282 -2.332 0 O-C-N 127.709 3.131 . . . . 0.0 105.781 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.09 115.86 30.91 Favored 'General case' 0 C--O 1.283 2.831 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.411 176.637 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.14 139.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 N-CA-C 103.462 -2.792 . . . . 0.0 103.462 175.24 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -96.17 -83.43 0.37 Allowed 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.044 0.45 . . . . 0.0 109.849 178.374 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.403 ' CB ' ' HA2' ' C' ' 101' ' ' GLY . 0.0 OUTLIER 65.68 104.37 0.04 OUTLIER 'General case' 0 C--N 1.278 -2.524 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.449 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.41 -85.71 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 O-C-N 125.731 1.895 . . . . 0.0 109.708 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.97 -178.7 1.87 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.679 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.97 138.12 10.16 Favored Glycine 0 C--O 1.245 0.798 0 CA-C-N 114.788 -1.096 . . . . 0.0 115.244 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.439 0 CA-C-O 116.581 -2.233 . . . . 0.0 108.329 179.099 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 121.984 0.897 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -161.98 56.6 0.25 Allowed 'General case' 0 C--N 1.29 -2.011 0 O-C-N 119.08 -2.263 . . . . 0.0 110.982 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.24 -41.15 5.66 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 126.856 2.062 . . . . 0.0 110.757 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -89.05 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.558 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.2 -39.54 75.13 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.885 172.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 56.9 t -144.4 136.03 21.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 125.244 1.418 . . . . 0.0 107.447 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.33 148.06 34.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.524 165.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -161.03 155.28 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.307 1.004 . . . . 0.0 111.196 173.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -72.2 127.81 33.72 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-N 114.207 -1.36 . . . . 0.0 112.295 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.411 ' HB3' HG23 ' C' ' 47' ' ' VAL . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.098 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.98 164.8 25.13 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.09 -179.22 3.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 31' ' ' MET . . . . . 0.677 ' HG2' ' HB2' ' C' ' 106' ' ' PHE . 0.0 OUTLIER -137.11 161.06 37.15 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.618 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 32' ' ' SER . . . . . 0.504 ' N ' ' SD ' ' C' ' 31' ' ' MET . 70.2 m -136.65 156.51 48.45 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.112 -1.435 . . . . 0.0 108.804 177.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.64 116.16 28.76 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 177.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -112.41 115.84 29.35 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 172.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.23 -116.0 8.57 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 -169.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.97 14.48 18.45 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.417 -0.392 . . . . 0.0 109.995 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -111.98 122.54 48.04 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.512 HG23 ' O ' ' C' ' 38' ' ' VAL . 34.3 m -76.11 120.0 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.696 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.13 119.37 26.49 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.161 -173.372 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.84 134.83 59.46 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-O 122.383 0.91 . . . . 0.0 111.819 173.43 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.79 132.17 34.17 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 172.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -11.33 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -172.3 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.04 144.44 56.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.03 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 125.58 26.82 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.589 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.24 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.203 1.446 . . . . 0.0 115.337 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.41 124.48 36.38 Favored 'General case' 0 N--CA 1.421 -1.917 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 47' ' ' VAL . . . . . 0.411 HG23 ' HB3' ' C' ' 28' ' ' ALA . 85.2 t -91.05 137.57 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 164.673 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -151.9 157.84 42.38 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 122.058 0.932 . . . . 0.0 112.99 175.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 95.3 mt -118.81 131.14 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 113.643 -1.617 . . . . 0.0 108.313 174.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -134.14 137.59 44.62 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.16 122.05 42.38 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.07 171.1 13.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.327 177.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -71.49 -10.5 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.67 -0.812 . . . . 0.0 113.173 -170.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -82.64 7.39 14.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.035 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 19.0 t 73.89 -1.31 3.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.399 1.48 . . . . 0.0 114.755 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.91 149.92 39.29 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.084 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mp -102.26 129.04 54.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.191 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.5 m170 -117.52 125.41 50.8 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -176.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -98.81 118.92 36.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 171.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 81.0 m -127.71 156.89 41.68 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -130.43 128.34 41.12 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.573 -1.649 . . . . 0.0 108.71 169.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -120.75 134.25 55.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.743 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -74.16 115.31 13.5 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.03 -32.39 73.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -176.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 21.6 p -72.55 -46.13 55.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.46 -20.51 21.68 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.516 -176.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.71 60.8 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 119.689 -0.506 . . . . 0.0 113.708 -171.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.5 129.98 39.59 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.646 1.223 . . . . 0.0 113.166 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 69' ' ' VAL . . . . . 0.401 HG22 ' H ' ' C' ' 69' ' ' VAL . 1.1 m -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.444 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -94.55 -28.83 15.21 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.898 -171.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -122.0 135.53 54.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.903 0.859 . . . . 0.0 109.386 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.96 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mt -118.12 123.33 45.32 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.213 -174.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 pp -75.91 124.23 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-O 122.396 1.093 . . . . 0.0 111.725 168.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.402 HD12 ' HG ' ' C' ' 80' ' ' CYS . 26.1 mm -122.97 130.35 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.615 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -101.2 158.96 30.81 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.489 1.118 . . . . 0.0 110.881 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.37 133.9 58.46 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.932 2.421 . . . . 0.0 111.282 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.46 6.81 5.89 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -175.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -70.4 -33.54 71.49 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.05 0.841 . . . . 0.0 109.603 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.402 ' HG ' HD12 ' C' ' 75' ' ' ILE . 0.8 OUTLIER -154.98 168.13 28.02 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.485 -1.286 . . . . 0.0 113.658 -173.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -133.38 139.3 46.71 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 113.515 -1.675 . . . . 0.0 107.003 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -106.73 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.52 156.47 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -67.82 142.87 56.03 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 85' ' ' VAL . . . . . 0.713 HG21 ' CE2' ' C' ' 106' ' ' PHE . 96.3 t -94.29 98.31 2.86 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 171.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -61.02 -31.96 91.73 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.783 2.186 . . . . 0.0 117.783 -167.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.12 8.65 34.54 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.981 -1.488 . . . . 0.0 112.259 -164.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 78.2 m -85.13 119.68 72.71 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -56.93 -19.93 34.23 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 122.995 0.997 . . . . 0.0 114.427 -173.208 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -34.69 78.9 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.426 0.557 . . . . 0.0 110.079 177.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.46 13.03 64.78 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.57 -172.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -120.93 17.06 11.76 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.05 133.45 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -125.02 151.76 45.15 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.438 1.711 . . . . 0.0 110.437 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 13.1 p -127.0 135.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 33.5 tp -95.5 108.12 20.33 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.863 -2.273 . . . . 0.0 104.863 169.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -109.23 125.19 51.99 Favored 'General case' 0 CA--C 1.484 -1.559 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -84.84 115.68 22.88 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.127 0.892 . . . . 0.0 109.17 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -63.45 -25.16 68.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.395 -169.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.22 115.1 28.79 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 173.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 101' ' ' GLY . . . . . 0.564 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 102.0 172.4 27.6 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -172.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.4 9.0 33.52 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.017 -0.696 . . . . 0.0 110.575 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -70.59 129.15 38.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.588 -165.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 141.81 46.14 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.892 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.56 126.15 45.35 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 171.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 106' ' ' PHE . . . . . 0.713 ' CE2' HG21 ' C' ' 85' ' ' VAL . 1.8 m-85 -100.83 143.72 30.65 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 124.73 1.269 . . . . 0.0 110.362 -177.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -137.08 156.64 48.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.251 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -131.46 126.59 35.42 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.544 -0.863 . . . . 0.0 110.397 174.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.63 137.72 58.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.251 -174.714 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -118.8 3.81 11.59 Favored 'General case' 0 N--CA 1.428 -1.57 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.292 179.281 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -61.21 135.88 93.74 Favored Pre-proline 0 C--O 1.266 1.953 0 CA-C-O 123.068 1.413 . . . . 0.0 108.696 172.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.29 -41.36 42.58 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.567 -1.155 . . . . 0.0 112.44 -174.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 146.9 24.25 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.0 110.532 173.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 10.9 t -83.39 -9.3 59.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.199 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -53.57 -33.83 56.17 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -103.23 5.91 37.87 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -56.96 -48.78 77.53 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.225 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.77 -32.27 70.68 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.548 -173.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -67.34 -43.98 80.22 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 120.928 0.394 . . . . 0.0 110.96 175.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -55.58 -45.85 77.3 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.003 -1.061 . . . . 0.0 112.398 173.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.62 -43.13 97.85 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.618 0.723 . . . . 0.0 110.297 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -43.53 98.67 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.167 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -42.38 96.71 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 77.5 t -52.31 -51.88 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.446 175.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.27 -39.57 87.27 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.24 -46.07 82.08 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.462 -178.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -78.99 -24.54 43.71 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.298 -174.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 5.7 mp -79.04 -36.14 41.49 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.762 -0.775 . . . . 0.0 112.228 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -110.73 -11.08 14.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -168.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.2 71.84 27.28 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 169.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 131' ' ' PRO . . . . . 0.569 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 72.4 Cg_exo -51.68 -44.69 42.73 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.597 1.531 . . . . 0.0 111.581 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 132' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 73.1 Cg_exo . . . . . 0 C--N 1.29 -2.535 0 C-N-CA 122.554 2.169 . . . . 0.0 111.558 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 106.887 -1.524 . . . . 0.0 106.887 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -91.16 138.29 31.71 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 126.836 2.585 . . . . 0.0 108.88 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.22 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -115.99 140.15 49.55 Favored 'General case' 0 N--CA 1.515 2.802 1 O-C-N 130.567 4.917 . . . . 0.0 108.804 179.565 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.4 t -118.05 114.29 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.602 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -95.19 127.53 41.32 Favored 'General case' 0 N--CA 1.505 2.287 1 O-C-N 129.374 4.172 . . . . 0.0 107.974 -178.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.409 HG22 HD23 ' A' ' 69' ' ' LEU . 69.6 p -99.66 170.71 8.38 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.865 -1.064 . . . . 0.0 109.28 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 mt -73.29 -7.03 49.79 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.095 0.872 . . . . 0.0 112.686 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.56 15.12 29.88 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.544 -2.462 . . . . 0.0 112.024 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.29 16.83 80.12 Favored Glycine 0 C--N 1.298 -1.574 0 O-C-N 120.197 -1.564 . . . . 0.0 116.124 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.58 138.11 34.65 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 174.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.92 131.66 55.28 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 126.607 2.442 . . . . 0.0 105.938 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.57 141.87 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.685 3.116 . . . . 0.0 108.867 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -101.29 139.78 36.5 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 117.142 -1.823 . . . . 0.0 108.251 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.53 154.02 44.4 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 115.507 -2.187 . . . . 0.0 108.24 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -111.75 120.97 43.81 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.226 4.079 . . . . 0.0 103.673 173.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -138.97 170.58 16.0 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 O-C-N 127.549 3.031 . . . . 0.0 111.25 -177.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.87 144.48 37.43 Favored Pre-proline 0 C--N 1.314 -0.943 0 CA-C-N 112.39 -2.186 . . . . 0.0 106.362 174.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -55.03 -24.3 39.34 Favored 'Trans proline' 0 C--N 1.319 -0.974 0 C-N-CA 122.514 2.143 . . . . 0.0 111.93 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.06 -8.12 59.21 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.918 -177.593 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.0 148.34 47.73 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 117.519 -1.672 . . . . 0.0 109.753 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.7 p -83.7 160.44 21.31 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 175.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.788 HG12 ' HG ' ' A' ' 50' ' ' LEU . 2.0 mp -61.38 -37.11 76.93 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 O-C-N 127.196 2.81 . . . . 0.0 110.236 175.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.57 -40.19 78.4 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.312 -0.867 . . . . 0.0 110.719 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.32 -41.88 80.18 Favored 'General case' 0 C--O 1.262 1.735 0 O-C-N 121.883 -0.51 . . . . 0.0 110.948 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.21 -46.49 88.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 O-C-N 124.446 1.092 . . . . 0.0 109.143 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HE3' HD21 ' A' ' 50' ' ' LEU . 4.1 mmtp -60.82 -37.97 83.82 Favored 'General case' 0 C--O 1.258 1.541 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.697 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.07 87.21 Favored 'General case' 0 C--O 1.277 2.54 0 CA-C-N 118.121 0.419 . . . . 0.0 111.149 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -37.42 87.42 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 123.089 1.423 . . . . 0.0 110.719 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 mt -69.98 -39.52 77.53 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -62.23 -48.79 78.41 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.571 2.605 . . . . 0.0 109.079 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -41.83 65.53 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 113.433 -1.712 . . . . 0.0 111.939 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -93.51 -24.32 18.03 Favored 'General case' 0 C--O 1.28 2.705 0 N-CA-C 117.233 2.309 . . . . 0.0 117.233 -175.847 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -123.35 -6.53 8.21 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 123.056 2.662 . . . . 0.0 114.292 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.08 5.61 90.0 Favored Glycine 0 CA--C 1.477 -2.287 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 28.8 mm -79.78 124.73 83.28 Favored Pre-proline 0 C--O 1.244 0.812 0 C-N-CA 118.872 -1.131 . . . . 0.0 110.977 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 80.1 Cg_exo -56.88 136.86 78.97 Favored 'Trans proline' 0 C--O 1.258 1.489 0 C-N-CA 123.407 2.738 . . . . 0.0 110.808 178.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.4 Cg_exo -57.19 -31.95 92.07 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 123.006 1.003 . . . . 0.0 113.686 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -15.34 63.51 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 119.851 -1.781 . . . . 0.0 112.188 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.98 -10.27 29.02 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 120.633 -1.292 . . . . 0.0 112.025 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -84.8 129.55 34.8 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 124.334 2.016 . . . . 0.0 115.685 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -121.03 116.11 24.42 Favored 'General case' 0 C--O 1.3 3.725 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 171.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.778 ' CB ' HD22 ' A' ' 50' ' ' LEU . 1.6 tp -103.59 130.24 50.97 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 119.548 1.067 . . . . 0.0 109.913 -177.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mt -121.98 131.79 72.36 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 O-C-N 125.135 1.522 . . . . 0.0 111.869 -177.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -144.4 129.58 18.67 Favored 'General case' 0 C--N 1.36 1.047 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.18 19.54 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.197 -2.274 . . . . 0.0 110.696 177.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' HA3' ' CD2' ' C' ' 98' ' ' PHE . . . 61.51 21.82 60.72 Favored Glycine 0 N--CA 1.431 -1.644 0 C-N-CA 128.759 3.076 . . . . 0.0 117.506 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -115.1 142.78 46.18 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -85.86 130.31 34.58 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 103.753 -2.684 . . . . 0.0 103.753 174.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.897 ' O ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -79.49 138.12 37.45 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 117.649 -1.167 . . . . 0.0 110.22 -175.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -101.71 140.12 36.43 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 125.067 1.48 . . . . 0.0 109.959 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -48.12 -42.42 29.08 Favored 'General case' 0 C--O 1.264 1.83 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.84 85.42 Favored Glycine 0 CA--C 1.49 -1.527 0 N-CA-C 116.191 1.236 . . . . 0.0 116.191 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -85.3 165.32 17.39 Favored 'General case' 0 C--O 1.251 1.133 0 O-C-N 119.73 -2.041 . . . . 0.0 108.09 176.348 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.6 t -104.45 164.83 11.47 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.55 -36.01 79.4 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.429 ' N ' HG23 ' A' ' 55' ' ' THR . 8.3 t -64.13 -29.52 70.64 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.217 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.44 -39.58 70.48 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.451 1.119 . . . . 0.0 110.759 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -90.83 4.72 50.99 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 117.693 -1.146 . . . . 0.0 113.004 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.09 45.27 18.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 121.59 1.996 . . . . 0.0 111.191 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.7 mt -88.8 116.49 30.51 Favored 'Isoleucine or valine' 0 C--O 1.266 1.943 0 CA-C-O 115.187 -2.339 . . . . 0.0 106.227 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.54 169.66 8.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 126.075 2.109 . . . . 0.0 109.334 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -54.91 142.94 27.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 123.256 1.503 . . . . 0.0 109.045 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 67.11 19.1 10.47 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.4 t -71.16 159.51 34.54 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.16 126.81 52.47 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 118.173 -0.918 . . . . 0.0 108.786 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -103.18 154.6 19.15 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.779 -2.534 . . . . 0.0 105.627 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -105.66 135.69 46.62 Favored 'General case' 0 C--N 1.287 -2.125 0 O-C-N 127.287 2.867 . . . . 0.0 105.787 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.409 HD23 HG22 ' A' ' 7' ' ' THR . 43.2 tp -106.81 115.77 30.77 Favored 'General case' 0 C--O 1.286 3.01 0 CA-C-O 117.533 -1.222 . . . . 0.0 111.551 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.12 139.95 28.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 103.538 -2.764 . . . . 0.0 103.538 175.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.06 138.93 32.97 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.191 0.52 . . . . 0.0 109.827 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.97 145.26 56.1 Favored 'General case' 0 C--N 1.278 -2.508 0 CA-C-O 113.21 -3.281 . . . . 0.0 105.539 178.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.22 78.94 3.75 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 125.912 2.008 . . . . 0.0 109.567 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 60.62 104.08 0.02 OUTLIER 'General case' 0 C--O 1.246 0.876 0 CA-C-N 113.664 -1.607 . . . . 0.0 108.863 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.7 129.5 3.71 Favored Glycine 0 C--O 1.246 0.86 0 CA-C-N 114.551 -1.204 . . . . 0.0 115.132 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.571 0 N-CA-C 108.21 -1.956 . . . . 0.0 108.21 179.445 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -91.04 138.45 31.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 127.105 2.753 . . . . 0.0 108.798 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.577 HG23 ' N ' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -131.12 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 CA-C-O 115.75 -2.072 . . . . 0.0 105.841 173.295 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 1.018 ' CE2' ' HB ' ' B' ' 12' ' ' THR . 0.1 OUTLIER -115.93 140.22 49.46 Favored 'General case' 0 N--CA 1.515 2.794 1 O-C-N 130.721 5.013 . . . . 0.0 108.599 179.667 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.738 ' N ' ' CD2' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -117.96 114.12 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-O 113.444 -3.17 . . . . 0.0 105.739 175.498 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.972 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.12 127.6 41.3 Favored 'General case' 0 N--CA 1.502 2.146 1 O-C-N 129.122 4.014 . . . . 0.0 108.153 -178.147 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.813 HG23 ' H ' ' B' ' 9' ' ' THR . 8.3 t -99.54 170.85 8.31 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.38 -7.03 49.93 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.114 0.884 . . . . 0.0 112.864 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.813 ' H ' HG23 ' B' ' 7' ' ' THR . 17.2 m -101.2 14.78 30.88 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 115.673 -2.411 . . . . 0.0 111.929 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.53 16.61 80.1 Favored Glycine 0 C--N 1.296 -1.649 0 O-C-N 120.176 -1.577 . . . . 0.0 116.089 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.421 ' O ' HG22 ' B' ' 7' ' ' THR . 1.0 OUTLIER -96.24 137.87 34.69 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 105.526 -2.027 . . . . 0.0 105.526 174.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 12' ' ' THR . . . . . 1.018 ' HB ' ' CE2' ' B' ' 4' ' ' PHE . 0.5 OUTLIER -119.86 131.99 55.43 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 126.301 2.251 . . . . 0.0 106.198 176.095 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -109.55 141.73 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 127.706 3.129 . . . . 0.0 109.093 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p -101.13 139.85 36.24 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 116.989 -1.884 . . . . 0.0 108.447 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -126.44 154.07 44.18 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 115.512 -2.185 . . . . 0.0 108.463 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -111.84 121.14 44.25 Favored 'General case' 0 N--CA 1.497 1.891 1 O-C-N 129.224 4.077 . . . . 0.0 103.504 174.127 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.682 HG21 HD11 ' B' ' 56' ' ' LEU . 2.5 p -139.04 170.58 15.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.296 0 O-C-N 127.732 3.145 . . . . 0.0 111.247 -177.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.546 ' H ' HG22 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -120.01 144.65 38.06 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.098 -2.319 . . . . 0.0 106.346 174.597 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 74.3 Cg_exo -54.94 -24.77 40.85 Favored 'Trans proline' 0 C--N 1.317 -1.085 0 C-N-CA 122.761 2.308 . . . . 0.0 111.516 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.85 -8.24 59.18 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.901 -177.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.93 148.49 47.67 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 117.298 -1.761 . . . . 0.0 109.759 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.83 160.47 21.17 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.714 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.693 HG13 HD12 ' B' ' 50' ' ' LEU . 8.2 mm -61.38 -36.8 75.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 126.962 2.664 . . . . 0.0 110.427 175.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.791 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.14 -42.89 77.66 Favored 'General case' 0 C--O 1.252 1.213 0 O-C-N 120.434 -1.416 . . . . 0.0 111.015 176.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.5 -44.47 90.83 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 124.217 1.007 . . . . 0.0 111.366 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.63 -46.29 90.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.81 1.319 . . . . 0.0 108.957 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.804 ' O ' ' NE2' ' B' ' 31' ' ' GLN . 17.0 mttt -60.77 -37.86 83.29 Favored 'General case' 0 C--O 1.255 1.353 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.941 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.651 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -66.4 -37.9 86.27 Favored 'General case' 0 C--O 1.278 2.591 0 O-C-N 123.416 0.447 . . . . 0.0 111.313 176.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -64.06 -37.42 87.36 Favored 'General case' 0 C--O 1.255 1.355 0 O-C-N 120.507 -1.37 . . . . 0.0 110.835 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.512 HD13 HE22 ' B' ' 41' ' ' GLN . 3.5 mt -69.76 -39.74 78.3 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLN . . . . . 1.199 ' OE1' ' O ' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -61.96 -48.77 78.88 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.547 2.594 . . . . 0.0 109.036 179.608 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.33 -41.9 66.19 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.835 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.319 3.1 ttmt -93.49 -24.22 18.08 Favored 'General case' 0 C--O 1.28 2.709 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 -175.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -123.66 -6.24 8.05 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 122.921 2.6 . . . . 0.0 113.778 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.92 5.65 89.96 Favored Glycine 0 CA--C 1.475 -2.45 0 N-CA-C 118.748 2.259 . . . . 0.0 118.748 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 1.199 ' O ' ' OE1' ' B' ' 31' ' ' GLN . 11.8 mt -80.02 125.01 82.68 Favored Pre-proline 0 C--O 1.242 0.683 0 C-N-CA 118.677 -1.209 . . . . 0.0 111.047 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 79.7 Cg_exo -57.08 136.96 79.7 Favored 'Trans proline' 0 C--O 1.256 1.423 0 C-N-CA 122.88 2.387 . . . . 0.0 110.958 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.8 ' HG3' ' HG3' ' B' ' 31' ' ' GLN . 35.8 Cg_exo -57.19 -32.11 92.57 Favored 'Trans proline' 0 C--O 1.262 1.708 0 O-C-N 123.009 1.005 . . . . 0.0 113.38 -179.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -68.35 -15.49 63.58 Favored 'General case' 0 C--O 1.264 1.862 0 O-C-N 120.056 -1.653 . . . . 0.0 112.219 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.791 ' HB3' HD11 ' B' ' 71' ' ' LEU . 2.0 mm100 -95.6 -10.62 29.02 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.378 -1.451 . . . . 0.0 112.16 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLN . . . . . 0.512 HE22 HD13 ' B' ' 30' ' ' ILE . 3.0 mt-30 -84.89 129.61 34.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 124.252 1.977 . . . . 0.0 115.759 -177.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 12.1 mmp_? -121.15 116.24 24.58 Favored 'General case' 0 C--O 1.298 3.63 0 N-CA-C 104.744 -2.317 . . . . 0.0 104.744 172.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mt -103.68 130.29 51.13 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 119.522 1.055 . . . . 0.0 109.964 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.63 ' C ' ' CD2' ' B' ' 45' ' ' PHE . 0.7 OUTLIER -122.04 131.58 72.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 125.077 1.486 . . . . 0.0 112.032 -177.476 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.774 ' N ' ' CD2' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.28 129.85 19.06 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 105.302 -2.11 . . . . 0.0 105.302 177.429 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.43 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . . . 48.18 45.99 19.77 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 112.051 -2.341 . . . . 0.0 110.62 177.375 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 20.28 59.59 Favored Glycine 0 C--N 1.297 -1.603 0 C-N-CA 128.263 2.84 . . . . 0.0 117.389 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -109.93 143.83 39.3 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 115.383 -2.246 . . . . 0.0 110.905 174.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -87.21 130.32 34.61 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 103.972 -2.603 . . . . 0.0 103.972 173.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.703 HD23 ' CD2' ' B' ' 45' ' ' PHE . 1.4 mm? -79.49 138.39 37.53 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 117.573 -1.203 . . . . 0.0 110.136 -175.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.92 140.12 36.63 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 125.273 1.608 . . . . 0.0 109.932 -177.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.791 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.4 OUTLIER -48.36 -42.17 30.76 Favored 'General case' 0 C--O 1.264 1.816 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.695 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.0 -8.71 85.36 Favored Glycine 0 N--CA 1.476 1.307 0 N-CA-C 115.967 1.147 . . . . 0.0 115.967 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 165.18 17.32 Favored 'General case' 0 C--O 1.251 1.181 0 O-C-N 120.237 -1.743 . . . . 0.0 108.094 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.9 p -104.24 164.51 11.67 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.682 HD11 HG21 ' B' ' 17' ' ' VAL . 2.1 mt -61.06 -36.53 79.85 Favored 'General case' 0 C--O 1.201 -1.457 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.229 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -63.6 -29.85 71.04 Favored 'General case' 0 C--O 1.267 1.981 0 C-N-CA 117.326 -1.75 . . . . 0.0 112.201 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -55.64 -38.95 70.21 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 122.591 1.186 . . . . 0.0 110.812 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.756 ' CZ ' ' HB2' ' B' ' 45' ' ' PHE . 28.4 t80 -91.08 4.35 52.37 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 117.582 -1.199 . . . . 0.0 112.872 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.99 45.41 18.09 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 121.713 2.051 . . . . 0.0 111.261 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.0 OUTLIER -88.83 116.32 30.23 Favored 'Isoleucine or valine' 0 C--O 1.269 2.114 0 CA-C-O 115.065 -2.397 . . . . 0.0 106.302 175.814 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.37 169.48 8.52 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 126.144 2.153 . . . . 0.0 109.712 -176.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -54.85 142.98 27.29 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 123.225 1.488 . . . . 0.0 109.229 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.07 18.99 10.53 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.447 ' HB3' HD13 ' B' ' 61' ' ' ILE . 7.1 t -71.12 159.58 34.44 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.0 t -119.06 126.6 52.07 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 118.221 -0.895 . . . . 0.0 108.772 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.575 ' HG ' ' HA ' ' B' ' 5' ' ' VAL . 2.5 pp -103.14 154.57 19.16 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.66 -2.59 . . . . 0.0 105.768 175.03 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -105.65 135.85 46.32 Favored 'General case' 0 C--N 1.282 -2.336 0 O-C-N 127.473 2.983 . . . . 0.0 105.636 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.3 tp -107.15 115.81 30.83 Favored 'General case' 0 C--O 1.284 2.882 0 CA-C-O 117.572 -1.204 . . . . 0.0 111.393 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -108.12 139.94 28.43 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 N-CA-C 103.411 -2.811 . . . . 0.0 103.411 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.11 -83.4 0.37 Allowed 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.15 0.5 . . . . 0.0 109.876 178.325 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.2 OUTLIER 150.23 153.79 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.546 0 CA-C-O 113.399 -3.191 . . . . 0.0 105.415 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.46 HD12 ' O ' ' B' ' 72' ' ' ARG . 0.7 OUTLIER -148.98 87.53 1.55 Allowed 'General case' 0 C--N 1.294 -1.834 0 O-C-N 125.639 1.837 . . . . 0.0 109.729 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 49.35 -171.11 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 113.764 -1.562 . . . . 0.0 108.714 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.14 -137.4 10.71 Favored Glycine 0 C--O 1.246 0.875 0 CA-C-N 114.866 -1.061 . . . . 0.0 115.268 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.463 0 CA-C-O 116.532 -2.26 . . . . 0.0 108.334 179.089 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 121.998 0.904 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -73.56 -25.28 60.3 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 119.095 -2.253 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -57.84 3.89 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 126.845 2.058 . . . . 0.0 110.645 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -89.12 137.86 31.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.557 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.497 HD23 ' CD2' ' C' ' 127' ' ' TYR . 8.2 mp -70.18 -39.6 75.15 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.603 0.716 . . . . 0.0 111.833 172.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 t -144.37 136.06 21.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.247 1.419 . . . . 0.0 107.472 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -144.37 147.99 34.12 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.603 165.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -160.94 155.29 23.16 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 124.324 1.015 . . . . 0.0 111.257 173.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.27 127.83 33.78 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-N 114.295 -1.32 . . . . 0.0 112.34 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.19 147.66 6.72 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.062 0.934 . . . . 0.0 110.098 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.01 164.84 25.11 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.12 -179.2 3.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 31' ' ' MET . . . . . 0.513 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.11 161.11 37.03 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.673 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 32' ' ' SER . . . . . 0.513 ' N ' ' HG2' ' C' ' 31' ' ' MET . 5.4 m -136.67 156.41 48.57 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 118.156 -1.418 . . . . 0.0 108.8 177.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 116.14 28.74 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.944 -1.872 . . . . 0.0 105.944 177.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.32 115.83 29.38 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 172.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.22 -116.0 8.57 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.0 14.56 18.43 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.416 -0.392 . . . . 0.0 109.994 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -112.06 122.46 47.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -172.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.508 HG23 ' HG3' ' C' ' 31' ' ' MET . 0.2 OUTLIER -76.11 120.01 25.28 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.747 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -124.05 119.41 26.58 Favored Pre-proline 0 C--O 1.245 0.866 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.141 -173.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.84 59.27 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 CA-C-O 122.309 0.879 . . . . 0.0 111.836 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -85.74 132.11 34.2 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 172.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.88 -11.25 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -172.272 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 144.5 55.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -173.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -68.12 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 171.61 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.38 171.26 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.299 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 8.4 tp -128.37 124.41 36.33 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 175.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -91.03 137.64 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 164.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -152.0 157.76 42.15 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.041 0.924 . . . . 0.0 113.017 175.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 82.9 mt -118.8 131.08 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 113.602 -1.636 . . . . 0.0 108.351 174.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.07 137.64 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-N 115.019 -0.992 . . . . 0.0 108.338 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 39.2 tt0 -100.16 122.01 42.33 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.06 171.11 13.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.291 177.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.52 -10.45 59.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.67 -0.812 . . . . 0.0 113.165 -170.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.66 7.45 14.74 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.987 170.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t 73.71 -1.23 3.12 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.505 1.522 . . . . 0.0 114.744 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.84 149.94 39.42 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.116 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 mm -102.21 129.06 54.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.197 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.5 OUTLIER -117.59 125.35 50.62 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -176.488 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 59' ' ' PHE . . . . . 0.403 ' HB2' HG13 ' C' ' 75' ' ' ILE . 20.4 t80 -98.73 119.0 36.73 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 171.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 14.6 m -127.74 156.94 41.63 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -171.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -130.53 128.33 40.93 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.702 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -120.72 134.36 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.772 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -74.28 115.28 13.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 173.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -64.04 -32.4 73.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -176.193 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 68.8 p -72.51 -46.13 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -91.39 -20.57 21.67 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.539 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.71 60.93 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-O 119.778 -0.457 . . . . 0.0 113.775 -171.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.57 130.04 39.69 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.606 1.203 . . . . 0.0 113.157 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -84.1 109.07 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 173.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.44 -28.92 15.23 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.946 -171.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.97 135.56 54.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.82 0.819 . . . . 0.0 109.383 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -154.99 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mp -118.08 123.2 45.05 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.296 -174.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.87 124.28 33.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.432 1.111 . . . . 0.0 111.715 168.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.755 ' HB ' HD23 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -122.97 130.43 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.615 -174.36 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.31 158.91 30.88 Favored Pre-proline 0 C--O 1.241 0.652 0 O-C-N 124.463 1.102 . . . . 0.0 110.856 173.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.34 133.92 58.46 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.92 2.413 . . . . 0.0 111.31 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.58 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -70.47 -33.55 71.39 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.038 0.835 . . . . 0.0 109.579 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 20.4 p -154.93 168.16 27.89 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.43 -1.308 . . . . 0.0 113.639 -173.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.45 139.29 46.62 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 113.441 -1.709 . . . . 0.0 107.009 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -106.67 124.16 49.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -148.51 156.46 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.8 142.76 56.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.449 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.15 98.42 2.87 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 171.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.1 -31.96 91.08 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 N-CA-C 117.742 2.17 . . . . 0.0 117.742 -167.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.12 8.66 34.5 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.981 -1.488 . . . . 0.0 112.259 -164.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.09 119.59 72.65 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.83 -19.95 33.64 Favored 'Trans proline' 0 C--N 1.346 0.431 0 O-C-N 122.937 0.967 . . . . 0.0 114.437 -173.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -65.54 -34.52 78.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.383 0.538 . . . . 0.0 110.137 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 12.99 64.73 Favored Glycine 0 CA--C 1.506 -0.492 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.505 -172.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 92' ' ' ARG . . . . . 0.483 HH11 ' HD3' ' C' ' 92' ' ' ARG . 1.3 mmt180 -120.98 17.13 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 69.7 t -97.05 133.45 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -125.03 151.85 45.05 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.481 1.738 . . . . 0.0 110.408 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 4.5 p -127.06 135.27 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 tp -95.34 108.15 20.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 169.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -109.28 125.16 52.0 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -171.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.41 ' CD2' ' HA3' ' A' ' 47' ' ' GLY . 68.4 m-85 -84.77 115.64 22.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.026 0.828 . . . . 0.0 109.189 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -25.19 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.356 -169.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.24 115.19 28.93 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 173.547 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 101' ' ' GLY . . . . . 0.664 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.88 172.48 27.76 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -172.782 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.38 8.95 33.71 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.047 -0.678 . . . . 0.0 110.482 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -70.66 129.24 38.63 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 141.84 46.21 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.908 175.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 14.6 mt -124.63 126.19 45.35 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 106' ' ' PHE . . . . . 0.457 ' HB2' ' SD ' ' C' ' 31' ' ' MET . 15.9 m-85 -100.85 143.65 30.76 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 124.718 1.261 . . . . 0.0 110.336 -177.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -137.03 156.64 48.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.294 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -131.43 126.59 35.48 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.589 -0.845 . . . . 0.0 110.416 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 5.0 mmt -62.72 137.74 58.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.264 -174.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -118.83 3.97 11.55 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.271 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.34 135.96 93.97 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.146 1.451 . . . . 0.0 108.637 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.3 -41.38 42.32 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 117.611 -1.126 . . . . 0.0 112.363 -174.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 146.95 24.23 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 121.138 0.494 . . . . 0.0 110.479 173.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 80.9 p -83.48 -9.23 59.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.182 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -53.57 -33.82 56.15 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -103.23 5.89 37.86 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -56.87 -48.86 77.14 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.0 -1.08 . . . . 0.0 110.247 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -69.83 -32.22 70.53 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.543 -173.401 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.27 -44.03 80.34 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -55.65 -45.88 77.56 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.025 -1.047 . . . . 0.0 112.249 173.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 9.6 t -60.61 -43.02 97.92 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.681 0.753 . . . . 0.0 110.336 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -43.51 98.7 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.072 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -64.22 -42.3 96.63 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 11.3 t -52.31 -51.93 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.386 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.3 -39.48 87.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.37 -45.97 81.96 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.453 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 127' ' ' TYR . . . . . 0.497 ' CD2' HD23 ' C' ' 23' ' ' LEU . 71.7 m-85 -78.98 -24.51 43.76 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.474 -0.89 . . . . 0.0 112.394 -174.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 1.053 HD22 ' O ' ' C' ' 128' ' ' LEU . 0.3 OUTLIER -79.04 -36.06 41.61 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.711 -0.795 . . . . 0.0 112.254 174.518 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 129' ' ' ASN . . . . . 0.456 ' N ' HD13 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.82 -11.04 14.41 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -168.536 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -141.18 71.81 27.37 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 169.424 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 131' ' ' PRO . . . . . 0.561 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 60.2 Cg_exo -52.4 -45.18 41.42 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.59 1.527 . . . . 0.0 111.645 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 132' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 92.3 Cg_endo . . . . . 0 C--N 1.289 -2.59 0 C-N-CA 122.426 2.084 . . . . 0.0 111.654 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 CA--C 1.55 0.953 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.07 138.21 31.77 Favored 'General case' 0 C--O 1.264 1.821 0 O-C-N 126.946 2.654 . . . . 0.0 108.968 178.201 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.551 HG23 ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.28 163.02 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.343 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 173.538 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.551 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -115.99 140.21 49.49 Favored 'General case' 0 N--CA 1.513 2.682 1 O-C-N 130.51 4.881 . . . . 0.0 108.705 179.727 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.5 t -118.14 114.23 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-O 113.426 -3.178 . . . . 0.0 105.578 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -95.19 127.58 41.36 Favored 'General case' 0 N--CA 1.507 2.392 1 O-C-N 129.381 4.176 . . . . 0.0 107.899 -178.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.8 p -99.67 170.72 8.37 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.89 -1.053 . . . . 0.0 109.294 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -7.0 49.7 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.153 0.908 . . . . 0.0 112.656 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.8 p -101.54 15.03 30.17 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.694 -2.403 . . . . 0.0 112.059 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.31 16.76 80.16 Favored Glycine 0 C--N 1.298 -1.54 0 O-C-N 120.159 -1.588 . . . . 0.0 116.106 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 138.1 34.51 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 175.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.01 131.68 55.22 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 126.574 2.421 . . . . 0.0 105.916 176.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.6 141.97 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 127.562 3.039 . . . . 0.0 108.831 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 t -101.4 139.68 36.74 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 117.124 -1.83 . . . . 0.0 108.252 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mp -126.46 154.07 44.21 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 115.384 -2.246 . . . . 0.0 108.303 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -111.86 120.99 43.81 Favored 'General case' 0 N--CA 1.499 1.985 1 O-C-N 129.277 4.11 . . . . 0.0 103.709 173.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.85 170.55 16.15 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 O-C-N 127.467 2.979 . . . . 0.0 111.184 -177.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.958 0 CA-C-N 112.327 -2.215 . . . . 0.0 106.355 174.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -54.99 -24.38 39.37 Favored 'Trans proline' 0 C--N 1.321 -0.883 0 C-N-CA 122.465 2.11 . . . . 0.0 111.967 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -79.92 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.918 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.04 148.4 47.6 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 117.483 -1.687 . . . . 0.0 109.796 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.74 160.45 21.26 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 175.755 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.9 mm -61.38 -37.17 77.07 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 O-C-N 127.18 2.8 . . . . 0.0 110.296 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -40.2 78.21 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.322 -0.861 . . . . 0.0 110.745 177.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -68.19 -42.0 80.59 Favored 'General case' 0 C--O 1.262 1.716 0 O-C-N 121.83 -0.544 . . . . 0.0 110.979 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -46.51 88.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 124.402 1.064 . . . . 0.0 109.141 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.75 -37.9 83.36 Favored 'General case' 0 C--O 1.258 1.536 0 CA-C-O 118.872 -0.585 . . . . 0.0 110.731 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.17 87.4 Favored 'General case' 0 C--O 1.277 2.532 0 CA-C-N 118.186 0.448 . . . . 0.0 111.134 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -64.09 -37.5 87.68 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-O 123.012 1.387 . . . . 0.0 110.666 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.512 HG22 ' CG2' ' A' ' 36' ' ' ILE . 5.4 mt -69.99 -39.45 77.42 Favored 'Isoleucine or valine' 0 C--O 1.251 1.175 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.39 -48.59 79.07 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 125.481 2.563 . . . . 0.0 109.073 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -41.74 65.89 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-N 113.56 -1.655 . . . . 0.0 111.937 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 22.0 tttt -93.6 -24.19 18.01 Favored 'General case' 0 C--O 1.28 2.669 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -175.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -123.44 -6.52 8.16 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.115 2.689 . . . . 0.0 114.278 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.64 89.95 Favored Glycine 0 CA--C 1.479 -2.187 0 N-CA-C 118.811 2.285 . . . . 0.0 118.811 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.512 ' CG2' HG22 ' A' ' 30' ' ' ILE . 9.9 tt -79.78 124.7 83.3 Favored Pre-proline 0 C--O 1.245 0.821 0 C-N-CA 118.891 -1.124 . . . . 0.0 110.898 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 80.0 Cg_exo -56.88 136.91 79.24 Favored 'Trans proline' 0 C--O 1.26 1.597 0 C-N-CA 123.317 2.678 . . . . 0.0 110.804 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.6 Cg_exo -57.25 -31.93 92.16 Favored 'Trans proline' 0 C--O 1.262 1.701 0 O-C-N 123.014 1.007 . . . . 0.0 113.677 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -68.39 -15.39 63.54 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 119.811 -1.805 . . . . 0.0 112.323 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -95.92 -10.36 28.94 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.677 -1.264 . . . . 0.0 112.029 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.4 mt-30 -84.81 129.58 34.8 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 124.345 2.021 . . . . 0.0 115.749 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -121.04 116.09 24.39 Favored 'General case' 0 C--O 1.3 3.711 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 171.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.0 mt -103.52 130.13 50.85 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 119.535 1.061 . . . . 0.0 110.017 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.425 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -122.02 131.84 72.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 O-C-N 125.229 1.58 . . . . 0.0 111.897 -177.487 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -144.38 129.54 18.65 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.25 46.06 20.01 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.21 -2.268 . . . . 0.0 110.697 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.59 21.72 60.77 Favored Glycine 0 N--CA 1.432 -1.575 0 C-N-CA 128.61 3.005 . . . . 0.0 117.534 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.05 142.8 46.15 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.78 130.29 34.6 Favored 'General case' 0 C--O 1.258 1.546 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 174.529 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 mt -79.5 138.1 37.43 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 117.67 -1.157 . . . . 0.0 110.212 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -101.67 140.16 36.33 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.103 1.502 . . . . 0.0 110.0 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -47.98 -42.53 28.0 Favored 'General case' 0 C--O 1.264 1.828 0 N-CA-C 120.82 3.637 . . . . 0.0 120.82 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.94 85.38 Favored Glycine 0 CA--C 1.49 -1.507 0 N-CA-C 116.22 1.248 . . . . 0.0 116.22 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -85.36 165.29 17.37 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 119.769 -2.018 . . . . 0.0 108.136 176.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.6 t -104.51 164.86 11.45 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.513 HD22 HD13 ' A' ' 61' ' ' ILE . 10.7 mt -61.63 -35.96 79.4 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -64.15 -29.43 70.55 Favored 'General case' 0 C--O 1.267 2.025 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.251 -179.619 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -39.66 70.64 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.447 1.118 . . . . 0.0 110.643 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -90.75 4.67 50.96 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 117.679 -1.153 . . . . 0.0 112.977 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 m120 58.04 45.2 18.26 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 121.626 2.012 . . . . 0.0 111.22 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.513 HD13 HD22 ' A' ' 56' ' ' LEU . 4.4 mt -88.71 116.53 30.53 Favored 'Isoleucine or valine' 0 C--O 1.267 1.982 0 CA-C-O 115.19 -2.338 . . . . 0.0 106.18 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 -103.53 169.61 8.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 126.046 2.091 . . . . 0.0 109.398 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 142.87 27.58 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 123.272 1.51 . . . . 0.0 109.17 -176.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 67.05 19.3 10.52 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 117.96 2.578 . . . . 0.0 117.96 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.22 159.54 34.45 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 174.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.411 ' HB ' HG23 ' B' ' 70' ' ' VAL . 0.9 OUTLIER -119.21 126.82 52.44 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 118.119 -0.943 . . . . 0.0 108.769 175.835 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mt -103.21 154.6 19.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.669 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.422 ' O ' HG23 ' A' ' 44' ' ' ILE . 13.1 t60 -105.67 135.62 46.75 Favored 'General case' 0 C--N 1.285 -2.202 0 O-C-N 127.375 2.922 . . . . 0.0 105.875 177.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tt -106.81 115.8 30.82 Favored 'General case' 0 C--O 1.286 2.994 0 CA-C-O 117.591 -1.195 . . . . 0.0 111.464 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.15 139.99 28.29 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 N-CA-C 103.544 -2.762 . . . . 0.0 103.544 175.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.12 138.83 33.17 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.292 0.567 . . . . 0.0 109.74 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.95 143.95 43.44 Favored 'General case' 0 C--O 1.276 2.451 0 CA-C-O 113.146 -3.311 . . . . 0.0 105.574 178.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.14 62.67 0.89 Allowed 'General case' 0 C--N 1.289 -2.023 0 O-C-N 125.963 2.039 . . . . 0.0 109.611 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 59.95 44.01 14.04 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 113.651 -1.613 . . . . 0.0 108.892 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.54 -61.18 0.05 OUTLIER Glycine 0 C--O 1.245 0.818 0 CA-C-N 114.515 -1.22 . . . . 0.0 115.204 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.513 0 N-CA-C 108.221 -1.952 . . . . 0.0 108.221 179.318 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mmt . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -91.02 138.48 31.57 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 127.135 2.772 . . . . 0.0 108.837 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pp -131.12 163.09 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 CA-C-O 115.844 -2.027 . . . . 0.0 105.883 173.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 1.007 ' CE1' ' HB ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -116.03 140.29 49.41 Favored 'General case' 0 N--CA 1.515 2.784 1 O-C-N 130.579 4.924 . . . . 0.0 108.533 179.763 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.739 ' N ' ' CD1' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -117.99 113.95 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 113.39 -3.195 . . . . 0.0 105.824 175.513 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.822 ' CB ' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.01 127.63 41.21 Favored 'General case' 0 N--CA 1.503 2.215 1 O-C-N 129.186 4.054 . . . . 0.0 108.184 -178.176 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.714 ' H ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.33 -7.0 49.74 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 124.066 0.854 . . . . 0.0 112.81 -178.271 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.2 t -101.24 14.82 30.77 Favored 'General case' 0 N--CA 1.506 2.335 0 C-N-CA 115.697 -2.401 . . . . 0.0 111.974 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.56 16.52 80.16 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 120.224 -1.547 . . . . 0.0 116.084 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 137.97 34.5 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 174.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' THR . . . . . 1.007 ' HB ' ' CE1' ' B' ' 4' ' ' PHE . 0.4 OUTLIER -119.98 131.93 55.33 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 126.437 2.335 . . . . 0.0 106.174 176.077 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mp -109.5 141.68 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 127.689 3.118 . . . . 0.0 109.102 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.6 p -101.16 140.0 36.06 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 116.961 -1.896 . . . . 0.0 108.388 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 mt -126.63 153.92 44.69 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 115.501 -2.19 . . . . 0.0 108.343 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.7 121.09 44.18 Favored 'General case' 0 N--CA 1.496 1.848 1 O-C-N 129.249 4.093 . . . . 0.0 103.656 173.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.03 170.64 15.85 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 O-C-N 127.869 3.23 . . . . 0.0 111.237 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.01 144.58 37.9 Favored Pre-proline 0 C--N 1.312 -1.036 0 CA-C-N 112.1 -2.318 . . . . 0.0 106.339 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 24.8 Cg_endo -54.94 -24.65 40.31 Favored 'Trans proline' 0 C--N 1.317 -1.094 0 C-N-CA 122.691 2.26 . . . . 0.0 111.558 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.6 p -79.91 -8.19 59.18 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.931 -177.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.9 148.53 47.67 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 117.38 -1.728 . . . . 0.0 109.735 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.88 160.52 21.11 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 18.0 mm -61.44 -36.77 75.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 126.977 2.673 . . . . 0.0 110.329 175.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.18 -42.87 77.76 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 120.447 -1.408 . . . . 0.0 110.988 176.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.43 HD21 ' HG1' ' B' ' 22' ' ' THR . 17.0 m-80 -64.5 -44.52 90.68 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.247 1.019 . . . . 0.0 111.405 -179.06 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -46.3 90.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.86 1.35 . . . . 0.0 109.0 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -60.77 -37.92 83.49 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.826 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.99 86.57 Favored 'General case' 0 C--O 1.278 2.589 0 O-C-N 123.313 0.383 . . . . 0.0 111.309 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -64.01 -37.44 87.44 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 122.992 1.377 . . . . 0.0 110.859 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -39.73 78.45 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.96 -48.81 78.7 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 125.44 2.543 . . . . 0.0 109.041 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.37 -41.86 66.28 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.815 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.321 9.7 mtpt -93.45 -24.24 18.1 Favored 'General case' 0 C--O 1.281 2.732 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -123.68 -6.3 8.04 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 122.958 2.617 . . . . 0.0 113.785 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.59 90.02 Favored Glycine 0 CA--C 1.477 -2.308 0 N-CA-C 118.665 2.226 . . . . 0.0 118.665 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.474 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 36.4 mm -79.83 124.99 83.07 Favored Pre-proline 0 C--O 1.242 0.667 0 C-N-CA 118.749 -1.18 . . . . 0.0 111.044 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 80.5 Cg_exo -57.06 136.99 79.95 Favored 'Trans proline' 0 C--O 1.256 1.424 0 C-N-CA 122.944 2.43 . . . . 0.0 110.895 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.3 Cg_exo -57.26 -32.21 92.99 Favored 'Trans proline' 0 C--O 1.261 1.657 0 O-C-N 123.116 1.061 . . . . 0.0 113.367 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.17 -15.62 63.66 Favored 'General case' 0 C--O 1.264 1.831 0 O-C-N 119.973 -1.704 . . . . 0.0 112.27 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.8 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 6.9 mm-40 -95.47 -10.69 29.11 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.562 -1.337 . . . . 0.0 112.209 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -84.82 129.66 34.78 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 124.27 1.986 . . . . 0.0 115.755 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.413 ' HB2' HG13 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -121.22 116.24 24.53 Favored 'General case' 0 C--O 1.298 3.621 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 172.178 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.65 130.22 51.07 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.457 1.026 . . . . 0.0 109.977 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mm -121.99 131.57 72.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.063 1.477 . . . . 0.0 112.044 -177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.21 129.75 19.04 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.26 45.88 20.06 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 112.042 -2.344 . . . . 0.0 110.622 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.96 20.22 59.82 Favored Glycine 0 C--N 1.298 -1.562 0 C-N-CA 128.22 2.819 . . . . 0.0 117.324 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.91 143.91 39.16 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 115.385 -2.245 . . . . 0.0 110.908 174.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.419 ' CB ' ' HE2' ' C' ' 99' ' ' LYS . 0.9 OUTLIER -87.13 130.32 34.57 Favored 'General case' 0 C--N 1.28 -2.418 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 173.339 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.62 138.42 37.42 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.159 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -101.94 140.0 36.82 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 125.175 1.547 . . . . 0.0 109.884 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.606 ' O ' ' HG3' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -48.13 -42.14 28.45 Favored 'General case' 0 C--O 1.262 1.723 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -175.839 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.14 -8.67 85.19 Favored Glycine 0 CA--C 1.492 -1.353 0 N-CA-C 115.924 1.13 . . . . 0.0 115.924 -177.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -85.61 165.32 17.13 Favored 'General case' 0 C--O 1.251 1.146 0 O-C-N 120.15 -1.794 . . . . 0.0 108.069 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 76.8 p -104.4 164.52 11.68 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.703 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.5 OUTLIER -61.08 -36.31 79.3 Favored 'General case' 0 C--O 1.201 -1.452 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.213 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -29.65 70.81 Favored 'General case' 0 C--O 1.266 1.954 0 C-N-CA 117.267 -1.773 . . . . 0.0 112.167 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.7 -39.03 70.48 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.548 1.166 . . . . 0.0 110.755 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -91.07 4.44 52.13 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.63 -1.176 . . . . 0.0 112.903 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.6 t30 57.91 45.53 18.15 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 121.77 2.077 . . . . 0.0 111.229 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.703 ' CG2' ' O ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -88.88 116.25 30.14 Favored 'Isoleucine or valine' 0 C--O 1.27 2.142 0 CA-C-O 115.045 -2.407 . . . . 0.0 106.214 175.838 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.34 169.5 8.51 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 126.144 2.152 . . . . 0.0 109.693 -176.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 143.01 27.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.128 1.442 . . . . 0.0 109.283 -176.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 66.92 19.17 10.64 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.14 159.62 34.35 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -119.1 126.62 52.08 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 118.248 -0.882 . . . . 0.0 108.75 175.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.18 154.56 19.19 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 114.715 -2.564 . . . . 0.0 105.715 174.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -105.61 135.74 46.46 Favored 'General case' 0 C--N 1.283 -2.295 0 O-C-N 127.532 3.02 . . . . 0.0 105.751 177.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.06 115.88 30.95 Favored 'General case' 0 C--O 1.283 2.864 0 CA-C-O 117.626 -1.178 . . . . 0.0 111.424 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.413 HG13 ' HB2' ' B' ' 42' ' ' ARG . 5.5 p -108.2 139.85 28.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 N-CA-C 103.474 -2.788 . . . . 0.0 103.474 175.227 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.805 HD12 ' C ' ' B' ' 71' ' ' LEU . 0.6 OUTLIER -96.08 -83.43 0.37 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 121.164 0.507 . . . . 0.0 109.805 178.439 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.594 ' N ' ' HG ' ' B' ' 71' ' ' LEU . 0.5 OUTLIER 161.2 -65.15 0.0 OUTLIER 'General case' 0 C--N 1.278 -2.5 0 CA-C-O 113.449 -3.167 . . . . 0.0 105.466 -179.761 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 mt 61.77 70.25 0.6 Allowed 'General case' 0 C--N 1.294 -1.815 0 O-C-N 125.663 1.852 . . . . 0.0 109.674 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.71 109.94 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 113.829 -1.532 . . . . 0.0 108.67 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.9 151.56 21.38 Favored Glycine 0 C--O 1.245 0.801 0 CA-C-N 114.766 -1.106 . . . . 0.0 115.16 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.512 0 CA-C-O 116.497 -2.28 . . . . 0.0 108.336 178.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 122.037 0.922 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.65 177.28 5.52 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 119.065 -2.272 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -149.95 143.45 25.24 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 126.856 2.062 . . . . 0.0 110.661 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -89.05 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.558 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.412 ' HG ' ' CD2' ' C' ' 127' ' ' TYR . 0.1 OUTLIER -70.13 -39.69 75.28 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.669 0.747 . . . . 0.0 111.854 172.456 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.427 ' HB ' HG13 ' C' ' 49' ' ' ILE . 0.9 OUTLIER -144.36 136.14 21.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.178 1.391 . . . . 0.0 107.423 -178.193 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -144.34 148.03 34.23 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.59 165.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -161.0 155.25 23.0 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.239 0.962 . . . . 0.0 111.195 173.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.23 127.84 33.8 Favored 'General case' 0 C--O 1.254 1.329 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.32 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 28' ' ' ALA . . . . . 0.457 ' HB3' HG23 ' C' ' 47' ' ' VAL . . . -166.19 147.75 6.74 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.057 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.83 25.13 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 108.299 -1.92 . . . . 0.0 108.299 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -179.19 3.77 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 31' ' ' MET . . . . . 0.794 ' CE ' HG22 ' C' ' 38' ' ' VAL . 0.0 OUTLIER -137.17 161.03 37.27 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 174.662 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 32' ' ' SER . . . . . 0.577 ' N ' ' SD ' ' C' ' 31' ' ' MET . 4.7 t -136.64 156.52 48.44 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.039 -1.464 . . . . 0.0 108.773 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.67 116.17 28.77 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 177.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -112.35 115.85 29.41 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 172.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.03 14.52 18.39 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.928 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -111.99 122.45 47.8 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -172.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.794 HG22 ' CE ' ' C' ' 31' ' ' MET . 0.9 OUTLIER -76.04 120.02 25.18 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 174.691 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 41.7 p -124.08 119.39 26.55 Favored Pre-proline 0 C--O 1.244 0.815 0 C-N-CA 122.558 0.343 . . . . 0.0 110.165 -173.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -59.96 134.85 59.19 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 CA-C-O 122.35 0.896 . . . . 0.0 111.792 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.74 132.15 34.19 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.92 -11.3 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -67.01 144.43 56.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -173.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -68.13 125.57 26.8 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 171.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.18 21.61 Favored Glycine 0 C--N 1.316 -0.563 0 CA-C-O 123.169 1.427 . . . . 0.0 115.359 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 11.9 mt -128.39 124.46 36.37 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' C' ' 28' ' ' ALA . 94.5 t -90.93 137.48 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 164.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -151.91 157.75 42.24 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.964 0.888 . . . . 0.0 113.045 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.593 ' HB ' ' HD1' ' C' ' 127' ' ' TYR . 0.7 OUTLIER -118.79 131.1 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 113.575 -1.648 . . . . 0.0 108.33 174.864 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.64 44.81 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.332 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 51' ' ' GLN . . . . . 0.518 ' CB ' ' OH ' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -100.14 122.06 42.39 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 170.277 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 62.9 p -84.03 171.16 13.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.33 177.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.62 -10.39 59.7 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.659 -0.816 . . . . 0.0 113.187 -170.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -82.67 7.39 14.94 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.264 -0.174 . . . . 0.0 110.974 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.8 -1.26 3.12 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.474 1.509 . . . . 0.0 114.809 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.89 149.97 39.33 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.204 -0.999 . . . . 0.0 113.087 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.448 HG23 ' CZ ' ' C' ' 127' ' ' TYR . 7.1 mm -102.27 129.18 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.077 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 9.9 m80 -117.7 125.39 50.59 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -176.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 59' ' ' PHE . . . . . 0.443 ' CE2' HD12 ' C' ' 96' ' ' LEU . 25.8 t80 -98.87 118.97 36.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 171.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 60' ' ' CYS . . . . . 0.625 ' C ' ' CD1' ' C' ' 61' ' ' TRP . 2.7 m -127.65 156.89 41.61 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -171.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 61' ' ' TRP . . . . . 0.625 ' CD1' ' C ' ' C' ' 60' ' ' CYS . 0.0 OUTLIER -130.57 128.31 40.82 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 113.533 -1.667 . . . . 0.0 108.646 169.298 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -120.65 134.29 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.775 -176.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -74.22 115.39 13.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -64.08 -32.42 73.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 72.2 p -72.43 -46.23 55.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -175.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 28.6 t -91.44 -20.46 21.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.598 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.74 60.9 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.713 -0.493 . . . . 0.0 113.723 -171.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.47 129.99 39.63 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.656 1.228 . . . . 0.0 113.136 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 69' ' ' VAL . . . . . 0.401 HG12 ' H ' ' C' ' 69' ' ' VAL . 0.9 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.403 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -94.49 -28.9 15.21 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.924 -171.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 71' ' ' ASP . . . . . 0.606 ' HB3' ' CD2' ' C' ' 61' ' ' TRP . 7.4 t70 -121.99 135.55 54.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.837 0.827 . . . . 0.0 109.407 177.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -154.98 103.34 2.39 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 mt -118.05 123.23 45.14 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.295 -174.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 21.4 pt -75.87 124.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.391 1.091 . . . . 0.0 111.661 168.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.776 ' HB ' HD23 ' C' ' 128' ' ' LEU . 0.5 OUTLIER -122.97 130.35 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.615 -174.399 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -101.27 158.97 30.78 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.493 1.121 . . . . 0.0 110.89 173.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.22 133.91 58.01 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.962 2.441 . . . . 0.0 111.287 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.41 6.84 5.91 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -175.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.36 -33.64 71.69 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.061 0.846 . . . . 0.0 109.633 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.426 ' HA ' ' HG2' ' C' ' 99' ' ' LYS . 0.6 OUTLIER -154.91 168.16 27.87 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 118.489 -1.284 . . . . 0.0 113.699 -173.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 81' ' ' GLU . . . . . 0.456 ' HB2' ' HD2' ' C' ' 99' ' ' LYS . 9.0 tp10 -133.45 139.36 46.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.961 -178.11 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.438 ' HB3' ' CE1' ' C' ' 94' ' ' TYR . 1.4 m-85 -106.77 124.23 49.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 156.44 42.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -67.78 142.81 56.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.416 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 85' ' ' VAL . . . . . 0.708 ' HB ' HG13 ' C' ' 93' ' ' VAL . 3.5 t -94.17 98.25 2.77 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 171.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -60.97 -31.92 91.89 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 N-CA-C 117.809 2.196 . . . . 0.0 117.809 -167.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 25.5 mm100 -91.14 8.61 34.77 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 117.875 -1.53 . . . . 0.0 112.195 -164.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 88' ' ' CYS . . . . . 0.544 ' HB2' HG11 ' C' ' 93' ' ' VAL . 10.7 t -85.1 119.63 72.68 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.83 -19.95 33.67 Favored 'Trans proline' 0 C--N 1.346 0.395 0 O-C-N 123.049 1.026 . . . . 0.0 114.462 -173.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -65.51 -34.61 78.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.364 0.529 . . . . 0.0 110.073 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.04 64.88 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.563 -172.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -121.06 17.16 11.66 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 93' ' ' VAL . . . . . 0.708 HG13 ' HB ' ' C' ' 85' ' ' VAL . 2.5 p -97.08 133.48 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.224 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 173.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 94' ' ' TYR . . . . . 0.774 ' OH ' ' HB2' ' C' ' 96' ' ' LEU . 0.0 OUTLIER -125.09 151.74 45.28 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.56 1.788 . . . . 0.0 110.412 178.638 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 95' ' ' VAL . . . . . 0.648 ' N ' ' CD1' ' C' ' 94' ' ' TYR . 0.8 OUTLIER -126.95 135.28 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.225 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 96' ' ' LEU . . . . . 0.774 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 6.3 tt -95.34 108.22 20.38 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 169.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 97' ' ' LYS . . . . . 0.626 ' O ' ' HE3' ' C' ' 99' ' ' LYS . 7.7 mttt -109.3 125.19 52.05 Favored 'General case' 0 CA--C 1.484 -1.587 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -84.77 115.61 22.8 Favored 'General case' 0 C--O 1.241 0.646 0 O-C-N 124.011 0.819 . . . . 0.0 109.283 176.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 99' ' ' LYS . . . . . 0.626 ' HE3' ' O ' ' C' ' 97' ' ' LYS . 1.6 mmpt? -63.41 -25.13 68.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.395 -169.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.26 115.11 28.79 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 101' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.96 172.37 27.64 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -172.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 25.5 t -91.46 9.2 32.86 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.067 -0.667 . . . . 0.0 110.563 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -70.68 129.21 38.54 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.868 -1.533 . . . . 0.0 110.656 -165.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 104' ' ' ARG . . . . . 0.492 ' C ' HD22 ' C' ' 105' ' ' LEU . 0.0 OUTLIER -135.1 141.7 46.09 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.929 175.859 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 105' ' ' LEU . . . . . 0.492 HD22 ' C ' ' C' ' 104' ' ' ARG . 3.0 mm? -124.46 126.22 45.55 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 171.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 106' ' ' PHE . . . . . 0.748 ' HB2' ' HG2' ' C' ' 31' ' ' MET . 0.9 OUTLIER -100.89 143.69 30.74 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.76 1.287 . . . . 0.0 110.339 -177.55 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 107' ' ' PHE . . . . . 0.648 ' CD1' ' CE2' ' C' ' 94' ' ' TYR . 4.2 m-85 -137.09 156.72 48.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.307 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -131.47 126.53 35.27 Favored 'General case' 0 N--CA 1.419 -1.995 0 C-N-CA 119.586 -0.846 . . . . 0.0 110.4 175.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 18.2 mmt -62.66 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.205 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -118.92 3.98 11.49 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.64 -1.163 . . . . 0.0 110.315 179.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.24 135.91 93.79 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.118 1.437 . . . . 0.0 108.71 172.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.34 -41.36 42.19 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.58 -1.147 . . . . 0.0 112.33 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.12 146.93 24.25 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.459 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.3 m -83.48 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.125 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.62 -33.81 56.33 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -169.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.2 5.93 37.98 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -174.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -57.0 -48.77 77.67 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.225 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.78 -32.29 70.69 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.313 -0.955 . . . . 0.0 110.56 -173.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.23 -44.03 80.51 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -55.62 -45.83 77.46 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.025 -1.047 . . . . 0.0 112.322 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 121' ' ' CYS . . . . . 0.807 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 1.2 m -60.63 -43.07 97.94 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.689 0.756 . . . . 0.0 110.326 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.48 98.77 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.129 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -64.22 -42.38 96.6 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 124' ' ' VAL . . . . . 0.807 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 6.1 m -52.27 -51.9 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.457 175.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 125' ' ' ASN . . . . . 0.42 ' N ' HG23 ' C' ' 124' ' ' VAL . 0.5 OUTLIER -60.33 -39.49 87.24 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.771 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.29 -46.1 81.77 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.373 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 127' ' ' TYR . . . . . 0.593 ' HD1' ' HB ' ' C' ' 49' ' ' ILE . 11.4 t80 -79.04 -24.47 43.58 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.421 -0.912 . . . . 0.0 112.35 -174.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 1.026 HD22 ' O ' ' C' ' 128' ' ' LEU . 0.0 OUTLIER -78.97 -36.09 41.99 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.317 174.462 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 129' ' ' ASN . . . . . 0.839 ' N ' HD13 ' C' ' 128' ' ' LEU . 0.0 OUTLIER -110.8 -11.09 14.42 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -168.573 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -141.17 71.87 27.4 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 169.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.05 168.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.635 1.557 . . . . 0.0 111.584 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo . . . . . 0 C--N 1.29 -2.534 0 C-N-CA 122.566 2.177 . . . . 0.0 111.625 179.644 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 CA--C 1.549 0.92 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -91.05 138.16 31.81 Favored 'General case' 0 C--O 1.264 1.829 0 O-C-N 126.923 2.64 . . . . 0.0 108.933 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.793 HD11 HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -131.19 163.08 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 173.466 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.525 ' N ' HG23 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -115.95 140.25 49.43 Favored 'General case' 0 N--CA 1.515 2.779 1 O-C-N 130.671 4.982 . . . . 0.0 108.726 179.623 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.9 t -118.1 114.21 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.594 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 127.59 41.34 Favored 'General case' 0 N--CA 1.507 2.388 1 O-C-N 129.358 4.161 . . . . 0.0 107.925 -178.121 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 11' ' ' LYS . 9.0 t -99.61 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.85 -1.072 . . . . 0.0 109.402 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mt -73.41 -7.04 50.04 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.084 0.865 . . . . 0.0 112.638 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.56 ' H ' HG23 ' A' ' 7' ' ' THR . 0.8 OUTLIER -101.53 15.19 29.67 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.675 -2.41 . . . . 0.0 112.013 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.77 80.23 Favored Glycine 0 C--N 1.298 -1.562 0 O-C-N 120.262 -1.524 . . . . 0.0 116.098 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.669 ' O ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -96.55 138.06 34.69 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 174.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -119.95 131.64 55.25 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.655 2.472 . . . . 0.0 105.964 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.55 141.98 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 127.546 3.029 . . . . 0.0 108.912 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 t -101.49 139.8 36.65 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 117.114 -1.835 . . . . 0.0 108.118 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.79 HD12 ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -126.51 154.01 44.37 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 115.392 -2.242 . . . . 0.0 108.261 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -111.88 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.952 1 O-C-N 129.286 4.116 . . . . 0.0 103.687 173.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -138.94 170.61 15.98 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 O-C-N 127.614 3.071 . . . . 0.0 111.267 -177.873 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 17' ' ' VAL . 8.1 mm-40 -119.91 144.51 37.57 Favored Pre-proline 0 C--N 1.315 -0.93 0 CA-C-N 112.4 -2.182 . . . . 0.0 106.371 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -54.98 -24.37 39.3 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.6 2.2 . . . . 0.0 111.968 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -8.18 59.19 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.931 -177.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.0 148.35 47.72 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 117.404 -1.718 . . . . 0.0 109.851 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.66 160.47 21.34 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 175.752 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.655 HD13 ' O ' ' A' ' 51' ' ' GLU . 1.8 mt -61.42 -37.05 76.84 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 O-C-N 127.158 2.786 . . . . 0.0 110.224 175.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -40.15 78.49 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.273 -0.892 . . . . 0.0 110.729 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.34 -41.9 80.07 Favored 'General case' 0 C--O 1.262 1.724 0 O-C-N 121.955 -0.466 . . . . 0.0 110.964 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -46.4 88.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 124.445 1.091 . . . . 0.0 109.234 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -60.9 -37.87 83.73 Favored 'General case' 0 C--O 1.258 1.503 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.711 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.02 86.93 Favored 'General case' 0 C--O 1.278 2.555 0 CA-C-N 118.14 0.427 . . . . 0.0 111.107 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.79 ' HG2' HD12 ' A' ' 15' ' ' LEU . 3.8 tptt -64.22 -37.37 87.21 Favored 'General case' 0 C--O 1.254 1.321 0 O-C-N 120.391 -1.443 . . . . 0.0 110.738 176.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.9 mt -70.07 -39.54 77.33 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -48.74 78.65 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 125.524 2.583 . . . . 0.0 109.13 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -41.79 65.6 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 113.461 -1.699 . . . . 0.0 111.881 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 22.6 tttm -93.65 -24.14 17.99 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -175.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -123.43 -6.47 8.17 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.072 2.669 . . . . 0.0 114.258 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.61 90.01 Favored Glycine 0 CA--C 1.478 -2.264 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.483 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 31.7 mm -79.78 124.74 83.28 Favored Pre-proline 0 C--O 1.244 0.768 0 C-N-CA 118.839 -1.144 . . . . 0.0 110.93 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.6 Cg_exo -56.96 136.8 78.78 Favored 'Trans proline' 0 C--O 1.259 1.528 0 C-N-CA 123.208 2.605 . . . . 0.0 110.846 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -57.09 -31.94 91.82 Favored 'Trans proline' 0 C--O 1.262 1.709 0 O-C-N 122.975 0.987 . . . . 0.0 113.674 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.39 -15.41 63.54 Favored 'General case' 0 C--O 1.263 1.784 0 O-C-N 119.938 -1.726 . . . . 0.0 112.263 -177.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -96.01 -10.23 29.06 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 120.544 -1.348 . . . . 0.0 112.064 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -84.85 129.61 34.79 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 124.39 2.043 . . . . 0.0 115.745 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.08 116.08 24.34 Favored 'General case' 0 C--O 1.299 3.663 0 N-CA-C 104.998 -2.223 . . . . 0.0 104.998 171.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.57 130.18 50.93 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 119.436 1.016 . . . . 0.0 109.883 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.497 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -122.02 131.87 72.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.125 1.516 . . . . 0.0 111.877 -177.559 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -144.38 129.55 18.67 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 46.05 19.82 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 112.207 -2.269 . . . . 0.0 110.746 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.72 60.99 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.614 3.007 . . . . 0.0 117.468 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.12 142.8 46.15 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 177.693 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.82 130.3 34.59 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 103.795 -2.668 . . . . 0.0 103.795 174.599 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HB3' HG12 ' A' ' 23' ' ' ILE . 3.8 mt -79.53 138.09 37.39 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.213 -175.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.655 ' O ' HD13 ' A' ' 23' ' ' ILE . 52.3 mm-40 -101.74 140.05 36.56 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 125.16 1.537 . . . . 0.0 109.907 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -47.92 -42.52 27.41 Favored 'General case' 0 C--O 1.263 1.802 0 N-CA-C 120.762 3.616 . . . . 0.0 120.762 -175.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.65 -8.99 85.3 Favored Glycine 0 CA--C 1.491 -1.44 0 N-CA-C 116.183 1.233 . . . . 0.0 116.183 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' O ' HD12 ' A' ' 23' ' ' ILE . 3.1 mmt85 -85.37 165.42 17.25 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.751 -2.029 . . . . 0.0 108.007 176.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 29.2 p -104.54 164.91 11.42 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 177.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -36.09 79.67 Favored 'General case' 0 C--O 1.202 -1.435 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -29.55 70.68 Favored 'General case' 0 C--O 1.267 1.992 0 C-N-CA 117.366 -1.734 . . . . 0.0 112.197 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -55.52 -39.56 70.67 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 122.416 1.103 . . . . 0.0 110.698 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -90.74 4.55 51.27 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 117.712 -1.137 . . . . 0.0 113.011 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 58.11 45.25 17.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 121.596 1.998 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.793 HG22 HD11 ' A' ' 3' ' ' ILE . 7.9 mt -88.79 116.64 30.76 Favored 'Isoleucine or valine' 0 C--O 1.266 1.935 0 CA-C-O 115.185 -2.341 . . . . 0.0 106.144 175.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.438 ' HB2' HD12 ' B' ' 73' ' ' LEU . 26.1 mt-30 -103.61 169.66 8.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 126.148 2.155 . . . . 0.0 109.381 -176.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.93 27.66 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.238 1.494 . . . . 0.0 109.014 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.09 19.06 10.51 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 117.963 2.579 . . . . 0.0 117.963 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.506 ' HA ' HD23 ' B' ' 73' ' ' LEU . 3.9 m -71.13 159.6 34.39 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 174.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.474 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.9 OUTLIER -119.14 126.75 52.33 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 118.128 -0.939 . . . . 0.0 108.836 175.795 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -103.2 154.62 19.14 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.821 -2.514 . . . . 0.0 105.62 175.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.408 ' O ' HG23 ' A' ' 44' ' ' ILE . 7.7 t60 -105.66 135.73 46.54 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 127.385 2.928 . . . . 0.0 105.833 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.86 115.74 30.71 Favored 'General case' 0 C--O 1.286 2.992 0 CA-C-O 117.641 -1.171 . . . . 0.0 111.496 176.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.8 t -108.08 139.94 28.39 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.07 138.85 33.1 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.309 0.576 . . . . 0.0 109.824 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -61.12 145.25 51.66 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-O 113.134 -3.317 . . . . 0.0 105.625 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.77 147.93 26.25 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 125.881 1.988 . . . . 0.0 109.54 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.75 -39.95 71.87 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 113.662 -1.608 . . . . 0.0 108.848 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.76 61.55 4.63 Favored Glycine 0 C--O 1.247 0.942 0 CA-C-N 114.585 -1.189 . . . . 0.0 115.019 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.462 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 179.412 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -90.9 138.42 31.61 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 127.102 2.751 . . . . 0.0 108.828 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -131.09 163.09 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 CA-C-O 115.787 -2.054 . . . . 0.0 105.92 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -115.94 140.11 49.57 Favored 'General case' 0 N--CA 1.515 2.811 1 O-C-N 130.65 4.969 . . . . 0.0 108.58 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.1 t -117.9 114.11 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 CA-C-O 113.364 -3.207 . . . . 0.0 105.864 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.16 127.61 41.34 Favored 'General case' 0 N--CA 1.503 2.178 1 O-C-N 129.26 4.1 . . . . 0.0 108.13 -178.054 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.57 170.9 8.27 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.267 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.566 HD21 ' HA ' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -73.4 -6.99 49.76 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 124.12 0.887 . . . . 0.0 112.895 -178.306 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -101.2 14.71 31.1 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 115.693 -2.403 . . . . 0.0 111.924 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.51 16.72 79.99 Favored Glycine 0 C--N 1.295 -1.708 0 O-C-N 120.235 -1.541 . . . . 0.0 116.01 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -96.34 137.96 34.65 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.91 132.01 55.4 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 126.439 2.337 . . . . 0.0 106.154 176.136 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.408 HD13 HG21 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -109.54 141.79 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 127.764 3.165 . . . . 0.0 109.113 179.764 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -101.21 139.85 36.32 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 117.026 -1.869 . . . . 0.0 108.37 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -126.46 154.14 44.11 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 115.554 -2.165 . . . . 0.0 108.354 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -111.86 121.17 44.33 Favored 'General case' 0 N--CA 1.496 1.858 1 O-C-N 129.196 4.06 . . . . 0.0 103.511 174.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.4 m -139.07 170.69 15.74 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 O-C-N 127.815 3.197 . . . . 0.0 111.184 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.1 144.64 38.19 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.05 -2.341 . . . . 0.0 106.332 174.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.0 -24.75 41.2 Favored 'Trans proline' 0 C--N 1.317 -1.11 0 C-N-CA 122.636 2.224 . . . . 0.0 111.52 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 25.1 t -79.87 -8.07 59.09 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.91 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -71.05 148.52 47.47 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 117.366 -1.734 . . . . 0.0 109.707 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.8 160.58 21.18 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 175.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.662 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.4 mp -61.45 -36.87 75.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 O-C-N 126.925 2.641 . . . . 0.0 110.462 175.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.11 -42.83 77.46 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.468 -1.395 . . . . 0.0 111.017 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.61 -44.49 90.41 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 124.224 1.009 . . . . 0.0 111.329 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -58.69 -46.16 90.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 124.831 1.332 . . . . 0.0 108.945 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -60.81 -37.92 83.63 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.856 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.07 86.91 Favored 'General case' 0 C--O 1.278 2.555 0 O-C-N 123.365 0.416 . . . . 0.0 111.302 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -64.01 -37.38 87.21 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 120.485 -1.384 . . . . 0.0 110.843 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.72 -39.77 78.42 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -61.94 -48.77 78.92 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.614 2.626 . . . . 0.0 109.044 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -41.71 66.59 Favored 'General case' 0 C--O 1.257 1.452 0 CA-C-N 113.613 -1.631 . . . . 0.0 111.866 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 21.5 tttt -93.35 -24.43 18.1 Favored 'General case' 0 C--O 1.28 2.684 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -175.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.65 -6.24 8.06 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 122.986 2.63 . . . . 0.0 113.8 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.58 90.06 Favored Glycine 0 CA--C 1.476 -2.391 0 N-CA-C 118.817 2.287 . . . . 0.0 118.817 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.629 HG23 ' CD ' ' B' ' 40' ' ' GLN . 1.3 mp -79.83 125.09 82.88 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 118.674 -1.21 . . . . 0.0 111.016 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.517 ' HD2' ' NE2' ' B' ' 40' ' ' GLN . 82.8 Cg_exo -57.23 137.07 80.06 Favored 'Trans proline' 0 C--O 1.255 1.371 0 C-N-CA 122.959 2.439 . . . . 0.0 110.86 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.4 Cg_exo -57.27 -32.21 93.03 Favored 'Trans proline' 0 C--O 1.262 1.69 0 O-C-N 123.056 1.029 . . . . 0.0 113.343 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -68.29 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 120.002 -1.686 . . . . 0.0 112.244 -177.526 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.643 ' HB2' HD21 ' B' ' 71' ' ' LEU . 0.7 OUTLIER -95.54 -10.56 29.32 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.571 -1.331 . . . . 0.0 112.305 178.399 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -84.92 129.69 34.76 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 124.259 1.98 . . . . 0.0 115.763 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.608 ' HB3' HG13 ' B' ' 70' ' ' VAL . 3.9 tpm_? -121.17 116.26 24.61 Favored 'General case' 0 C--O 1.298 3.657 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 172.206 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.67 130.25 51.12 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 119.432 1.015 . . . . 0.0 110.077 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.409 HD11 ' O ' ' C' ' 99' ' ' LYS . 1.8 mm -122.02 131.53 72.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 O-C-N 125.088 1.493 . . . . 0.0 112.002 -177.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.439 ' CD2' HD12 ' B' ' 67' ' ' LEU . 16.2 t80 -144.18 129.78 19.1 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 45.91 19.8 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 112.052 -2.34 . . . . 0.0 110.719 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.93 20.19 59.73 Favored Glycine 0 C--N 1.3 -1.456 0 C-N-CA 128.249 2.833 . . . . 0.0 117.315 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -109.87 143.86 39.18 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 115.425 -2.226 . . . . 0.0 110.877 174.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' B' ' 50' ' ' LEU . 0.8 OUTLIER -87.18 130.32 34.59 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 104.045 -2.576 . . . . 0.0 104.045 173.238 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.427 ' O ' ' NE2' ' B' ' 49' ' ' GLN . 7.0 mt -79.54 138.4 37.48 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 117.602 -1.189 . . . . 0.0 110.11 -175.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.662 ' O ' HD13 ' B' ' 23' ' ' ILE . 4.8 tt0 -101.89 139.98 36.79 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 125.261 1.6 . . . . 0.0 109.948 -177.632 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -42.04 29.24 Favored 'General case' 0 C--O 1.263 1.781 0 N-CA-C 120.768 3.618 . . . . 0.0 120.768 -175.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.19 -8.56 85.25 Favored Glycine 0 CA--C 1.492 -1.352 0 N-CA-C 116.019 1.168 . . . . 0.0 116.019 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.579 ' O ' HD12 ' B' ' 23' ' ' ILE . 2.6 mmt85 -85.68 165.24 17.14 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.091 -1.829 . . . . 0.0 107.932 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.2 p -104.27 164.49 11.69 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 176.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.09 -36.4 79.58 Favored 'General case' 0 C--O 1.2 -1.501 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -63.59 -29.81 71.01 Favored 'General case' 0 C--O 1.266 1.962 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.265 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.55 -39.17 70.25 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.633 1.206 . . . . 0.0 110.824 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -91.05 4.5 51.95 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 117.598 -1.192 . . . . 0.0 112.92 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 t30 57.97 45.37 18.22 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 121.673 2.033 . . . . 0.0 111.232 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -88.75 116.26 30.09 Favored 'Isoleucine or valine' 0 C--O 1.27 2.152 0 CA-C-O 115.063 -2.399 . . . . 0.0 106.237 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.39 169.54 8.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 126.106 2.129 . . . . 0.0 109.768 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -54.91 142.95 27.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 123.221 1.486 . . . . 0.0 109.249 -176.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 67.04 19.08 10.56 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.03 159.56 34.52 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.9 m -118.97 126.6 52.13 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 118.229 -0.891 . . . . 0.0 108.817 175.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.439 HD12 ' CD2' ' B' ' 45' ' ' PHE . 5.4 mp -103.2 154.55 19.21 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 114.69 -2.576 . . . . 0.0 105.721 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -105.66 135.71 46.59 Favored 'General case' 0 C--N 1.283 -2.313 0 O-C-N 127.54 3.025 . . . . 0.0 105.677 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.11 115.85 30.89 Favored 'General case' 0 C--O 1.284 2.887 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.428 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.608 HG13 ' HB3' ' B' ' 42' ' ' ARG . 0.2 OUTLIER -108.12 140.0 28.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 103.404 -2.813 . . . . 0.0 103.404 175.264 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.649 ' C ' HD23 ' B' ' 71' ' ' LEU . 3.3 tt -96.15 -83.61 0.37 Allowed 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.132 0.492 . . . . 0.0 109.743 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER 158.12 144.08 0.01 OUTLIER 'General case' 0 C--N 1.278 -2.542 0 CA-C-O 113.473 -3.156 . . . . 0.0 105.43 179.762 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 73' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 65' ' ' SER . 2.6 mm? -120.8 -57.58 1.88 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 125.647 1.842 . . . . 0.0 109.666 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 169.94 157.65 0.06 Allowed 'General case' 0 C--O 1.243 0.716 0 CA-C-N 113.898 -1.501 . . . . 0.0 108.679 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.09 -157.47 29.95 Favored Glycine 0 C--O 1.243 0.699 0 CA-C-N 114.849 -1.069 . . . . 0.0 115.217 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.443 0 CA-C-O 116.639 -2.201 . . . . 0.0 108.341 179.149 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 121.935 0.874 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -79.14 -62.56 1.66 Allowed 'General case' 0 C--N 1.29 -2.012 0 O-C-N 119.073 -2.267 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -59.87 3.76 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 126.762 2.025 . . . . 0.0 110.726 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -89.02 137.86 31.93 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.591 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' C' ' 127' ' ' TYR . 4.6 mt -70.18 -39.6 75.15 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.646 0.736 . . . . 0.0 111.833 172.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 t -144.34 136.07 21.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.246 1.418 . . . . 0.0 107.483 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.36 148.0 34.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.527 165.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -161.01 155.2 22.89 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.296 0.997 . . . . 0.0 111.213 173.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -72.21 127.79 33.66 Favored 'General case' 0 C--O 1.254 1.329 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.365 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.15 147.66 6.77 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.126 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.97 164.82 25.16 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 -179.16 3.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 31' ' ' MET . . . . . 0.727 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.1 mpt? -137.15 161.08 37.13 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -136.68 156.58 48.35 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 118.045 -1.462 . . . . 0.0 108.773 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.24 -116.0 8.56 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.06 14.57 18.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.394 -0.403 . . . . 0.0 109.914 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 54.5 m -112.05 122.53 48.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 12.9 t -76.13 120.06 25.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.13 119.37 26.49 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.147 -173.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 40' ' ' PRO . . . . . 0.727 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 31.8 Cg_exo -59.92 134.79 58.95 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 117.937 -0.909 . . . . 0.0 111.907 173.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -85.7 132.2 34.19 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 172.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -11.33 59.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -172.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -67.0 144.44 56.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -173.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 125.58 26.83 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 171.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 45' ' ' GLY . . . . . 0.447 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.34 171.24 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.205 1.447 . . . . 0.0 115.321 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.43 124.4 36.14 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 175.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 t -91.04 137.56 21.48 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.095 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 164.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -151.88 157.84 42.4 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 122.025 0.917 . . . . 0.0 113.009 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 16.2 mt -118.87 131.01 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.396 174.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.97 137.6 44.91 Favored 'General case' 0 CA--C 1.495 -1.137 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -178.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -100.18 122.04 42.38 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 170.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 8.7 p -84.05 171.11 13.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.235 0.54 . . . . 0.0 111.314 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -71.46 -10.54 59.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -170.29 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -82.68 7.41 14.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.43 0.157 . . . . 0.0 110.99 171.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p 73.83 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.483 1.513 . . . . 0.0 114.684 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 56' ' ' LEU . . . . . 0.702 ' HB3' HD13 ' C' ' 74' ' ' ILE . 17.6 mt -74.89 149.9 39.35 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 119.216 -0.994 . . . . 0.0 113.107 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.58 ' O ' HD12 ' C' ' 74' ' ' ILE . 5.8 mm -102.2 129.08 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.122 -177.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.59 125.3 50.54 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -176.515 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -98.8 118.95 36.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 171.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 92.9 m -127.59 156.84 41.62 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 113.577 0.955 . . . . 0.0 113.577 -171.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 61' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.53 128.32 40.9 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.668 169.241 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.66 134.34 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.745 -176.313 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -74.23 115.27 13.54 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -63.96 -32.46 74.0 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -176.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -46.26 55.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -175.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.37 -20.52 21.74 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.536 -176.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.57 2.65 60.71 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.721 -0.489 . . . . 0.0 113.74 -171.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -72.44 130.0 39.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.734 1.267 . . . . 0.0 113.195 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 99.4 t -84.17 109.11 17.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -94.45 -28.91 15.23 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.736 -0.786 . . . . 0.0 111.01 -171.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.02 135.53 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.877 0.846 . . . . 0.0 109.386 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.96 103.38 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.11 123.26 45.15 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.282 -174.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 74' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' C' ' 56' ' ' LEU . 1.3 tp -75.83 124.29 33.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.441 1.115 . . . . 0.0 111.694 168.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.614 HG21 ' HG ' ' C' ' 128' ' ' LEU . 1.0 OUTLIER -122.93 130.33 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.365 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.641 -174.409 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.29 158.99 30.73 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.441 1.088 . . . . 0.0 110.89 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.22 133.85 57.69 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.91 2.407 . . . . 0.0 111.334 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.43 6.91 5.94 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 79' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 44' ' ' ILE . 1.2 m-20 -70.45 -33.61 71.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.028 0.831 . . . . 0.0 109.563 176.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 23.3 p -154.88 168.16 27.85 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.54 -1.264 . . . . 0.0 113.699 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -133.49 139.29 46.58 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.954 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -106.67 124.21 49.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.6 156.39 42.34 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -177.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -67.67 142.87 56.23 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.416 177.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 77.0 t -94.37 98.37 2.94 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 171.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -61.04 -31.88 91.47 Favored 'Trans proline' 0 N--CA 1.476 0.49 0 N-CA-C 117.853 2.213 . . . . 0.0 117.853 -167.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -91.12 8.6 34.8 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.933 -1.507 . . . . 0.0 112.203 -164.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 24.2 m -85.07 119.62 72.7 Favored Pre-proline 0 CA--C 1.516 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.94 -19.85 33.95 Favored 'Trans proline' 0 C--N 1.347 0.462 0 O-C-N 123.01 1.005 . . . . 0.0 114.451 -173.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 85.7 p -65.53 -34.62 78.68 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.394 0.543 . . . . 0.0 110.07 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.0 64.83 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.563 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -120.98 17.08 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -96.92 133.42 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 173.546 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -125.03 151.8 45.11 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 125.56 1.788 . . . . 0.0 110.381 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.08 135.4 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -95.44 108.1 20.29 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 169.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.2 125.19 51.96 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -171.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.81 115.68 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.182 0.926 . . . . 0.0 109.205 176.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 99' ' ' LYS . . . . . 0.409 ' O ' HD11 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.39 -25.21 68.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.371 -169.61 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.23 115.17 28.91 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 101' ' ' GLY . . . . . 0.475 ' H ' HG21 ' B' ' 70' ' ' VAL . . . 101.86 172.46 27.78 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -172.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.3 p -91.37 8.94 33.73 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.99 -0.712 . . . . 0.0 110.55 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -70.66 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.01 141.83 46.29 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.946 175.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.62 126.2 45.38 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 171.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 106' ' ' PHE . . . . . 0.427 ' CB ' ' SD ' ' C' ' 31' ' ' MET . 75.4 m-85 -100.92 143.74 30.71 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 124.698 1.249 . . . . 0.0 110.301 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -137.12 156.69 48.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.203 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.4 126.58 35.52 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.41 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.58 137.72 58.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.259 -174.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -118.86 3.99 11.53 Favored 'General case' 0 N--CA 1.429 -1.519 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.289 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -61.22 135.88 93.74 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.128 1.442 . . . . 0.0 108.655 172.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -61.28 -41.33 42.87 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.604 -1.13 . . . . 0.0 112.466 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -96.18 146.96 24.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.475 173.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.0 t -83.47 -9.28 59.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.131 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.53 -33.82 55.92 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 5.99 37.78 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -174.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -56.96 -48.78 77.53 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 118.955 -1.098 . . . . 0.0 110.327 -177.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -69.76 -32.25 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.43 -0.908 . . . . 0.0 110.576 -173.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -44.1 79.99 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.923 0.392 . . . . 0.0 110.885 175.509 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -55.49 -45.93 76.98 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.021 -1.05 . . . . 0.0 112.37 173.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.56 -43.1 97.65 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.63 0.729 . . . . 0.0 110.293 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -62.01 -43.37 98.98 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.101 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -42.28 96.49 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 40.8 t -52.27 -51.94 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.448 175.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.33 -39.5 87.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.21 -46.1 82.05 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.51 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 127' ' ' TYR . . . . . 0.496 ' CE1' HD22 ' C' ' 23' ' ' LEU . 41.1 m-85 -78.95 -24.4 43.94 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 119.495 -0.882 . . . . 0.0 112.44 -174.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.614 ' HG ' HG21 ' C' ' 75' ' ' ILE . 7.1 mp -79.09 -36.17 41.2 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 119.782 -0.767 . . . . 0.0 112.245 174.473 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -110.71 -11.11 14.44 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -168.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -141.17 71.95 27.34 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 169.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -81.31 170.43 14.78 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 121.594 1.53 . . . . 0.0 111.624 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo . . . . . 0 C--N 1.29 -2.524 0 C-N-CA 122.431 2.087 . . . . 0.0 111.636 179.866 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtp . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 106.868 -1.531 . . . . 0.0 106.868 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -91.21 138.22 31.76 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 126.875 2.609 . . . . 0.0 108.767 178.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.523 HG23 ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.24 163.01 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.398 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.462 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.523 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -115.91 140.26 49.42 Favored 'General case' 0 N--CA 1.514 2.743 1 O-C-N 130.605 4.941 . . . . 0.0 108.81 179.602 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.11 114.17 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-O 113.399 -3.191 . . . . 0.0 105.601 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.18 127.57 41.33 Favored 'General case' 0 N--CA 1.507 2.379 1 O-C-N 129.371 4.169 . . . . 0.0 107.922 -178.123 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.59 170.82 8.33 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.358 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.422 HD11 HG23 ' A' ' 70' ' ' VAL . 60.9 mt -73.37 -7.01 49.86 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.057 0.848 . . . . 0.0 112.708 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.8 p -101.53 15.12 29.87 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 115.673 -2.411 . . . . 0.0 112.048 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.25 16.72 80.26 Favored Glycine 0 C--N 1.298 -1.567 0 O-C-N 120.222 -1.548 . . . . 0.0 116.146 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.5 138.1 34.59 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 175.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.9 131.72 55.32 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 126.605 2.441 . . . . 0.0 105.895 176.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.451 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -109.59 141.91 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 127.666 3.104 . . . . 0.0 108.851 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 t -101.45 139.65 36.82 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.144 -1.822 . . . . 0.0 108.184 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.34 153.99 44.13 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 115.329 -2.272 . . . . 0.0 108.394 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.82 121.13 44.22 Favored 'General case' 0 N--CA 1.498 1.974 1 O-C-N 129.252 4.095 . . . . 0.0 103.666 173.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.06 170.55 15.94 Favored 'Isoleucine or valine' 0 C--O 1.255 1.379 0 O-C-N 127.568 3.042 . . . . 0.0 111.203 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -119.92 144.49 37.54 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 112.382 -2.19 . . . . 0.0 106.355 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -54.96 -24.31 38.85 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 122.476 2.117 . . . . 0.0 111.973 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 p -80.04 -8.09 59.19 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 117.949 -1.025 . . . . 0.0 110.862 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.08 148.43 47.5 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 117.393 -1.723 . . . . 0.0 109.851 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.76 160.58 21.22 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.82 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 22.7 mm -61.6 -36.95 76.59 Favored 'Isoleucine or valine' 0 C--O 1.246 0.897 0 O-C-N 127.265 2.853 . . . . 0.0 110.244 175.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.56 -40.18 78.34 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.297 -0.877 . . . . 0.0 110.783 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.33 -41.92 80.07 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 121.847 -0.533 . . . . 0.0 110.939 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.2 -46.44 88.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.377 1.048 . . . . 0.0 109.148 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -60.82 -37.91 83.63 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.726 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.95 86.53 Favored 'General case' 0 C--O 1.277 2.538 0 CA-C-N 118.088 0.404 . . . . 0.0 111.104 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -37.55 87.84 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 120.375 -1.453 . . . . 0.0 110.716 175.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.7 mt -69.94 -39.57 77.67 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -48.76 78.54 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 125.551 2.596 . . . . 0.0 109.112 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -41.75 65.32 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 113.46 -1.7 . . . . 0.0 111.987 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.451 ' HD3' HD12 ' A' ' 13' ' ' ILE 0.315 0.8 OUTLIER -93.65 -24.25 17.96 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.172 2.286 . . . . 0.0 117.172 -175.857 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -123.42 -6.42 8.18 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 123.082 2.674 . . . . 0.0 114.209 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.06 5.72 89.94 Favored Glycine 0 CA--C 1.478 -2.236 0 N-CA-C 118.87 2.308 . . . . 0.0 118.87 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.486 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 3.3 mt -79.84 124.66 83.21 Favored Pre-proline 0 C--O 1.244 0.77 0 C-N-CA 118.93 -1.108 . . . . 0.0 110.947 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.7 Cg_exo -56.9 136.75 78.38 Favored 'Trans proline' 0 C--O 1.259 1.525 0 C-N-CA 123.369 2.713 . . . . 0.0 110.809 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -57.1 -31.95 91.84 Favored 'Trans proline' 0 C--O 1.263 1.729 0 O-C-N 123.013 1.007 . . . . 0.0 113.686 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.44 -15.33 63.51 Favored 'General case' 0 C--O 1.261 1.698 0 O-C-N 119.828 -1.795 . . . . 0.0 112.288 -177.512 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -96.08 -10.08 29.26 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 120.566 -1.334 . . . . 0.0 111.987 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -84.99 129.64 34.76 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.429 2.061 . . . . 0.0 115.735 -177.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.463 ' HB2' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -121.15 116.06 24.24 Favored 'General case' 0 C--O 1.3 3.744 0 N-CA-C 104.943 -2.243 . . . . 0.0 104.943 172.041 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -103.51 130.21 50.84 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 119.545 1.066 . . . . 0.0 109.934 -177.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.421 HD11 ' CB ' ' C' ' 76' ' ' PHE . 0.5 OUTLIER -122.07 131.85 72.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 O-C-N 125.13 1.519 . . . . 0.0 111.934 -177.548 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -144.39 129.46 18.57 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.33 46.01 20.28 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.73 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 21.82 60.87 Favored Glycine 0 N--CA 1.431 -1.664 0 C-N-CA 128.729 3.062 . . . . 0.0 117.48 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -115.11 142.73 46.26 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -85.67 130.3 34.6 Favored 'General case' 0 C--O 1.258 1.504 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.53 138.06 37.38 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 117.728 -1.129 . . . . 0.0 110.201 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -101.69 140.13 36.4 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 125.06 1.475 . . . . 0.0 110.005 -177.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.414 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 23.5 m-20 -48.05 -42.49 28.64 Favored 'General case' 0 C--O 1.263 1.813 0 N-CA-C 120.779 3.622 . . . . 0.0 120.779 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.84 85.5 Favored Glycine 0 CA--C 1.489 -1.543 0 N-CA-C 116.278 1.271 . . . . 0.0 116.278 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.47 165.27 17.29 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 119.808 -1.995 . . . . 0.0 108.08 176.448 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 1.0 OUTLIER -104.46 164.84 11.46 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 177.102 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.451 HD23 HD13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -61.55 -35.97 79.3 Favored 'General case' 0 C--O 1.202 -1.439 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 177.248 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.29 70.37 Favored 'General case' 0 C--O 1.268 2.061 0 C-N-CA 117.222 -1.791 . . . . 0.0 112.154 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.62 -39.47 70.84 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 122.504 1.145 . . . . 0.0 110.678 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -90.85 4.68 51.12 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.974 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 58.07 45.24 18.1 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.667 2.03 . . . . 0.0 111.168 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.451 HD13 HD23 ' A' ' 56' ' ' LEU . 22.4 mt -88.75 116.52 30.54 Favored 'Isoleucine or valine' 0 C--O 1.267 1.98 0 CA-C-O 115.182 -2.342 . . . . 0.0 106.192 175.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.54 169.66 8.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 126.051 2.094 . . . . 0.0 109.354 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.83 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 123.199 1.476 . . . . 0.0 109.148 -176.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.557 ' O ' HD12 ' B' ' 8' ' ' LEU . 0.0 OUTLIER 67.02 19.21 10.57 Favored 'General case' 0 C--O 1.254 1.328 0 N-CA-C 118.045 2.609 . . . . 0.0 118.045 179.428 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -71.3 159.53 34.42 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.525 ' OG1' HD22 ' B' ' 8' ' ' LEU . 0.8 OUTLIER -119.12 126.69 52.21 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 118.112 -0.947 . . . . 0.0 108.868 175.832 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.16 154.49 19.25 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 114.813 -2.518 . . . . 0.0 105.657 175.255 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -105.63 135.65 46.65 Favored 'General case' 0 C--N 1.288 -2.105 0 O-C-N 127.334 2.897 . . . . 0.0 105.84 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.82 115.81 30.83 Favored 'General case' 0 C--O 1.285 2.958 0 CA-C-O 117.579 -1.2 . . . . 0.0 111.445 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.463 HG13 ' HB2' ' A' ' 42' ' ' ARG . 3.8 p -108.07 139.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 174.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.3 mt -96.11 138.93 33.02 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.279 0.562 . . . . 0.0 109.816 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -56.38 107.04 0.33 Allowed 'General case' 0 C--N 1.279 -2.49 0 CA-C-O 113.187 -3.292 . . . . 0.0 105.502 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.1 tp 59.65 94.24 0.03 OUTLIER 'General case' 0 C--N 1.29 -1.981 0 O-C-N 125.867 1.979 . . . . 0.0 109.63 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -51.39 -76.2 0.03 OUTLIER 'General case' 0 C--O 1.245 0.838 0 CA-C-N 113.659 -1.61 . . . . 0.0 108.867 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.24 -40.41 2.25 Favored Glycine 0 C--O 1.247 0.95 0 CA-C-N 114.474 -1.239 . . . . 0.0 115.025 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.469 0 N-CA-C 108.262 -1.935 . . . . 0.0 108.262 179.491 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.99 138.39 31.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 127.167 2.792 . . . . 0.0 108.836 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.05 163.07 37.97 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 CA-C-O 115.854 -2.022 . . . . 0.0 105.836 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -115.98 140.13 49.56 Favored 'General case' 0 N--CA 1.513 2.715 1 O-C-N 130.527 4.892 . . . . 0.0 108.652 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -117.96 114.07 44.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-O 113.483 -3.151 . . . . 0.0 105.736 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LYS . . . . . 0.46 ' HZ3' HD23 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -95.06 127.61 41.25 Favored 'General case' 0 N--CA 1.502 2.151 1 O-C-N 129.18 4.05 . . . . 0.0 108.125 -178.141 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.54 170.81 8.34 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.772 -1.109 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -73.47 -6.9 49.35 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.085 0.866 . . . . 0.0 112.789 -178.292 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.25 14.83 30.73 Favored 'General case' 0 N--CA 1.506 2.354 0 C-N-CA 115.731 -2.388 . . . . 0.0 111.963 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.62 80.18 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.196 -1.565 . . . . 0.0 116.13 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -96.25 137.87 34.68 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.8 p -119.9 131.89 55.37 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 126.344 2.277 . . . . 0.0 106.169 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 tp -109.46 141.83 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.797 3.186 . . . . 0.0 109.099 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 p -101.24 139.91 36.26 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 116.893 -1.923 . . . . 0.0 108.4 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.47 154.0 44.32 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 115.503 -2.189 . . . . 0.0 108.485 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -111.83 121.15 44.27 Favored 'General case' 0 N--CA 1.495 1.814 1 O-C-N 129.122 4.014 . . . . 0.0 103.591 174.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.09 170.56 15.9 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 O-C-N 127.731 3.144 . . . . 0.0 111.256 -177.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.1 144.6 38.1 Favored Pre-proline 0 C--N 1.313 -1.018 0 CA-C-N 112.065 -2.334 . . . . 0.0 106.241 174.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 72.5 Cg_exo -54.84 -24.8 40.21 Favored 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 122.635 2.224 . . . . 0.0 111.537 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 43.3 t -79.86 -8.21 59.17 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.102 -0.999 . . . . 0.0 110.91 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.94 148.53 47.61 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.782 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -83.84 160.54 21.15 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 175.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.785 HG12 ' HG ' ' B' ' 50' ' ' LEU . 2.0 mp -61.43 -36.81 75.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 126.888 2.617 . . . . 0.0 110.364 175.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -42.89 77.93 Favored 'General case' 0 C--O 1.251 1.166 0 O-C-N 120.424 -1.423 . . . . 0.0 110.979 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.43 -44.47 91.09 Favored 'General case' 0 C--O 1.251 1.147 0 C-N-CA 124.173 0.989 . . . . 0.0 111.498 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.0 t -58.64 -46.25 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.286 -1.325 . . . . 0.0 108.983 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -60.81 -37.96 83.74 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.882 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.08 87.07 Favored 'General case' 0 C--O 1.278 2.57 0 O-C-N 123.365 0.416 . . . . 0.0 111.354 176.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -64.05 -37.4 87.3 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 120.519 -1.363 . . . . 0.0 110.849 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.2 mt -69.69 -39.71 78.42 Favored 'Isoleucine or valine' 0 C--O 1.253 1.261 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -48.84 78.55 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 125.494 2.569 . . . . 0.0 108.96 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.52 -41.69 66.62 Favored 'General case' 0 C--O 1.256 1.423 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.8 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 4.3 mttp -93.42 -24.38 18.07 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 117.164 2.283 . . . . 0.0 117.164 -175.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.58 -6.32 8.09 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 122.939 2.609 . . . . 0.0 113.81 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.04 5.6 90.03 Favored Glycine 0 CA--C 1.476 -2.4 0 N-CA-C 118.718 2.247 . . . . 0.0 118.718 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.494 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 49.0 mt -79.91 125.05 82.8 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 118.736 -1.185 . . . . 0.0 111.035 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.0 Cg_exo -57.17 137.01 79.86 Favored 'Trans proline' 0 C--O 1.257 1.435 0 C-N-CA 122.941 2.427 . . . . 0.0 110.85 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.1 Cg_exo -57.22 -32.22 92.93 Favored 'Trans proline' 0 C--O 1.261 1.67 0 O-C-N 122.979 0.989 . . . . 0.0 113.315 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -68.33 -15.55 63.61 Favored 'General case' 0 C--O 1.264 1.827 0 O-C-N 120.039 -1.663 . . . . 0.0 112.187 -177.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.552 ' CG ' HD21 ' B' ' 71' ' ' LEU . 7.4 mp0 -95.61 -10.47 29.38 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.471 -1.393 . . . . 0.0 112.169 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -84.92 129.66 34.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 124.232 1.967 . . . . 0.0 115.755 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -121.16 116.07 24.26 Favored 'General case' 0 C--O 1.299 3.676 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 172.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.776 ' CB ' HD22 ' B' ' 50' ' ' LEU . 1.6 tp -103.52 130.28 50.87 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 119.536 1.062 . . . . 0.0 109.989 -177.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -121.98 131.56 72.87 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.131 1.52 . . . . 0.0 112.059 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.846 ' HB2' ' CZ ' ' B' ' 59' ' ' TYR . 0.0 OUTLIER -144.21 129.85 19.14 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.436 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ALA . . . . . 0.429 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . . . 48.09 46.0 19.47 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 112.011 -2.359 . . . . 0.0 110.682 177.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.91 20.18 59.66 Favored Glycine 0 C--N 1.299 -1.486 0 C-N-CA 128.233 2.825 . . . . 0.0 117.334 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -109.89 143.86 39.2 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 115.411 -2.233 . . . . 0.0 110.916 174.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.486 ' HB3' ' HB2' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -87.19 130.28 34.62 Favored 'General case' 0 C--N 1.281 -2.394 0 N-CA-C 104.002 -2.592 . . . . 0.0 104.002 173.375 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.91 ' O ' HD23 ' B' ' 50' ' ' LEU . 0.2 OUTLIER -79.57 138.39 37.46 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.028 -175.782 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -101.89 139.95 36.83 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 125.173 1.545 . . . . 0.0 110.02 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -42.13 28.72 Favored 'General case' 0 C--O 1.263 1.79 0 N-CA-C 120.714 3.598 . . . . 0.0 120.714 -175.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.12 -8.66 85.24 Favored Glycine 0 CA--C 1.492 -1.359 0 N-CA-C 116.035 1.174 . . . . 0.0 116.035 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.445 ' O ' ' CD1' ' B' ' 23' ' ' ILE . 0.0 OUTLIER -85.56 165.31 17.18 Favored 'General case' 0 C--O 1.25 1.083 0 O-C-N 120.186 -1.773 . . . . 0.0 107.985 176.454 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 53.1 p -104.32 164.45 11.73 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 176.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.411 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 0.4 OUTLIER -60.99 -36.41 79.38 Favored 'General case' 0 C--O 1.2 -1.505 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 177.2 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.1 p -63.61 -29.76 70.97 Favored 'General case' 0 C--O 1.268 2.07 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.229 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -39.07 70.56 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 122.471 1.129 . . . . 0.0 110.706 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.846 ' CZ ' ' HB2' ' B' ' 45' ' ' PHE . 21.0 t80 -91.08 4.48 52.05 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.914 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 58.04 45.34 18.06 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 121.717 2.053 . . . . 0.0 111.253 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.509 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.0 OUTLIER -88.73 116.26 30.07 Favored 'Isoleucine or valine' 0 C--O 1.271 2.193 0 CA-C-O 115.078 -2.391 . . . . 0.0 106.289 175.848 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.35 169.59 8.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 126.098 2.124 . . . . 0.0 109.704 -176.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -55.05 143.05 28.08 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.23 1.49 . . . . 0.0 109.229 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 67.01 19.07 10.6 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 117.885 2.55 . . . . 0.0 117.885 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.475 ' HB3' HD13 ' B' ' 61' ' ' ILE . 30.8 t -71.11 159.51 34.57 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 174.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -118.97 126.62 52.18 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 118.199 -0.905 . . . . 0.0 108.842 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -103.14 154.52 19.21 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 114.672 -2.585 . . . . 0.0 105.755 175.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.454 ' HA ' ' HG3' ' B' ' 6' ' ' LYS . 1.8 m80 -105.51 135.71 46.42 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 127.588 3.055 . . . . 0.0 105.79 177.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tt -107.01 115.8 30.82 Favored 'General case' 0 C--O 1.284 2.917 0 CA-C-O 117.705 -1.141 . . . . 0.0 111.425 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.1 t -108.13 139.96 28.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.717 0 N-CA-C 103.42 -2.807 . . . . 0.0 103.42 175.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.58 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.9 tt -96.03 -83.5 0.37 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.256 0.551 . . . . 0.0 109.847 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER 149.59 154.64 0.0 OUTLIER 'General case' 0 C--N 1.279 -2.466 0 CA-C-O 113.44 -3.172 . . . . 0.0 105.459 -179.817 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 mt -141.28 -50.35 0.42 Allowed 'General case' 0 C--N 1.294 -1.834 0 O-C-N 125.663 1.852 . . . . 0.0 109.715 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.44 128.85 0.08 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 113.844 -1.526 . . . . 0.0 108.696 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.63 -124.5 5.35 Favored Glycine 0 C--O 1.243 0.715 0 CA-C-N 114.736 -1.12 . . . . 0.0 115.177 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.422 0 CA-C-O 116.442 -2.31 . . . . 0.0 108.202 179.027 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.92 0.867 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 m120 58.3 82.77 0.13 Allowed 'General case' 0 C--N 1.289 -2.044 0 O-C-N 119.099 -2.251 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -73.68 93.55 2.09 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 126.728 2.011 . . . . 0.0 110.703 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -89.08 137.86 31.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.557 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.703 ' HB2' HG23 ' C' ' 49' ' ' ILE . 1.1 mp -70.2 -39.55 75.11 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.669 0.747 . . . . 0.0 111.856 172.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.575 ' HB ' HG22 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.4 136.07 21.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 125.195 1.398 . . . . 0.0 107.433 -178.214 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.35 147.99 34.16 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.572 165.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -160.97 155.24 23.04 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.246 0.966 . . . . 0.0 111.235 173.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -72.24 127.75 33.52 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.365 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.13 147.7 6.79 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-O 122.078 0.942 . . . . 0.0 110.079 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.91 164.89 25.26 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -179.22 3.78 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 3.5 mtt -137.14 161.03 37.25 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.65 156.46 48.52 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.816 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.7 116.14 28.74 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 177.311 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -112.33 115.81 29.35 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.02 8.58 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -169.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.7 m -114.04 14.57 18.38 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.381 -0.409 . . . . 0.0 109.919 178.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.1 p -111.99 122.49 47.92 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 97.2 t -76.11 120.09 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -124.17 119.38 26.44 Favored Pre-proline 0 C--O 1.245 0.856 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -173.331 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.92 134.8 59.01 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 117.946 -0.903 . . . . 0.0 111.873 173.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.74 132.21 34.18 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -11.23 59.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -172.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -67.08 144.36 56.15 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 125.56 26.74 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 45' ' ' GLY . . . . . 0.446 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.33 171.18 21.6 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.19 1.439 . . . . 0.0 115.389 -179.098 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 74.4 mt -128.35 124.43 36.39 Favored 'General case' 0 N--CA 1.423 -1.796 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 175.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 25.9 t -90.98 137.58 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 164.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -151.96 157.74 42.18 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.983 0.897 . . . . 0.0 113.007 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.733 HG12 ' CD2' ' C' ' 127' ' ' TYR . 5.8 tp -118.74 131.04 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 113.591 -1.64 . . . . 0.0 108.36 174.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -134.02 137.61 44.84 Favored 'General case' 0 CA--C 1.492 -1.251 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -100.2 122.13 42.53 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 170.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 36.0 p -84.04 171.12 13.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.295 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.61 -10.4 59.71 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.606 -0.837 . . . . 0.0 113.149 -170.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.69 7.42 14.91 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.028 170.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.82 -1.15 3.15 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.496 1.518 . . . . 0.0 114.704 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mp -102.23 129.07 54.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.122 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.541 ' O ' HD12 ' C' ' 49' ' ' ILE . 11.7 m170 -117.58 125.32 50.59 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 59' ' ' PHE . . . . . 0.581 ' CZ ' HD12 ' C' ' 96' ' ' LEU . 0.0 OUTLIER -98.8 119.04 36.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 171.295 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 56.2 m -127.75 156.84 41.8 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 61' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.48 128.21 40.78 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 113.547 -1.66 . . . . 0.0 108.711 169.32 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -120.66 134.43 55.28 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.741 -176.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -74.32 115.34 13.72 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -64.1 -32.28 73.78 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -176.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.59 -46.14 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -175.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -20.45 21.79 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.578 -176.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.67 60.83 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 119.709 -0.495 . . . . 0.0 113.771 -171.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -72.62 130.02 39.62 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.653 1.226 . . . . 0.0 113.122 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.12 109.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -94.42 -28.9 15.25 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.965 -171.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -122.03 135.55 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.864 0.84 . . . . 0.0 109.417 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -155.0 103.34 2.39 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 73' ' ' LEU . . . . . 0.443 HD13 ' HE2' ' C' ' 59' ' ' PHE . 0.1 OUTLIER -118.05 123.28 45.26 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 114.304 -1.316 . . . . 0.0 109.264 -174.784 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 pp -75.86 124.3 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.432 1.111 . . . . 0.0 111.742 168.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 1.022 HG21 HD13 ' C' ' 128' ' ' LEU . 18.0 mm -122.96 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.602 -174.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 76' ' ' PHE . . . . . 0.421 ' CB ' HD11 ' A' ' 44' ' ' ILE . 1.5 m-85 -101.27 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.625 0 O-C-N 124.424 1.078 . . . . 0.0 110.902 173.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.28 133.88 58.08 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.319 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.54 6.79 5.89 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -175.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 79' ' ' ASP . . . . . 0.718 ' OD1' HG23 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -70.39 -33.63 71.62 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.975 0.807 . . . . 0.0 109.574 176.842 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 14.3 p -154.9 168.22 27.67 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.5 -1.28 . . . . 0.0 113.639 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -133.47 139.33 46.62 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.018 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.748 ' CD2' HD22 ' C' ' 96' ' ' LEU . 3.1 m-85 -106.79 124.2 49.27 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -148.56 156.4 42.38 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -67.64 142.79 56.29 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.444 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 96.9 t -94.23 98.35 2.86 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 171.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -61.0 -31.96 91.85 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 N-CA-C 117.791 2.189 . . . . 0.0 117.791 -167.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -91.1 8.59 34.82 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.207 -164.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 58.4 m -85.09 119.68 72.74 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.93 -19.89 34.05 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.427 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 88.1 p -65.49 -34.66 78.8 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.421 0.555 . . . . 0.0 110.06 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.41 13.09 64.74 Favored Glycine 0 CA--C 1.506 -0.529 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.558 -172.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -121.05 17.2 11.67 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -97.1 133.43 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -125.08 151.87 45.09 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 125.634 1.834 . . . . 0.0 110.375 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 95' ' ' VAL . . . . . 0.404 ' C ' HD23 ' C' ' 96' ' ' LEU . 9.7 p -127.03 135.31 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 96' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' C' ' 82' ' ' PHE . 0.6 OUTLIER -95.44 108.15 20.34 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.107 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -109.26 125.16 51.99 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -171.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -84.81 115.64 22.84 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.146 0.904 . . . . 0.0 109.17 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 99' ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -63.38 -25.16 68.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.412 -169.633 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.25 115.19 28.93 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 173.619 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 102' ' ' SER . . . . . 0.484 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 23.4 m -91.39 9.04 33.34 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.034 -0.686 . . . . 0.0 110.525 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -70.76 129.15 38.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 117.943 -1.503 . . . . 0.0 110.596 -164.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.01 141.69 46.25 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.968 175.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 81.6 mt -124.53 126.17 45.41 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 171.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -100.8 143.74 30.59 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 124.794 1.309 . . . . 0.0 110.23 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -137.09 156.7 48.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.519 -1.218 . . . . 0.0 109.281 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -131.46 126.64 35.55 Favored 'General case' 0 N--CA 1.419 -2.008 0 C-N-CA 119.573 -0.851 . . . . 0.0 110.434 174.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.73 137.76 58.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.224 -174.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.83 3.91 11.55 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.225 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.34 135.96 93.97 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.177 1.465 . . . . 0.0 108.637 173.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.25 -41.41 42.49 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.11 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 121.149 0.499 . . . . 0.0 110.49 173.682 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.0 t -83.38 -9.3 59.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.199 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -53.57 -33.84 56.2 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.16 5.76 37.97 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -174.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -56.85 -48.83 77.17 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.348 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.17 70.45 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 110.559 -173.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.29 -44.06 80.2 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.947 0.404 . . . . 0.0 110.932 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -55.64 -45.81 77.54 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.981 -1.074 . . . . 0.0 112.286 173.593 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 121' ' ' CYS . . . . . 0.852 ' O ' HG22 ' C' ' 124' ' ' VAL . 54.0 t -60.63 -43.18 97.82 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.637 0.732 . . . . 0.0 110.264 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -43.47 98.78 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.092 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -64.15 -42.38 96.8 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 124' ' ' VAL . . . . . 1.048 ' HA ' ' CE1' ' C' ' 127' ' ' TYR . 17.0 m -52.24 -51.97 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.401 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 125' ' ' ASN . . . . . 0.5 ' N ' HG23 ' C' ' 124' ' ' VAL . 4.5 m-20 -60.3 -39.53 87.3 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -65.27 -46.04 82.08 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.437 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 127' ' ' TYR . . . . . 1.048 ' CE1' ' HA ' ' C' ' 124' ' ' VAL . 0.5 OUTLIER -79.07 -24.42 43.53 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.423 -0.911 . . . . 0.0 112.3 -174.523 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 1.022 HD13 HG21 ' C' ' 75' ' ' ILE . 3.8 mt -79.04 -36.1 41.59 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.811 -0.755 . . . . 0.0 112.245 174.507 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 129' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' C' ' 129' ' ' ASN . 1.2 t30 -110.77 -11.17 14.42 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -168.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -141.17 71.93 27.35 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 169.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -46.18 165.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 121.564 1.509 . . . . 0.0 111.609 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 C--N 1.289 -2.558 0 C-N-CA 122.632 2.221 . . . . 0.0 111.559 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 mtm . . . . . 0 CA--C 1.55 0.957 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -91.14 138.23 31.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 126.857 2.598 . . . . 0.0 108.837 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.412 HD11 ' HB ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -131.23 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.41 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 173.49 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -115.98 140.13 49.57 Favored 'General case' 0 N--CA 1.512 2.649 1 O-C-N 130.565 4.916 . . . . 0.0 108.757 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.417 ' HB ' HG22 ' A' ' 13' ' ' ILE . 21.2 t -117.99 114.22 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-O 113.396 -3.192 . . . . 0.0 105.633 175.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.26 127.61 41.45 Favored 'General case' 0 N--CA 1.506 2.344 1 O-C-N 129.351 4.157 . . . . 0.0 107.868 -178.066 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.28 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.4 -7.05 50.05 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 124.121 0.888 . . . . 0.0 112.663 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -101.53 15.11 29.92 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.568 -2.453 . . . . 0.0 112.023 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.72 80.14 Favored Glycine 0 C--N 1.298 -1.572 0 O-C-N 120.204 -1.56 . . . . 0.0 116.08 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 138.15 34.53 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 175.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.92 131.75 55.31 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 126.63 2.456 . . . . 0.0 105.857 176.399 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.429 HD11 ' HG3' ' A' ' 33' ' ' LYS . 1.3 tt -109.7 141.92 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 127.692 3.12 . . . . 0.0 108.822 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.35 139.64 36.74 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.216 -1.793 . . . . 0.0 108.228 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 mp -126.44 154.06 44.19 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 115.388 -2.244 . . . . 0.0 108.34 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -111.83 121.02 43.91 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.29 4.119 . . . . 0.0 103.673 173.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.412 ' HB ' HD11 ' A' ' 3' ' ' ILE . 2.3 t -138.92 170.57 16.07 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 O-C-N 127.528 3.017 . . . . 0.0 111.213 -177.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -119.92 144.41 37.37 Favored Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 112.383 -2.19 . . . . 0.0 106.401 174.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -54.95 -24.38 39.13 Favored 'Trans proline' 0 C--N 1.321 -0.913 0 C-N-CA 122.49 2.126 . . . . 0.0 111.914 177.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m -79.97 -8.19 59.21 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.842 -177.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.96 148.43 47.7 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 117.498 -1.681 . . . . 0.0 109.838 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -83.73 160.52 21.26 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.7 mp -61.51 -37.02 76.85 Favored 'Isoleucine or valine' 0 C--O 1.246 0.9 0 O-C-N 127.206 2.816 . . . . 0.0 110.257 175.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -40.08 78.43 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.324 -0.86 . . . . 0.0 110.723 177.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.35 -41.94 79.95 Favored 'General case' 0 C--O 1.261 1.663 0 O-C-N 121.841 -0.537 . . . . 0.0 110.969 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.18 -46.48 88.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.529 1.143 . . . . 0.0 109.192 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -60.82 -37.9 83.57 Favored 'General case' 0 C--O 1.258 1.507 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.746 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.1 87.31 Favored 'General case' 0 C--O 1.278 2.555 0 CA-C-N 118.073 0.397 . . . . 0.0 111.165 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -64.14 -37.56 87.91 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 120.43 -1.419 . . . . 0.0 110.716 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.3 mt -69.91 -39.44 77.58 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -62.2 -48.77 78.57 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 125.547 2.594 . . . . 0.0 109.052 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -41.66 65.62 Favored 'General case' 0 C--O 1.253 1.244 0 CA-C-N 113.404 -1.726 . . . . 0.0 111.988 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HG3' HD11 ' A' ' 13' ' ' ILE 0.317 13.0 tptm -93.7 -24.31 17.9 Favored 'General case' 0 C--O 1.281 2.712 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -175.837 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -123.33 -6.49 8.22 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 123.166 2.712 . . . . 0.0 114.251 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.67 89.94 Favored Glycine 0 CA--C 1.478 -2.227 0 N-CA-C 118.896 2.318 . . . . 0.0 118.896 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 64.3 mt -79.82 124.73 83.2 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.886 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 80.6 Cg_exo -56.99 136.9 79.47 Favored 'Trans proline' 0 C--O 1.257 1.453 0 C-N-CA 123.301 2.667 . . . . 0.0 110.767 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.6 Cg_exo -57.22 -31.95 92.15 Favored 'Trans proline' 0 C--O 1.263 1.755 0 O-C-N 123.067 1.035 . . . . 0.0 113.634 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -68.47 -15.29 63.49 Favored 'General case' 0 C--O 1.264 1.833 0 O-C-N 119.841 -1.787 . . . . 0.0 112.208 -177.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -95.99 -10.33 28.86 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.582 -1.324 . . . . 0.0 112.048 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -84.89 129.65 34.78 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 124.441 2.067 . . . . 0.0 115.75 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.02 116.12 24.45 Favored 'General case' 0 C--O 1.299 3.706 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 171.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -103.52 130.17 50.85 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 119.48 1.036 . . . . 0.0 109.96 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -122.16 131.88 72.21 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 O-C-N 125.239 1.587 . . . . 0.0 111.885 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -144.31 129.56 18.75 Favored 'General case' 0 C--N 1.36 1.047 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' HG3' ' C' ' 103' ' ' LYS . . . 48.17 46.02 19.75 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.208 -2.269 . . . . 0.0 110.842 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.69 60.96 Favored Glycine 0 N--CA 1.432 -1.607 0 C-N-CA 128.581 2.991 . . . . 0.0 117.489 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -115.01 142.91 45.99 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.93 130.3 34.58 Favored 'General case' 0 C--O 1.258 1.519 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 174.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.56 138.08 37.37 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 117.703 -1.141 . . . . 0.0 110.18 -175.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.522 ' O ' HD13 ' A' ' 23' ' ' ILE . 13.4 mm-40 -101.66 140.17 36.31 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 125.028 1.455 . . . . 0.0 109.988 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -42.45 28.88 Favored 'General case' 0 C--O 1.263 1.814 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -175.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 -8.9 85.44 Favored Glycine 0 CA--C 1.488 -1.606 0 N-CA-C 116.184 1.234 . . . . 0.0 116.184 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.753 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -85.41 165.36 17.27 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 119.715 -2.05 . . . . 0.0 108.028 176.518 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 26.6 p -104.57 164.84 11.47 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 177.021 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.56 -36.08 79.59 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -29.52 70.64 Favored 'General case' 0 C--O 1.269 2.106 0 C-N-CA 117.278 -1.769 . . . . 0.0 112.175 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -39.69 70.57 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 122.364 1.078 . . . . 0.0 110.657 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -90.81 4.8 50.7 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 117.638 -1.172 . . . . 0.0 112.966 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 58.14 45.15 18.02 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.671 2.032 . . . . 0.0 111.174 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.4 mt -88.74 116.53 30.55 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 115.156 -2.354 . . . . 0.0 106.185 175.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -103.58 169.67 8.39 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.106 2.129 . . . . 0.0 109.315 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 142.94 27.71 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 123.186 1.47 . . . . 0.0 109.149 -176.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 67.13 19.11 10.45 Favored 'General case' 0 C--O 1.254 1.316 0 N-CA-C 117.98 2.585 . . . . 0.0 117.98 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -71.14 159.55 34.47 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.16 126.74 52.3 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 118.108 -0.949 . . . . 0.0 108.859 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.4 mt -103.11 154.59 19.13 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 114.828 -2.511 . . . . 0.0 105.647 175.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 -105.63 135.59 46.76 Favored 'General case' 0 C--N 1.287 -2.111 0 O-C-N 127.352 2.907 . . . . 0.0 105.838 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tt -106.83 115.8 30.82 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.457 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.8 t -108.07 139.84 28.75 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 N-CA-C 103.574 -2.751 . . . . 0.0 103.574 175.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.03 138.92 32.96 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.288 0.566 . . . . 0.0 109.828 178.275 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -139.4 -177.78 5.08 Favored 'General case' 0 C--N 1.279 -2.476 0 CA-C-O 113.183 -3.294 . . . . 0.0 105.559 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.74 97.47 0.02 OUTLIER 'General case' 0 C--N 1.291 -1.965 0 O-C-N 125.942 2.026 . . . . 0.0 109.591 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -54.98 -42.66 72.7 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 113.603 -1.635 . . . . 0.0 108.838 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.91 152.78 23.88 Favored Glycine 0 C--O 1.246 0.882 0 CA-C-N 114.629 -1.169 . . . . 0.0 115.198 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.599 0 N-CA-C 108.198 -1.961 . . . . 0.0 108.198 179.465 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.93 138.53 31.53 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 127.148 2.78 . . . . 0.0 108.788 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.847 HD11 HG12 ' B' ' 17' ' ' VAL . 0.0 OUTLIER -131.21 163.14 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.25 0 CA-C-O 115.739 -2.076 . . . . 0.0 105.941 173.14 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -116.01 140.11 49.59 Favored 'General case' 0 N--CA 1.514 2.737 1 O-C-N 130.603 4.939 . . . . 0.0 108.65 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 33.5 t -117.87 114.12 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 113.443 -3.17 . . . . 0.0 105.789 175.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.11 127.57 41.27 Favored 'General case' 0 N--CA 1.503 2.195 1 O-C-N 129.184 4.053 . . . . 0.0 108.185 -178.145 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.3 p -99.57 170.74 8.38 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.749 -1.119 . . . . 0.0 109.328 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.652 ' H ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.27 -7.03 49.76 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 124.171 0.919 . . . . 0.0 112.824 -178.28 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -101.22 14.82 30.75 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 115.661 -2.416 . . . . 0.0 111.944 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.69 80.05 Favored Glycine 0 C--N 1.296 -1.64 0 O-C-N 120.102 -1.624 . . . . 0.0 116.044 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.26 137.92 34.63 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 174.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 24.5 p -119.9 131.92 55.38 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 126.365 2.29 . . . . 0.0 106.122 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mm -109.53 141.81 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 127.795 3.184 . . . . 0.0 109.063 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -101.1 139.87 36.19 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 117.031 -1.867 . . . . 0.0 108.376 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 mp -126.57 154.0 44.48 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 115.405 -2.236 . . . . 0.0 108.421 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -111.77 121.25 44.57 Favored 'General case' 0 N--CA 1.498 1.933 1 O-C-N 129.416 4.197 . . . . 0.0 103.513 174.076 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.847 HG12 HD11 ' B' ' 3' ' ' ILE . 0.4 OUTLIER -139.15 170.54 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.213 0 O-C-N 127.798 3.186 . . . . 0.0 111.198 -177.855 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.467 ' N ' HG13 ' B' ' 17' ' ' VAL . 0.5 OUTLIER -120.03 144.64 38.06 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 112.032 -2.349 . . . . 0.0 106.251 174.702 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.98 -24.69 40.73 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 C-N-CA 122.687 2.258 . . . . 0.0 111.52 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -8.26 59.21 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.857 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.93 148.47 47.69 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 117.28 -1.768 . . . . 0.0 109.81 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.78 160.55 21.2 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 1.223 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.48 -36.79 75.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 127.048 2.718 . . . . 0.0 110.346 175.861 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.782 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.15 -42.94 77.77 Favored 'General case' 0 C--O 1.252 1.207 0 O-C-N 120.393 -1.442 . . . . 0.0 110.974 176.308 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -64.42 -44.58 90.75 Favored 'General case' 0 C--O 1.251 1.154 0 C-N-CA 124.208 1.003 . . . . 0.0 111.395 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.55 -46.31 90.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.882 1.363 . . . . 0.0 109.01 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -60.71 -37.94 83.37 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.907 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.27 -37.96 86.68 Favored 'General case' 0 C--O 1.278 2.558 0 O-C-N 123.496 0.498 . . . . 0.0 111.451 176.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -64.15 -37.33 87.08 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 120.481 -1.387 . . . . 0.0 110.78 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.77 -39.74 78.29 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 13.9 tt0 -61.92 -48.88 78.45 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 125.504 2.573 . . . . 0.0 108.995 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.33 -41.8 66.09 Favored 'General case' 0 C--O 1.256 1.414 0 CA-C-N 113.69 -1.595 . . . . 0.0 111.869 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -93.36 -24.45 18.09 Favored 'General case' 0 C--O 1.28 2.662 0 N-CA-C 117.196 2.295 . . . . 0.0 117.196 -175.888 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.64 -6.28 8.06 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 122.941 2.61 . . . . 0.0 113.83 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.56 90.06 Favored Glycine 0 CA--C 1.476 -2.366 0 N-CA-C 118.803 2.281 . . . . 0.0 118.803 176.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.447 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 58.3 mt -80.04 125.05 82.58 Favored Pre-proline 0 C--O 1.241 0.65 0 C-N-CA 118.627 -1.229 . . . . 0.0 111.051 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.496 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 24.8 Cg_endo -57.0 136.99 80.03 Favored 'Trans proline' 0 C--O 1.256 1.386 0 C-N-CA 122.971 2.447 . . . . 0.0 110.853 178.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.6 Cg_exo -57.24 -32.22 92.99 Favored 'Trans proline' 0 C--O 1.261 1.654 0 O-C-N 123.032 1.017 . . . . 0.0 113.435 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.19 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 119.97 -1.706 . . . . 0.0 112.215 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.522 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.9 OUTLIER -95.58 -10.55 29.26 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.559 -1.338 . . . . 0.0 112.192 178.484 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -84.85 129.55 34.79 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 124.193 1.949 . . . . 0.0 115.775 -177.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -121.15 116.15 24.41 Favored 'General case' 0 C--O 1.299 3.668 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 172.234 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.6 130.34 51.01 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.476 1.034 . . . . 0.0 109.935 -177.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.543 HG23 ' O ' ' B' ' 68' ' ' HIS . 0.1 OUTLIER -122.07 131.58 72.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 O-C-N 125.181 1.55 . . . . 0.0 112.018 -177.574 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -144.27 129.85 19.07 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.01 19.62 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 111.9 -2.409 . . . . 0.0 110.639 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 20.2 59.55 Favored Glycine 0 C--N 1.298 -1.535 0 C-N-CA 128.363 2.887 . . . . 0.0 117.319 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -109.83 143.84 39.12 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 115.344 -2.265 . . . . 0.0 110.977 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.57 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -87.24 130.37 34.6 Favored 'General case' 0 C--N 1.28 -2.423 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 173.393 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.62 138.41 37.41 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 117.57 -1.205 . . . . 0.0 110.024 -175.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 1.223 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.7 OUTLIER -101.91 140.09 36.66 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 125.252 1.595 . . . . 0.0 109.952 -177.693 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.895 ' O ' HG23 ' B' ' 23' ' ' ILE . 1.2 p30 -48.39 -41.97 30.5 Favored 'General case' 0 C--O 1.263 1.771 0 N-CA-C 120.787 3.625 . . . . 0.0 120.787 -175.751 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.18 -8.65 85.15 Favored Glycine 0 N--CA 1.476 1.342 0 N-CA-C 115.942 1.137 . . . . 0.0 115.942 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.806 ' O ' HG22 ' B' ' 23' ' ' ILE . 16.1 mmt180 -85.57 165.32 17.16 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.116 -1.814 . . . . 0.0 107.969 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 30.2 p -104.33 164.48 11.7 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 177.028 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.02 -36.46 79.59 Favored 'General case' 0 C--O 1.2 -1.518 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.6 t -63.57 -29.79 71.0 Favored 'General case' 0 C--O 1.267 2.011 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.229 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.78 -38.99 70.63 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 122.44 1.114 . . . . 0.0 110.73 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -91.07 4.53 51.9 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.632 -1.175 . . . . 0.0 112.903 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.87 45.42 18.45 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 121.68 2.036 . . . . 0.0 111.257 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.3 mt -88.71 116.15 29.88 Favored 'Isoleucine or valine' 0 C--O 1.27 2.159 0 CA-C-O 114.994 -2.431 . . . . 0.0 106.309 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.2 169.51 8.51 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 126.157 2.161 . . . . 0.0 109.67 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 142.89 28.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 123.151 1.453 . . . . 0.0 109.359 -176.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.16 19.06 10.43 Favored 'General case' 0 C--O 1.254 1.342 0 N-CA-C 117.806 2.521 . . . . 0.0 117.806 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.07 159.57 34.48 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 174.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.03 126.61 52.11 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 118.142 -0.932 . . . . 0.0 108.784 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mp -103.17 154.59 19.16 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.597 -2.62 . . . . 0.0 105.776 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.543 ' O ' HG23 ' B' ' 44' ' ' ILE . 3.0 m80 -105.55 135.83 46.24 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 127.644 3.09 . . . . 0.0 105.688 178.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.14 115.78 30.78 Favored 'General case' 0 C--O 1.283 2.845 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.403 176.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.06 139.93 28.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 103.467 -2.79 . . . . 0.0 103.467 175.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.579 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.9 tt -96.16 -83.47 0.37 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.101 0.477 . . . . 0.0 109.795 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.41 ' HB2' ' H ' ' C' ' 102' ' ' SER . 40.0 ttp180 163.87 -49.99 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.543 0 CA-C-O 113.415 -3.183 . . . . 0.0 105.475 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 62.99 57.24 1.68 Allowed 'General case' 0 C--N 1.293 -1.873 0 O-C-N 125.663 1.852 . . . . 0.0 109.711 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.32 117.52 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 113.761 -1.563 . . . . 0.0 108.698 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.92 154.43 22.21 Favored Glycine 0 C--O 1.244 0.737 0 CA-C-N 114.822 -1.081 . . . . 0.0 115.143 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.444 0 CA-C-O 116.595 -2.225 . . . . 0.0 108.292 179.022 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.511 -0.549 0 CA-C-O 122.027 0.918 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.29 71.82 0.4 Allowed 'General case' 0 C--N 1.29 -2.008 0 O-C-N 119.055 -2.278 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -153.72 72.58 0.92 Allowed 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 126.766 2.026 . . . . 0.0 110.623 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.612 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.438 HD13 ' CD2' ' C' ' 127' ' ' TYR . 24.9 mt -70.18 -39.66 75.14 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.682 0.754 . . . . 0.0 111.848 172.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -144.29 136.07 22.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.247 1.419 . . . . 0.0 107.461 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.3 148.06 34.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.664 -0.815 . . . . 0.0 110.625 165.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.03 155.17 22.79 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.225 0.953 . . . . 0.0 111.21 173.175 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -72.29 127.77 33.57 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.338 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.18 147.69 6.74 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.077 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.98 164.85 25.15 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.11 -179.19 3.78 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 15.0 mtt -137.13 161.09 37.09 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.7 156.58 48.34 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.067 -1.453 . . . . 0.0 108.751 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.74 116.16 28.77 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.39 115.91 29.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 106.465 -1.679 . . . . 0.0 106.465 172.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -169.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.1 p -114.01 14.55 18.42 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.383 -0.409 . . . . 0.0 109.962 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 47.4 p -111.96 122.49 47.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.507 HG23 ' O ' ' C' ' 38' ' ' VAL . 34.6 m -76.16 120.0 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 66.5 p -124.07 119.31 26.57 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.17 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.8 59.06 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 117.91 -0.927 . . . . 0.0 111.946 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 172.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.26 59.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -67.04 144.37 56.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -173.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 125.59 26.86 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 171.676 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 45' ' ' GLY . . . . . 0.445 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.37 171.26 21.58 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.189 1.438 . . . . 0.0 115.372 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.42 124.33 35.99 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.9 t -90.85 137.5 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.122 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 164.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.705 ' C ' HD13 ' C' ' 49' ' ' ILE . 11.3 p90 -151.97 157.85 42.31 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.074 0.94 . . . . 0.0 112.97 175.434 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.856 HD12 ' CD2' ' C' ' 59' ' ' PHE . 3.4 mm -118.84 131.07 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.347 174.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -134.09 137.65 44.75 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -100.16 122.01 42.33 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 18.6 p -84.05 171.12 13.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.272 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.5 -10.47 59.81 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.622 -0.831 . . . . 0.0 113.191 -170.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.69 7.47 14.77 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.044 170.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m 73.8 -1.26 3.12 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.464 1.505 . . . . 0.0 114.703 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.87 149.89 39.39 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 122.186 0.994 . . . . 0.0 113.095 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' ILE . . . . . 0.611 ' CG2' HD11 ' C' ' 75' ' ' ILE . 2.7 mp -102.21 129.03 54.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.5 OUTLIER -117.51 125.38 50.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -176.579 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 59' ' ' PHE . . . . . 0.856 ' CD2' HD12 ' C' ' 49' ' ' ILE . 1.7 m-85 -98.87 119.04 36.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 171.265 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -127.75 156.76 41.92 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -171.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 61' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.47 128.35 41.06 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.485 -1.689 . . . . 0.0 108.646 169.273 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -120.7 134.36 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.753 -176.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.22 115.31 13.58 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 173.328 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -32.42 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 71.0 p -72.5 -46.16 56.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -175.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 93.5 p -91.42 -20.51 21.71 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.555 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.75 60.84 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.713 -0.493 . . . . 0.0 113.77 -171.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -72.54 130.02 39.66 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.624 1.212 . . . . 0.0 113.144 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.17 109.05 17.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.47 -28.77 15.29 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.047 -171.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.03 135.63 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.782 0.801 . . . . 0.0 109.383 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.08 103.33 2.38 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.06 123.25 45.19 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.253 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.91 124.3 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-O 122.392 1.091 . . . . 0.0 111.717 168.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.806 HD13 ' HB2' ' C' ' 128' ' ' LEU . 1.9 pp -122.96 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.602 -174.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -101.24 158.99 30.75 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.434 1.084 . . . . 0.0 110.87 173.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.32 133.85 58.05 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.931 2.421 . . . . 0.0 111.289 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.58 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.45 -33.54 71.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 119.038 0.835 . . . . 0.0 109.638 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 31.1 p -154.97 168.18 27.84 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.446 -1.302 . . . . 0.0 113.593 -173.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 81' ' ' GLU . . . . . 0.495 ' N ' HE21 ' B' ' 49' ' ' GLN . 10.8 tt0 -133.36 139.29 46.73 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.426 -1.716 . . . . 0.0 107.024 -178.116 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.69 124.19 49.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -148.51 156.48 42.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -67.77 142.85 56.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.426 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 85' ' ' VAL . . . . . 0.695 ' HB ' HG13 ' C' ' 93' ' ' VAL . 3.0 t -94.29 98.37 2.9 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.07 -31.89 91.28 Favored 'Trans proline' 0 C--N 1.329 -0.479 0 N-CA-C 117.834 2.206 . . . . 0.0 117.834 -167.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -91.08 8.6 34.71 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.011 -1.476 . . . . 0.0 112.145 -164.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 88' ' ' CYS . . . . . 0.54 ' HB2' HG11 ' C' ' 93' ' ' VAL . 12.6 t -85.09 119.62 72.67 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.96 -19.86 34.09 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.488 -173.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 56.3 m -65.52 -34.63 78.71 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.351 0.523 . . . . 0.0 110.047 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 12.99 64.73 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.587 -172.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -120.97 17.1 11.74 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 93' ' ' VAL . . . . . 0.695 HG13 ' HB ' ' C' ' 85' ' ' VAL . 2.5 p -97.08 133.5 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -125.1 151.79 45.23 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 125.46 1.725 . . . . 0.0 110.404 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.03 135.32 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tt -95.41 108.09 20.27 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 169.026 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.19 125.17 51.94 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -171.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -84.88 115.66 22.89 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.154 0.909 . . . . 0.0 109.214 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -25.21 68.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.355 -169.577 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.26 115.17 28.88 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 101' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' B' ' 72' ' ' ARG . . . 101.93 172.39 27.68 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -172.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 102' ' ' SER . . . . . 0.41 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 0.4 OUTLIER -91.37 9.03 33.3 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 122.037 -0.684 . . . . 0.0 110.549 179.408 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 103' ' ' LYS . . . . . 0.51 ' HG3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -70.65 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.606 -165.054 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.74 46.18 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.958 175.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -124.5 126.17 45.43 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 171.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.84 143.59 30.82 Favored 'General case' 0 N--CA 1.442 -0.875 0 O-C-N 124.722 1.264 . . . . 0.0 110.297 -177.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -137.03 156.67 48.13 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.344 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.46 126.67 35.64 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.544 -0.863 . . . . 0.0 110.36 175.017 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.65 137.84 58.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.198 -174.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -118.91 3.97 11.5 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.276 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 135.89 93.88 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.099 1.428 . . . . 0.0 108.614 172.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.36 -41.23 42.96 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.561 -1.16 . . . . 0.0 112.447 -174.061 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -96.18 146.9 24.29 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.508 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 23.1 p -83.39 -9.4 59.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.133 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -33.88 55.9 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -103.07 5.74 38.21 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -56.89 -48.77 77.42 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 118.946 -1.102 . . . . 0.0 110.306 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -69.83 -32.14 70.4 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.597 -173.496 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -44.0 79.84 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -45.88 77.56 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.015 -1.053 . . . . 0.0 112.249 173.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 121' ' ' CYS . . . . . 0.808 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 10.6 t -60.63 -43.03 97.99 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.611 0.72 . . . . 0.0 110.324 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.88 -43.44 98.84 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.152 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -64.22 -42.29 96.65 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 124' ' ' VAL . . . . . 0.808 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 5.7 m -52.37 -51.84 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.456 175.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 125' ' ' ASN . . . . . 0.512 ' HA ' HD23 ' C' ' 128' ' ' LEU . 0.6 OUTLIER -60.37 -39.43 87.19 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -46.0 82.18 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.823 0.344 . . . . 0.0 111.51 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 127' ' ' TYR . . . . . 0.438 ' CD2' HD13 ' C' ' 23' ' ' LEU . 11.8 m-85 -79.12 -24.42 43.39 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 119.428 -0.909 . . . . 0.0 112.3 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.806 ' HB2' HD13 ' C' ' 75' ' ' ILE . 0.4 OUTLIER -79.04 -36.11 41.57 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.794 -0.763 . . . . 0.0 112.24 174.511 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 129' ' ' ASN . . . . . 0.466 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.0 OUTLIER -110.78 -11.09 14.42 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -168.541 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -141.18 71.88 27.33 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 169.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -79.3 168.42 20.19 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.598 1.532 . . . . 0.0 111.678 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo . . . . . 0 C--N 1.289 -2.564 0 C-N-CA 122.466 2.11 . . . . 0.0 111.559 179.898 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 mmt . . . . . 0 CA--C 1.55 0.951 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.11 138.27 31.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 126.964 2.665 . . . . 0.0 108.901 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 pt -131.27 162.99 38.29 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.38 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.99 140.24 49.45 Favored 'General case' 0 N--CA 1.513 2.678 1 O-C-N 130.624 4.952 . . . . 0.0 108.772 179.61 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-O 113.423 -3.18 . . . . 0.0 105.634 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 127.55 41.35 Favored 'General case' 0 N--CA 1.506 2.374 1 O-C-N 129.307 4.13 . . . . 0.0 107.867 -178.087 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . 0.721 HG23 ' H ' ' A' ' 9' ' ' THR . 14.9 t -99.59 170.86 8.29 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.269 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -6.93 49.43 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.142 0.901 . . . . 0.0 112.747 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . 0.721 ' H ' HG23 ' A' ' 7' ' ' THR . 2.8 m -101.56 15.03 30.18 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 115.68 -2.408 . . . . 0.0 111.972 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 16.9 80.09 Favored Glycine 0 C--N 1.297 -1.621 0 O-C-N 120.204 -1.56 . . . . 0.0 116.08 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.546 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.46 138.05 34.63 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 p -120.0 131.66 55.22 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 126.544 2.403 . . . . 0.0 105.965 176.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mm -109.54 141.96 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 127.65 3.094 . . . . 0.0 108.857 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 t -101.39 139.7 36.7 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.176 -1.809 . . . . 0.0 108.188 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -126.43 154.0 44.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 115.443 -2.218 . . . . 0.0 108.32 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -111.81 121.01 43.92 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.226 4.079 . . . . 0.0 103.643 173.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.1 m -138.94 170.55 16.07 Favored 'Isoleucine or valine' 0 C--O 1.255 1.345 0 O-C-N 127.51 3.006 . . . . 0.0 111.266 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -119.91 144.43 37.4 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 112.451 -2.159 . . . . 0.0 106.445 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -55.01 -24.29 39.16 Favored 'Trans proline' 0 C--N 1.321 -0.9 0 C-N-CA 122.468 2.112 . . . . 0.0 112.004 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.7 p -80.04 -8.07 59.18 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.92 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.13 148.47 47.38 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 117.297 -1.761 . . . . 0.0 109.846 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.67 160.52 21.32 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 175.76 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -61.51 -37.04 76.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.848 0 O-C-N 127.148 2.78 . . . . 0.0 110.189 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.55 -40.25 78.47 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.32 -0.862 . . . . 0.0 110.658 177.046 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.33 -41.86 80.18 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 121.837 -0.539 . . . . 0.0 110.984 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.29 -46.46 88.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 O-C-N 124.473 1.108 . . . . 0.0 109.137 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -60.74 -37.98 83.58 Favored 'General case' 0 C--O 1.26 1.63 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.7 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.08 87.23 Favored 'General case' 0 C--O 1.278 2.564 0 CA-C-N 118.144 0.429 . . . . 0.0 111.154 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -37.43 87.44 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 120.432 -1.417 . . . . 0.0 110.701 176.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 2.9 mt -70.07 -39.47 77.25 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -48.71 78.73 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 125.496 2.569 . . . . 0.0 109.102 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -53.23 -41.71 65.69 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-N 113.466 -1.697 . . . . 0.0 111.935 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 16.0 ttmt -93.67 -24.19 17.97 Favored 'General case' 0 C--O 1.281 2.732 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 -175.861 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.48 -6.42 8.14 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.146 2.703 . . . . 0.0 114.194 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.56 90.02 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.934 2.334 . . . . 0.0 118.934 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.472 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 68.5 mt -79.85 124.76 83.14 Favored Pre-proline 0 C--O 1.244 0.764 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.936 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.9 Cg_exo -56.94 136.87 79.15 Favored 'Trans proline' 0 C--O 1.259 1.527 0 C-N-CA 123.362 2.708 . . . . 0.0 110.815 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.1 Cg_exo -57.31 -31.83 92.04 Favored 'Trans proline' 0 C--O 1.262 1.691 0 O-C-N 122.949 0.973 . . . . 0.0 113.605 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -15.19 63.45 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 119.921 -1.737 . . . . 0.0 112.213 -177.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.07 -10.19 29.01 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.709 -1.245 . . . . 0.0 112.027 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -84.9 129.62 34.78 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 124.35 2.024 . . . . 0.0 115.68 -177.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.478 ' HG3' HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -121.07 116.1 24.37 Favored 'General case' 0 C--O 1.299 3.67 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 171.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -103.54 130.12 50.89 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 119.462 1.028 . . . . 0.0 109.932 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.478 HD11 ' HG3' ' A' ' 42' ' ' ARG . 2.1 mm -122.0 131.92 72.08 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 O-C-N 125.219 1.575 . . . . 0.0 111.923 -177.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -144.41 129.54 18.62 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.09 19.68 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.229 -2.26 . . . . 0.0 110.781 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.6 21.7 60.77 Favored Glycine 0 N--CA 1.432 -1.627 0 C-N-CA 128.694 3.045 . . . . 0.0 117.513 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -114.88 142.82 46.06 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -85.88 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.502 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.8 mt -79.43 138.05 37.47 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 117.581 -1.199 . . . . 0.0 110.276 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -101.72 140.12 36.44 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 125.182 1.551 . . . . 0.0 109.933 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -48.01 -42.51 28.31 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -175.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.92 85.41 Favored Glycine 0 CA--C 1.49 -1.496 0 N-CA-C 116.195 1.238 . . . . 0.0 116.195 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 165.35 17.29 Favored 'General case' 0 C--O 1.25 1.107 0 O-C-N 119.838 -1.977 . . . . 0.0 108.001 176.536 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 53.1 p -104.43 164.87 11.43 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -36.15 79.78 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 m -64.06 -29.46 70.6 Favored 'General case' 0 C--O 1.267 1.998 0 C-N-CA 117.287 -1.765 . . . . 0.0 112.255 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.52 -39.58 70.69 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 122.421 1.105 . . . . 0.0 110.703 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -90.76 4.69 50.9 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.996 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.12 45.22 17.97 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 121.584 1.993 . . . . 0.0 111.201 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -88.76 116.55 30.59 Favored 'Isoleucine or valine' 0 C--O 1.267 1.999 0 CA-C-O 115.147 -2.359 . . . . 0.0 106.194 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -103.57 169.61 8.43 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 126.028 2.08 . . . . 0.0 109.334 -176.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 142.87 27.7 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 123.193 1.473 . . . . 0.0 109.168 -176.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.589 ' O ' HD12 ' B' ' 8' ' ' LEU . 17.1 mm-40 67.05 19.15 10.54 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 118.027 2.602 . . . . 0.0 118.027 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.17 159.55 34.45 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.444 HG21 HG21 ' B' ' 70' ' ' VAL . 0.8 OUTLIER -119.16 126.73 52.29 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.863 175.782 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.2 mt -103.23 154.52 19.25 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.851 -2.5 . . . . 0.0 105.631 175.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -105.57 135.66 46.57 Favored 'General case' 0 C--N 1.287 -2.112 0 O-C-N 127.3 2.875 . . . . 0.0 105.846 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.4 tp -106.95 115.75 30.72 Favored 'General case' 0 C--O 1.284 2.895 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.407 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.0 139.92 28.33 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 103.568 -2.752 . . . . 0.0 103.568 175.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.8 mt -96.1 138.83 33.14 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.247 0.546 . . . . 0.0 109.838 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.65 -169.7 2.37 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-O 113.148 -3.311 . . . . 0.0 105.605 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mt -134.0 48.48 2.34 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 125.942 2.027 . . . . 0.0 109.513 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -99.07 68.39 1.68 Allowed 'General case' 0 C--O 1.246 0.884 0 CA-C-N 113.706 -1.588 . . . . 0.0 108.91 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 127.95 137.28 4.4 Favored Glycine 0 C--O 1.246 0.868 0 CA-C-N 114.538 -1.21 . . . . 0.0 115.177 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.395 0 N-CA-C 108.313 -1.915 . . . . 0.0 108.313 179.502 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -91.02 138.44 31.6 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 127.111 2.757 . . . . 0.0 108.838 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.498 HD11 HD12 ' B' ' 15' ' ' LEU . 1.5 pp -131.13 163.06 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.3 0 CA-C-O 115.77 -2.062 . . . . 0.0 105.92 173.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -115.92 140.16 49.52 Favored 'General case' 0 N--CA 1.515 2.795 1 O-C-N 130.56 4.913 . . . . 0.0 108.613 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.83 114.05 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.855 175.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.19 127.69 41.44 Favored 'General case' 0 N--CA 1.503 2.177 1 O-C-N 129.164 4.04 . . . . 0.0 108.047 -178.071 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 7' ' ' THR . . . . . 0.647 HG22 ' O ' ' B' ' 11' ' ' LYS . 11.1 t -99.59 170.85 8.3 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 64' ' ' GLU . 28.3 mt -73.34 -7.04 49.92 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 124.137 0.898 . . . . 0.0 112.834 -178.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.595 ' H ' HG23 ' B' ' 7' ' ' THR . 0.2 OUTLIER -101.24 14.9 30.52 Favored 'General case' 0 N--CA 1.505 2.296 0 C-N-CA 115.724 -2.391 . . . . 0.0 111.916 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.3 16.74 80.19 Favored Glycine 0 C--N 1.296 -1.664 0 O-C-N 120.232 -1.543 . . . . 0.0 116.117 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.647 ' O ' HG22 ' B' ' 7' ' ' THR . 0.1 OUTLIER -96.28 137.8 34.82 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 174.85 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.79 131.91 55.46 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 126.363 2.289 . . . . 0.0 106.179 176.128 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.51 141.76 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 127.747 3.154 . . . . 0.0 109.15 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 29.3 p -101.18 139.95 36.16 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 116.931 -1.908 . . . . 0.0 108.408 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.498 HD12 HD11 ' B' ' 3' ' ' ILE . 20.1 mt -126.56 154.02 44.45 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 115.426 -2.226 . . . . 0.0 108.388 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -111.76 121.22 44.5 Favored 'General case' 0 N--CA 1.495 1.822 1 O-C-N 129.256 4.097 . . . . 0.0 103.551 174.056 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.15 170.65 15.7 Favored 'Isoleucine or valine' 0 C--O 1.252 1.212 0 O-C-N 127.768 3.167 . . . . 0.0 111.179 -177.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.05 144.64 38.1 Favored Pre-proline 0 C--N 1.313 -0.99 0 CA-C-N 112.008 -2.36 . . . . 0.0 106.346 174.566 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.83 -24.76 39.97 Favored 'Trans proline' 0 C--N 1.317 -1.115 0 C-N-CA 122.632 2.221 . . . . 0.0 111.606 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -79.81 -8.31 59.2 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.91 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.88 148.42 47.81 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.794 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.75 160.46 21.25 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.73 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.654 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.9 mt -61.4 -36.8 75.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 O-C-N 126.962 2.664 . . . . 0.0 110.408 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.794 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.13 -42.95 77.73 Favored 'General case' 0 C--O 1.253 1.274 0 O-C-N 120.399 -1.438 . . . . 0.0 110.972 176.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.43 -44.53 90.91 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 124.195 0.998 . . . . 0.0 111.421 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -58.51 -46.32 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.854 1.346 . . . . 0.0 109.025 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -60.83 -37.88 83.55 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.868 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.94 86.53 Favored 'General case' 0 C--O 1.278 2.568 0 O-C-N 123.365 0.416 . . . . 0.0 111.372 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -64.0 -37.46 87.49 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 120.379 -1.451 . . . . 0.0 110.859 175.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.71 -39.7 78.37 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -48.76 78.86 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 125.566 2.603 . . . . 0.0 108.98 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -41.71 66.73 Favored 'General case' 0 C--O 1.257 1.481 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.866 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 4.8 ttmt -93.41 -24.37 18.08 Favored 'General case' 0 C--O 1.28 2.701 0 N-CA-C 117.2 2.296 . . . . 0.0 117.2 -175.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.66 -6.28 8.05 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 122.963 2.62 . . . . 0.0 113.723 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.59 90.04 Favored Glycine 0 CA--C 1.476 -2.381 0 N-CA-C 118.762 2.265 . . . . 0.0 118.762 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.475 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 86.7 mt -79.92 125.02 82.86 Favored Pre-proline 0 C--O 1.242 0.687 0 C-N-CA 118.766 -1.174 . . . . 0.0 111.044 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 83.3 Cg_exo -57.19 137.01 79.82 Favored 'Trans proline' 0 C--O 1.255 1.371 0 C-N-CA 122.987 2.458 . . . . 0.0 110.824 178.328 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -57.2 -32.12 92.6 Favored 'Trans proline' 0 C--O 1.26 1.622 0 O-C-N 123.133 1.07 . . . . 0.0 113.396 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -15.7 63.66 Favored 'General case' 0 C--O 1.264 1.855 0 O-C-N 119.899 -1.75 . . . . 0.0 112.145 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.794 ' HB3' HD11 ' B' ' 71' ' ' LEU . 19.2 mm-40 -95.41 -10.54 29.67 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.493 -1.379 . . . . 0.0 112.23 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -84.84 129.63 34.78 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 124.271 1.986 . . . . 0.0 115.746 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 2.2 mmt180 -121.18 116.05 24.2 Favored 'General case' 0 C--O 1.3 3.719 0 N-CA-C 104.74 -2.319 . . . . 0.0 104.74 172.249 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.539 ' C ' HD13 ' B' ' 44' ' ' ILE . 13.7 mt -103.49 130.33 50.84 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 119.529 1.059 . . . . 0.0 109.958 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.539 HD13 ' C ' ' B' ' 43' ' ' LEU . 0.1 OUTLIER -122.03 131.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 O-C-N 125.164 1.54 . . . . 0.0 112.085 -177.665 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.973 ' O ' ' OH ' ' B' ' 59' ' ' TYR . 57.3 t80 -144.28 129.79 18.99 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.291 -2.115 . . . . 0.0 105.291 177.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.69 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 111.915 -2.402 . . . . 0.0 110.635 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.97 20.17 59.77 Favored Glycine 0 C--N 1.299 -1.526 0 C-N-CA 128.175 2.798 . . . . 0.0 117.293 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' ARG . . . . . 0.574 ' HB2' ' CZ ' ' B' ' 59' ' ' TYR . 25.1 mtt180 -109.97 143.78 39.45 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 115.412 -2.233 . . . . 0.0 110.95 174.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -87.17 130.34 34.58 Favored 'General case' 0 C--N 1.282 -2.366 0 N-CA-C 103.959 -2.608 . . . . 0.0 103.959 173.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 23' ' ' ILE . 5.5 mp -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 117.507 -1.235 . . . . 0.0 110.096 -175.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 0.654 ' O ' HD13 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -101.89 140.03 36.73 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.271 1.607 . . . . 0.0 109.903 -177.661 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.794 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.5 OUTLIER -48.19 -42.09 28.95 Favored 'General case' 0 C--O 1.263 1.765 0 N-CA-C 120.807 3.632 . . . . 0.0 120.807 -175.851 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.48 85.26 Favored Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 116.002 1.161 . . . . 0.0 116.002 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -85.64 165.24 17.17 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 120.181 -1.776 . . . . 0.0 107.966 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 43.4 p -104.24 164.43 11.73 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 177.03 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -36.46 79.52 Favored 'General case' 0 C--O 1.201 -1.49 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -29.77 70.96 Favored 'General case' 0 C--O 1.266 1.921 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.185 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -39.02 70.41 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.498 1.142 . . . . 0.0 110.809 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.973 ' OH ' ' O ' ' B' ' 45' ' ' PHE . 0.6 OUTLIER -91.09 4.44 52.14 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 117.648 -1.168 . . . . 0.0 112.931 179.147 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.11 45.22 18.0 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.644 2.02 . . . . 0.0 111.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 mt -88.68 116.27 30.06 Favored 'Isoleucine or valine' 0 C--O 1.269 2.114 0 CA-C-O 115.019 -2.419 . . . . 0.0 106.276 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 169.57 8.47 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 126.151 2.157 . . . . 0.0 109.716 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.11 143.0 28.58 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.176 1.465 . . . . 0.0 109.225 -176.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.14 19.07 10.44 Favored 'General case' 0 C--O 1.254 1.336 0 N-CA-C 117.8 2.519 . . . . 0.0 117.8 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.9 p -71.21 159.64 34.28 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.5 t -119.04 126.61 52.1 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 118.243 -0.885 . . . . 0.0 108.775 175.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 mt -103.15 154.61 19.12 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 114.685 -2.579 . . . . 0.0 105.714 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.68 135.84 46.37 Favored 'General case' 0 C--N 1.283 -2.286 0 O-C-N 127.572 3.045 . . . . 0.0 105.635 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tt -107.17 115.88 30.94 Favored 'General case' 0 C--O 1.284 2.872 0 CA-C-O 117.732 -1.128 . . . . 0.0 111.337 176.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.444 HG21 HG21 ' A' ' 66' ' ' THR . 24.4 t -108.14 139.85 28.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 175.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.794 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.5 0.37 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.082 0.468 . . . . 0.0 109.818 178.47 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.421 ' CB ' ' HA2' ' C' ' 101' ' ' GLY . 0.0 OUTLIER 64.55 102.66 0.04 OUTLIER 'General case' 0 C--N 1.276 -2.604 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.393 179.738 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.27 -87.57 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.821 0 O-C-N 125.729 1.893 . . . . 0.0 109.717 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -141.31 113.4 7.94 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 113.827 -1.533 . . . . 0.0 108.716 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.62 170.41 53.25 Favored Glycine 0 C--O 1.244 0.751 0 CA-C-N 114.768 -1.106 . . . . 0.0 115.145 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.476 0 CA-C-O 116.468 -2.296 . . . . 0.0 108.352 179.008 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 CA--C 1.512 -0.484 0 CA-C-O 121.92 0.866 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -158.5 -64.03 0.08 Allowed 'General case' 0 C--N 1.29 -2.007 0 O-C-N 119.127 -2.233 . . . . 0.0 110.97 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 mttm 55.65 103.6 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 126.753 2.021 . . . . 0.0 110.629 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.607 -178.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' C' ' 127' ' ' TYR . 0.1 OUTLIER -70.18 -39.69 75.1 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.647 0.737 . . . . 0.0 111.8 172.485 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.513 ' HB ' HG12 ' C' ' 49' ' ' ILE . 0.5 OUTLIER -144.29 136.05 21.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.247 1.419 . . . . 0.0 107.497 -178.201 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -144.28 148.03 34.31 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.541 165.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -160.96 155.29 23.13 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.159 0.912 . . . . 0.0 111.191 173.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -72.29 127.84 33.81 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.216 -1.356 . . . . 0.0 112.313 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-O 122.112 0.958 . . . . 0.0 110.088 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.84 25.21 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -109.14 -179.21 3.78 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.6 mtt -137.13 161.08 37.1 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' SER . . . . . 0.601 ' O ' HG22 ' C' ' 39' ' ' THR . 25.6 m -136.74 156.54 48.39 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.038 -1.465 . . . . 0.0 108.702 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mp -92.75 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -112.34 115.82 29.36 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.22 -116.04 8.62 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -113.97 14.56 18.47 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.369 -0.415 . . . . 0.0 109.962 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 30.1 p -112.04 122.53 48.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -172.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' VAL . . . . . 0.495 HG23 ' O ' ' C' ' 38' ' ' VAL . 27.6 m -76.17 120.07 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 174.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 39' ' ' THR . . . . . 0.601 HG22 ' O ' ' C' ' 32' ' ' SER . 1.3 t -124.12 119.31 26.51 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.17 -173.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.82 134.83 59.57 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 117.954 -0.898 . . . . 0.0 111.885 173.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -85.79 132.22 34.16 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 172.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.25 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -67.08 144.41 56.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -68.11 125.59 26.83 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.21 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.338 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mt -128.42 124.39 36.14 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 40.1 t -91.01 137.55 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.645 ' C ' HD13 ' C' ' 49' ' ' ILE . 10.1 p90 -151.94 157.82 42.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.982 0.896 . . . . 0.0 113.024 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.645 HD13 ' C ' ' C' ' 48' ' ' TYR . 0.5 OUTLIER -118.83 131.09 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 113.58 -1.645 . . . . 0.0 108.363 174.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.58 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 51' ' ' GLN . . . . . 0.519 ' CB ' ' OH ' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -100.16 122.08 42.43 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.305 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -84.11 171.1 13.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.237 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -10.53 59.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.306 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.69 7.53 14.61 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.031 171.011 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.78 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.428 1.491 . . . . 0.0 114.808 -177.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 61.4 mt -74.89 149.94 39.33 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 122.201 1.001 . . . . 0.0 113.008 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mt -102.26 129.11 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.143 -177.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.0 m170 -117.62 125.32 50.55 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 59' ' ' PHE . . . . . 0.549 ' CE2' HG13 ' C' ' 124' ' ' VAL . 3.4 m-85 -98.78 118.96 36.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 171.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -127.63 156.82 41.7 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -171.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -130.51 128.37 41.05 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.622 169.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 134.31 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.775 -176.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.24 115.32 13.61 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -64.01 -32.42 73.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 55.6 p -72.54 -46.15 55.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -174.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.42 -20.55 21.67 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.578 -176.658 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.66 2.72 61.22 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-O 119.708 -0.496 . . . . 0.0 113.713 -171.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -72.54 130.05 39.73 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.669 1.234 . . . . 0.0 113.107 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -84.23 109.11 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -94.48 -28.84 15.25 Favored 'General case' 0 C--O 1.206 -1.222 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.999 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.96 135.54 54.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.849 0.833 . . . . 0.0 109.436 177.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -155.05 103.32 2.38 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 104.515 -2.402 . . . . 0.0 104.515 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.04 123.25 45.23 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.285 -1.325 . . . . 0.0 109.236 -174.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 74' ' ' ILE . . . . . 0.419 ' C ' HD13 ' C' ' 75' ' ' ILE . 1.3 pp -75.86 124.31 33.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.401 1.096 . . . . 0.0 111.668 168.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.789 HG21 HD12 ' C' ' 128' ' ' LEU . 3.9 mm -122.98 130.32 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.607 -174.386 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -101.25 159.06 30.56 Favored Pre-proline 0 C--O 1.24 0.595 0 O-C-N 124.489 1.118 . . . . 0.0 110.899 173.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.36 133.95 58.66 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.916 2.411 . . . . 0.0 111.259 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.78 5.88 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 -175.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.4 -33.62 71.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 119.038 0.835 . . . . 0.0 109.647 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 168.22 27.67 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.442 -1.303 . . . . 0.0 113.605 -173.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -133.47 139.31 46.6 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.519 -1.673 . . . . 0.0 106.992 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.43 ' HB2' HG11 ' C' ' 124' ' ' VAL . 74.9 t80 -106.71 124.16 49.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -148.5 156.5 42.54 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 142.86 56.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.379 177.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -94.28 98.27 2.83 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -60.99 -32.0 91.91 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.786 2.187 . . . . 0.0 117.786 -167.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.1 8.65 34.48 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.931 -1.508 . . . . 0.0 112.225 -164.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 88' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 25.2 p -85.08 119.72 72.78 Favored Pre-proline 0 CA--C 1.515 -0.381 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -57.0 -19.81 34.16 Favored 'Trans proline' 0 C--N 1.346 0.443 0 O-C-N 122.982 0.991 . . . . 0.0 114.42 -173.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 88.5 p -65.59 -34.63 78.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.369 0.532 . . . . 0.0 110.036 178.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.58 12.92 64.88 Favored Glycine 0 CA--C 1.506 -0.511 0 O-C-N 123.989 0.806 . . . . 0.0 111.492 -172.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -120.93 17.1 11.77 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 31.8 t -97.01 133.41 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.152 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -125.0 151.79 45.08 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.479 1.737 . . . . 0.0 110.428 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.0 p -127.02 135.44 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -95.58 108.12 20.36 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 169.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 125.23 52.02 Favored 'General case' 0 CA--C 1.486 -1.509 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -171.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -84.84 115.72 22.9 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.142 0.901 . . . . 0.0 109.205 176.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -25.18 68.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.353 -169.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.27 115.23 28.98 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 173.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 101' ' ' GLY . . . . . 0.525 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.85 172.42 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -91.39 9.0 33.51 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.069 -0.665 . . . . 0.0 110.561 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -70.59 129.15 38.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.588 -165.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.02 141.86 46.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.919 175.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mp -124.62 126.2 45.38 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 171.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.92 143.65 30.82 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.698 1.249 . . . . 0.0 110.316 -177.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -137.04 156.72 48.06 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.297 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -131.44 126.57 35.4 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.413 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 2.5 mmt -62.65 137.81 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.306 -174.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -118.91 4.05 11.49 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.627 -1.169 . . . . 0.0 110.258 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.3 135.87 93.87 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.118 1.437 . . . . 0.0 108.671 172.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.31 -41.31 42.74 Favored 'Trans proline' 0 C--O 1.247 0.953 0 C-N-CA 117.539 -1.174 . . . . 0.0 112.434 -174.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.12 146.94 24.24 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 121.148 0.499 . . . . 0.0 110.536 173.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.3 t -83.39 -9.31 59.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.216 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -33.81 55.9 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.17 5.79 37.99 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -174.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -56.92 -48.74 77.54 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.926 -1.11 . . . . 0.0 110.312 -177.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -32.2 70.49 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.56 -173.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -43.99 80.01 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.59 -45.87 77.33 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.952 -1.093 . . . . 0.0 112.314 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -43.05 97.98 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 121.657 0.742 . . . . 0.0 110.291 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.54 98.63 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.05 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -64.16 -42.33 96.78 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 124' ' ' VAL . . . . . 0.549 HG13 ' CE2' ' C' ' 59' ' ' PHE . 1.8 t -52.31 -51.91 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.41 175.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.37 -39.48 87.41 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -46.03 82.19 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.44 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 127' ' ' TYR . . . . . 0.598 ' HD1' ' HB ' ' C' ' 49' ' ' ILE . 11.7 t80 -79.03 -24.56 43.56 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.436 -0.905 . . . . 0.0 112.405 -174.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.789 HD12 HG21 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -78.96 -36.15 42.02 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.765 -0.774 . . . . 0.0 112.278 174.477 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 129' ' ' ASN . . . . . 0.614 ' HB3' HD23 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.69 -11.1 14.45 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -168.577 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -141.17 71.8 27.44 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 169.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -82.85 170.59 12.45 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.65 1.566 . . . . 0.0 111.644 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--N 1.289 -2.589 0 C-N-CA 122.544 2.162 . . . . 0.0 111.597 179.75 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.932 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -91.1 138.23 31.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 126.841 2.588 . . . . 0.0 108.858 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.598 HD11 HD22 ' A' ' 15' ' ' LEU . 2.1 pp -131.31 163.01 38.26 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.387 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 173.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.96 140.16 49.53 Favored 'General case' 0 N--CA 1.513 2.676 1 O-C-N 130.557 4.911 . . . . 0.0 108.773 179.696 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -118.03 114.25 44.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-O 113.422 -3.18 . . . . 0.0 105.614 175.77 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.19 127.5 41.29 Favored 'General case' 0 N--CA 1.504 2.265 1 O-C-N 129.269 4.105 . . . . 0.0 107.96 -178.118 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.62 170.73 8.38 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.883 -1.056 . . . . 0.0 109.325 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.413 HD21 ' OD1' ' C' ' 78' ' ' ASP . 0.0 OUTLIER -73.28 -7.0 49.63 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.093 0.871 . . . . 0.0 112.653 -177.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -101.58 15.04 30.14 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.634 -2.427 . . . . 0.0 111.945 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.71 80.14 Favored Glycine 0 C--N 1.297 -1.592 0 O-C-N 120.262 -1.524 . . . . 0.0 116.057 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -96.44 138.14 34.47 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 174.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.9 p -119.98 131.66 55.24 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 126.608 2.443 . . . . 0.0 105.93 176.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' HB ' HG13 ' A' ' 5' ' ' VAL . 17.8 mm -109.57 141.93 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 127.637 3.086 . . . . 0.0 108.823 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -101.31 139.64 36.71 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 117.19 -1.804 . . . . 0.0 108.237 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -126.38 154.09 44.05 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 115.449 -2.215 . . . . 0.0 108.29 -179.215 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -111.86 121.02 43.91 Favored 'General case' 0 N--CA 1.5 2.028 1 O-C-N 129.215 4.072 . . . . 0.0 103.608 173.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -138.89 170.62 16.01 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 O-C-N 127.589 3.056 . . . . 0.0 111.297 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -119.93 144.5 37.58 Favored Pre-proline 0 C--N 1.315 -0.931 0 CA-C-N 112.423 -2.171 . . . . 0.0 106.342 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.93 -24.42 39.17 Favored 'Trans proline' 0 C--N 1.321 -0.919 0 C-N-CA 122.553 2.169 . . . . 0.0 111.979 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 p -79.95 -8.25 59.23 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 117.919 -1.039 . . . . 0.0 110.838 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.471 ' OD2' HG12 ' A' ' 26' ' ' VAL . 17.0 p-10 -71.0 148.45 47.62 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 117.372 -1.731 . . . . 0.0 109.86 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.661 ' O ' HG13 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -83.72 160.46 21.28 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.808 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.61 ' O ' HG22 ' A' ' 26' ' ' VAL . 21.0 mm -61.39 -37.15 77.04 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 O-C-N 127.17 2.794 . . . . 0.0 110.233 175.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -40.08 78.25 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.317 -0.865 . . . . 0.0 110.813 177.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.32 -41.98 80.03 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 121.967 -0.458 . . . . 0.0 110.937 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 22' ' ' THR . 0.9 OUTLIER -58.22 -46.4 88.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 O-C-N 124.345 1.028 . . . . 0.0 109.226 178.166 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 84.0 mttt -60.85 -37.95 83.85 Favored 'General case' 0 C--O 1.259 1.585 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.7 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.05 87.02 Favored 'General case' 0 C--O 1.277 2.512 0 CA-C-N 118.197 0.453 . . . . 0.0 111.13 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -37.45 87.48 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-O 123.081 1.42 . . . . 0.0 110.729 176.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.8 mt -70.01 -39.59 77.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.21 -48.73 78.71 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 125.547 2.594 . . . . 0.0 109.104 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -41.67 65.71 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.51 -1.677 . . . . 0.0 111.96 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 10.5 tttt -93.63 -24.33 17.94 Favored 'General case' 0 C--O 1.281 2.75 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 -175.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.3 -6.53 8.24 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 123.108 2.685 . . . . 0.0 114.276 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.7 89.97 Favored Glycine 0 CA--C 1.479 -2.209 0 N-CA-C 118.931 2.332 . . . . 0.0 118.931 176.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.454 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 31.3 mt -79.77 124.76 83.29 Favored Pre-proline 0 C--O 1.243 0.716 0 C-N-CA 118.876 -1.129 . . . . 0.0 110.913 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.8 Cg_exo -56.9 136.84 78.9 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.249 2.633 . . . . 0.0 110.827 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.1 Cg_exo -57.1 -32.0 91.99 Favored 'Trans proline' 0 C--O 1.264 1.782 0 O-C-N 123.009 1.005 . . . . 0.0 113.649 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -68.46 -15.33 63.51 Favored 'General case' 0 C--O 1.261 1.692 0 O-C-N 119.806 -1.809 . . . . 0.0 112.247 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -96.11 -10.2 28.88 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.689 -1.257 . . . . 0.0 111.954 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -84.91 129.59 34.78 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 124.351 2.024 . . . . 0.0 115.767 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.05 116.17 24.53 Favored 'General case' 0 C--O 1.299 3.688 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 171.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -103.5 130.12 50.81 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 119.501 1.046 . . . . 0.0 109.968 -177.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.408 HD11 ' HD2' ' C' ' 76' ' ' PHE . 0.9 OUTLIER -122.05 131.92 72.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 O-C-N 125.136 1.522 . . . . 0.0 111.797 -177.465 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HZ ' ' HG ' ' A' ' 65' ' ' SER . 10.1 t80 -144.48 129.52 18.53 Favored 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.547 ' H ' ' HE1' ' C' ' 98' ' ' PHE . . . 48.21 46.08 19.87 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 112.28 -2.236 . . . . 0.0 110.723 177.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.68 21.72 60.98 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 128.653 3.025 . . . . 0.0 117.449 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 46' ' ' ALA . 9.9 mtmt -115.05 142.76 46.21 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 177.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.79 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.527 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.48 138.05 37.43 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 117.61 -1.186 . . . . 0.0 110.204 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -101.81 140.12 36.52 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.036 1.46 . . . . 0.0 109.996 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -47.92 -42.66 27.78 Favored 'General case' 0 C--O 1.263 1.774 0 N-CA-C 120.781 3.622 . . . . 0.0 120.781 -175.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.53 -8.94 85.48 Favored Glycine 0 CA--C 1.491 -1.45 0 N-CA-C 116.204 1.242 . . . . 0.0 116.204 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -85.39 165.35 17.29 Favored 'General case' 0 C--O 1.251 1.174 0 O-C-N 119.858 -1.966 . . . . 0.0 108.017 176.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.0 p -104.49 164.81 11.49 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 176.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.524 ' CD2' HD13 ' A' ' 61' ' ' ILE . 26.8 mt -61.5 -36.02 79.33 Favored 'General case' 0 C--O 1.201 -1.453 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -64.31 -29.37 70.46 Favored 'General case' 0 C--O 1.267 2.013 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.12 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.55 -39.53 70.72 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.457 1.122 . . . . 0.0 110.757 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -90.77 4.63 51.1 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 117.782 -1.104 . . . . 0.0 113.044 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 m120 58.17 45.14 17.94 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 121.544 1.975 . . . . 0.0 111.193 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.524 HD13 ' CD2' ' A' ' 56' ' ' LEU . 5.0 mt -88.7 116.5 30.47 Favored 'Isoleucine or valine' 0 C--O 1.267 2.021 0 CA-C-O 115.124 -2.37 . . . . 0.0 106.247 175.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.56 169.7 8.38 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 126.111 2.132 . . . . 0.0 109.359 -176.685 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.9 142.94 27.67 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.249 1.499 . . . . 0.0 109.145 -176.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' HD22 ' B' ' 8' ' ' LEU . 1.0 OUTLIER 67.0 19.31 10.58 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 117.966 2.58 . . . . 0.0 117.966 179.381 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.462 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 1.1 m -71.25 159.58 34.37 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 174.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.588 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.6 OUTLIER -119.13 126.73 52.3 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 118.17 -0.919 . . . . 0.0 108.849 175.774 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.19 154.59 19.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 114.769 -2.538 . . . . 0.0 105.686 175.114 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -105.7 135.64 46.76 Favored 'General case' 0 C--N 1.287 -2.151 0 O-C-N 127.342 2.901 . . . . 0.0 105.813 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.4 tp -106.85 115.87 30.93 Favored 'General case' 0 C--O 1.286 2.984 0 CA-C-O 117.563 -1.208 . . . . 0.0 111.396 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.12 139.91 28.55 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 103.5 -2.778 . . . . 0.0 103.5 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mp -96.1 138.96 32.97 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.205 0.526 . . . . 0.0 109.82 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -68.7 81.43 0.28 Allowed 'General case' 0 C--N 1.279 -2.497 0 CA-C-O 113.162 -3.304 . . . . 0.0 105.518 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.71 -71.95 0.04 OUTLIER 'General case' 0 C--N 1.289 -2.035 0 O-C-N 125.921 2.013 . . . . 0.0 109.642 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -38.96 62.63 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.686 -1.597 . . . . 0.0 108.876 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.5 59.89 0.34 Allowed Glycine 0 C--O 1.246 0.891 0 CA-C-N 114.631 -1.168 . . . . 0.0 115.201 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.452 0 N-CA-C 108.274 -1.93 . . . . 0.0 108.274 179.406 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -91.0 138.52 31.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 127.112 2.758 . . . . 0.0 108.72 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' B' ' 65' ' ' SER . 7.8 tt -131.21 163.0 38.25 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.323 0 CA-C-O 115.735 -2.079 . . . . 0.0 105.917 173.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.88 140.16 49.51 Favored 'General case' 0 N--CA 1.514 2.74 1 O-C-N 130.669 4.981 . . . . 0.0 108.625 179.784 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.596 ' HA ' ' HG ' ' B' ' 67' ' ' LEU . 0.1 OUTLIER -117.9 114.04 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.852 175.486 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -95.11 127.59 41.28 Favored 'General case' 0 N--CA 1.503 2.188 1 O-C-N 129.228 4.08 . . . . 0.0 108.185 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p -99.51 170.88 8.3 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.78 -1.105 . . . . 0.0 109.298 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.588 HD23 ' OG1' ' A' ' 66' ' ' THR . 0.0 OUTLIER -73.37 -6.97 49.64 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 124.077 0.861 . . . . 0.0 112.811 -178.357 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.28 14.79 30.87 Favored 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 115.652 -2.419 . . . . 0.0 111.909 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.53 16.61 80.09 Favored Glycine 0 C--N 1.295 -1.73 0 O-C-N 120.167 -1.583 . . . . 0.0 115.977 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -96.21 137.92 34.58 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -119.85 131.84 55.4 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 126.328 2.268 . . . . 0.0 106.254 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.46 HG23 HG13 ' B' ' 5' ' ' VAL . 0.1 OUTLIER -109.51 141.8 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.726 3.141 . . . . 0.0 109.089 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 14' ' ' THR . . . . . 0.441 ' N ' HD12 ' B' ' 13' ' ' ILE . 9.2 m -101.17 139.94 36.16 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 117.035 -1.866 . . . . 0.0 108.324 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.9 mt -126.57 154.06 44.4 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 115.525 -2.179 . . . . 0.0 108.384 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.84 121.13 44.21 Favored 'General case' 0 N--CA 1.495 1.776 1 O-C-N 129.172 4.045 . . . . 0.0 103.518 174.094 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 17' ' ' VAL . . . . . 0.436 HG13 ' N ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -139.12 170.6 15.8 Favored 'Isoleucine or valine' 0 C--O 1.254 1.325 0 O-C-N 127.936 3.272 . . . . 0.0 111.217 -177.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 18' ' ' GLU . . . . . 0.436 ' N ' HG13 ' B' ' 17' ' ' VAL . 1.6 mp0 -119.96 144.51 37.65 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 112.112 -2.313 . . . . 0.0 106.426 174.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.83 -24.66 39.5 Favored 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 122.697 2.264 . . . . 0.0 111.562 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.3 p -79.93 -8.28 59.24 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.911 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.91 148.44 47.75 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 117.287 -1.765 . . . . 0.0 109.817 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.79 160.58 21.19 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 1.252 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.41 -36.81 75.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 126.928 2.643 . . . . 0.0 110.413 175.815 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -42.84 77.61 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 120.399 -1.438 . . . . 0.0 111.002 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -64.59 -44.5 90.42 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 124.191 0.996 . . . . 0.0 111.322 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -46.22 90.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.805 1.316 . . . . 0.0 109.046 178.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.76 -37.96 83.6 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.871 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -38.02 86.73 Favored 'General case' 0 C--O 1.277 2.536 0 O-C-N 123.319 0.387 . . . . 0.0 111.297 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -64.01 -37.46 87.51 Favored 'General case' 0 C--O 1.254 1.335 0 CA-C-O 122.97 1.366 . . . . 0.0 110.833 175.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.448 HD13 ' CD1' ' B' ' 69' ' ' LEU . 0.4 OUTLIER -69.68 -39.71 78.44 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -62.02 -48.86 78.41 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 125.518 2.58 . . . . 0.0 108.959 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -41.81 66.21 Favored 'General case' 0 C--O 1.257 1.484 0 CA-C-N 113.617 -1.629 . . . . 0.0 111.862 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.0 OUTLIER -93.4 -24.35 18.1 Favored 'General case' 0 C--O 1.28 2.704 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -175.842 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -123.66 -6.38 8.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 122.927 2.603 . . . . 0.0 113.771 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.6 90.01 Favored Glycine 0 CA--C 1.477 -2.301 0 N-CA-C 118.693 2.237 . . . . 0.0 118.693 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.498 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 12.4 mm -79.8 125.15 82.83 Favored Pre-proline 0 C--O 1.243 0.731 0 C-N-CA 118.64 -1.224 . . . . 0.0 111.111 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.2 Cg_exo -57.23 137.0 79.76 Favored 'Trans proline' 0 C--O 1.256 1.393 0 C-N-CA 122.961 2.441 . . . . 0.0 110.885 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 52.9 Cg_exo -57.11 -32.41 93.23 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 123.066 1.035 . . . . 0.0 113.33 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -15.51 63.61 Favored 'General case' 0 C--O 1.265 1.901 0 O-C-N 120.049 -1.657 . . . . 0.0 112.271 -177.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.662 ' HB3' HD21 ' B' ' 71' ' ' LEU . 14.7 mt-30 -95.57 -10.57 29.21 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.483 -1.386 . . . . 0.0 112.176 178.458 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -84.84 129.59 34.79 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 124.18 1.943 . . . . 0.0 115.742 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -121.08 116.09 24.35 Favored 'General case' 0 C--O 1.298 3.641 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 172.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 mt -103.6 130.3 51.01 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.504 1.047 . . . . 0.0 109.927 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.509 ' C ' ' CD2' ' B' ' 45' ' ' PHE . 4.3 mp -122.07 131.59 72.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 O-C-N 125.149 1.531 . . . . 0.0 111.982 -177.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' PHE . . . . . 0.729 ' N ' ' CD2' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.17 129.8 19.14 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 177.453 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.9 19.64 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 111.981 -2.372 . . . . 0.0 110.66 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.01 20.09 59.79 Favored Glycine 0 C--N 1.299 -1.502 0 C-N-CA 128.151 2.786 . . . . 0.0 117.355 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.89 143.83 39.25 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 115.342 -2.266 . . . . 0.0 110.94 174.242 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.09 130.34 34.54 Favored 'General case' 0 C--N 1.28 -2.443 0 N-CA-C 103.961 -2.607 . . . . 0.0 103.961 173.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' B' ' 45' ' ' PHE . 36.0 tp -79.59 138.34 37.41 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 117.553 -1.213 . . . . 0.0 110.112 -175.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLU . . . . . 1.252 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -101.82 140.02 36.67 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 125.23 1.581 . . . . 0.0 110.022 -177.697 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.903 ' HA ' HG12 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -48.3 -42.09 29.97 Favored 'General case' 0 C--O 1.261 1.71 0 N-CA-C 120.769 3.618 . . . . 0.0 120.769 -175.724 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.17 -8.48 85.39 Favored Glycine 0 CA--C 1.493 -1.319 0 N-CA-C 116.0 1.16 . . . . 0.0 116.0 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' ARG . . . . . 0.807 ' O ' HG22 ' B' ' 23' ' ' ILE . 0.9 OUTLIER -85.63 165.36 17.08 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.133 -1.804 . . . . 0.0 107.973 176.394 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 23.5 p -104.47 164.57 11.65 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 177.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -36.4 79.62 Favored 'General case' 0 C--O 1.201 -1.459 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -63.7 -29.66 70.86 Favored 'General case' 0 C--O 1.267 1.982 0 C-N-CA 117.321 -1.752 . . . . 0.0 112.174 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -55.76 -38.99 70.57 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 122.562 1.172 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.578 ' HB3' HD11 ' B' ' 61' ' ' ILE . 4.0 m-85 -91.11 4.48 52.07 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 117.537 -1.221 . . . . 0.0 112.873 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.94 45.43 18.22 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 121.758 2.072 . . . . 0.0 111.244 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.578 HD11 ' HB3' ' B' ' 59' ' ' TYR . 14.8 mm -88.8 116.25 30.11 Favored 'Isoleucine or valine' 0 C--O 1.27 2.157 0 CA-C-O 115.122 -2.371 . . . . 0.0 106.263 175.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.38 169.63 8.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 126.103 2.127 . . . . 0.0 109.673 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 142.87 28.42 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.102 1.429 . . . . 0.0 109.246 -176.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.05 19.17 10.54 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 117.834 2.531 . . . . 0.0 117.834 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' SER . . . . . 0.428 ' O ' ' CG1' ' B' ' 3' ' ' ILE . 1.9 t -71.2 159.66 34.25 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 174.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -119.1 126.61 52.04 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 118.21 -0.9 . . . . 0.0 108.828 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 67' ' ' LEU . . . . . 0.596 ' HG ' ' HA ' ' B' ' 5' ' ' VAL . 3.3 pp -103.16 154.54 19.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 114.737 -2.554 . . . . 0.0 105.702 175.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.407 ' C ' HD12 ' B' ' 67' ' ' LEU . 3.3 m80 -105.56 135.91 46.11 Favored 'General case' 0 C--N 1.283 -2.291 0 O-C-N 127.608 3.067 . . . . 0.0 105.691 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' LEU . . . . . 0.448 ' CD1' HD13 ' B' ' 30' ' ' ILE . 0.5 OUTLIER -107.17 115.82 30.84 Favored 'General case' 0 C--O 1.284 2.884 0 CA-C-O 117.551 -1.214 . . . . 0.0 111.459 176.574 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 87.3 t -108.17 139.81 29.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.662 HD21 ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -95.97 -83.51 0.37 Allowed 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.072 0.463 . . . . 0.0 109.814 178.374 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 45.1 ttp85 166.55 -78.49 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.574 0 CA-C-O 113.432 -3.175 . . . . 0.0 105.529 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.8 mp 47.69 72.02 0.29 Allowed 'General case' 0 C--N 1.293 -1.854 0 O-C-N 125.669 1.856 . . . . 0.0 109.726 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.36 -176.52 0.16 Allowed 'General case' 0 C--O 1.243 0.715 0 CA-C-N 113.882 -1.508 . . . . 0.0 108.766 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -171.34 31.96 0.13 Allowed Glycine 0 C--O 1.244 0.775 0 CA-C-N 114.824 -1.08 . . . . 0.0 115.194 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.519 0 CA-C-O 116.546 -2.252 . . . . 0.0 108.317 178.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.512 -0.504 0 CA-C-O 121.94 0.876 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 t30 58.32 82.52 0.13 Allowed 'General case' 0 C--N 1.289 -2.04 0 O-C-N 119.091 -2.256 . . . . 0.0 110.971 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.34 160.42 38.79 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 126.859 2.064 . . . . 0.0 110.708 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -89.12 137.93 31.88 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.589 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.19 -39.65 75.09 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.635 0.731 . . . . 0.0 111.8 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 t -144.36 136.02 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 107.47 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -144.26 148.08 34.4 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.557 165.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -161.03 155.22 22.87 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.243 0.964 . . . . 0.0 111.198 173.124 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.29 127.79 33.65 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.351 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.14 147.63 6.76 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.062 0.934 . . . . 0.0 110.098 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.92 164.82 25.21 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 108.301 -1.92 . . . . 0.0 108.301 175.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.08 -179.25 3.8 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 31' ' ' MET . . . . . 0.757 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.5 mpt? -137.12 161.02 37.26 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 32' ' ' SER . . . . . 0.591 ' O ' HG22 ' C' ' 39' ' ' THR . 0.5 OUTLIER -136.66 156.56 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.079 -1.448 . . . . 0.0 108.743 177.383 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.75 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.04 8.6 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -169.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.01 14.6 18.43 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.383 -0.409 . . . . 0.0 109.995 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 60.0 m -112.02 122.47 47.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 91.1 t -76.05 120.02 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' THR . . . . . 0.591 HG22 ' O ' ' C' ' 32' ' ' SER . 1.2 t -124.09 119.29 26.55 Favored Pre-proline 0 C--O 1.245 0.852 0 C-N-CA 122.522 0.329 . . . . 0.0 110.193 -173.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 40' ' ' PRO . . . . . 0.757 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 31.8 Cg_exo -59.84 134.76 59.06 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 CA-C-O 122.348 0.895 . . . . 0.0 111.865 173.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -85.68 132.19 34.2 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 -11.26 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -172.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.97 144.41 56.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -173.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -68.18 125.58 26.84 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 171.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' GLY . . . . . 0.448 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.24 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.173 1.429 . . . . 0.0 115.377 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 14.5 tp -128.38 124.36 36.15 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 45.5 t -90.96 137.55 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 164.619 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.506 ' O ' HD13 ' C' ' 49' ' ' ILE . 19.0 p90 -151.9 157.73 42.22 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.973 0.892 . . . . 0.0 113.015 175.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.506 HD13 ' O ' ' C' ' 48' ' ' TYR . 5.5 mm -118.76 131.1 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.349 174.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -134.02 137.69 44.88 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -100.2 122.01 42.35 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 57.0 p -84.03 171.12 13.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.307 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.46 -10.55 59.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -82.63 7.36 14.92 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 121.275 -0.17 . . . . 0.0 110.981 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 33.9 t 73.87 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.417 1.487 . . . . 0.0 114.808 -177.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 31.3 mt -74.96 150.02 39.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 119.172 -1.011 . . . . 0.0 113.048 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.25 129.1 54.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.145 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 7.3 m-70 -117.66 125.26 50.4 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -176.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -98.69 118.96 36.58 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 171.191 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 39.7 m -127.66 156.84 41.71 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 61' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.47 128.21 40.79 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.587 -1.642 . . . . 0.0 108.745 169.284 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.6 134.33 55.29 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.804 -176.348 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -74.18 115.27 13.48 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 173.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -63.94 -32.49 74.05 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 65' ' ' THR . . . . . 0.465 HG23 ' N ' ' C' ' 66' ' ' SER . 5.2 t -72.45 -46.17 56.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -175.043 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 66' ' ' SER . . . . . 0.465 ' N ' HG23 ' C' ' 65' ' ' THR . 0.1 OUTLIER -91.43 -20.54 21.68 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.497 -176.629 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 2.6 60.85 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.668 -0.518 . . . . 0.0 113.677 -171.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -72.44 130.0 39.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.724 1.262 . . . . 0.0 113.194 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 17.6 t -84.18 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.45 -28.92 15.22 Favored 'General case' 0 C--O 1.206 -1.232 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.98 -171.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -121.95 135.54 54.87 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.778 0.799 . . . . 0.0 109.413 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.98 103.32 2.39 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 tp -118.04 123.28 45.28 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.287 -174.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.89 124.28 33.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.392 1.091 . . . . 0.0 111.715 168.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.99 130.31 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.401 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.635 -174.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 76' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' C' ' 79' ' ' ASP . 8.6 m-85 -101.26 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.321 1.013 . . . . 0.0 110.885 173.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.25 133.86 57.87 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.962 2.441 . . . . 0.0 111.31 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 78' ' ' ASP . . . . . 0.413 ' OD1' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER 69.55 6.74 5.86 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 -175.69 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 79' ' ' ASP . . . . . 0.599 ' O ' ' CD2' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -70.4 -33.63 71.6 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.975 0.807 . . . . 0.0 109.558 176.863 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' C' ' 97' ' ' LYS . 1.7 p -154.86 168.2 27.72 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.651 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -133.43 139.34 46.67 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.534 -1.666 . . . . 0.0 106.998 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -106.75 124.14 49.18 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -148.5 156.47 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -67.75 142.81 56.14 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.416 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 73.6 t -94.22 98.43 2.91 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 171.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -61.12 -31.96 90.97 Favored 'Trans proline' 0 N--CA 1.476 0.478 0 N-CA-C 117.747 2.172 . . . . 0.0 117.747 -167.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -91.07 8.66 34.36 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.915 -1.514 . . . . 0.0 112.202 -164.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.14 119.63 72.64 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 174.513 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.91 -19.88 33.85 Favored 'Trans proline' 0 C--N 1.347 0.462 0 O-C-N 123.005 1.003 . . . . 0.0 114.456 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -34.66 78.79 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.378 0.535 . . . . 0.0 110.071 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.04 64.87 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.528 -172.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -120.99 17.08 11.72 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 70.1 t -97.05 133.38 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 173.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -124.97 151.79 45.03 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.463 1.727 . . . . 0.0 110.398 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 1.6 m -127.02 135.44 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 tt -95.47 108.08 20.28 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 169.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 97' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' C' ' 80' ' ' CYS . 0.0 OUTLIER -109.17 125.16 51.91 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -171.143 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.777 ' CD1' ' O ' ' C' ' 100' ' ' ALA . 11.8 t80 -84.85 115.66 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.154 0.909 . . . . 0.0 109.209 176.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -63.43 -25.07 68.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.432 -169.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 100' ' ' ALA . . . . . 0.777 ' O ' ' CD1' ' C' ' 98' ' ' PHE . . . -111.33 115.13 28.78 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.92 172.39 27.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -91.38 9.08 33.13 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.026 -0.69 . . . . 0.0 110.551 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -70.66 129.17 38.47 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 117.935 -1.506 . . . . 0.0 110.56 -165.046 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.73 46.17 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.938 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -124.5 126.21 45.49 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 106' ' ' PHE . . . . . 0.439 ' C ' ' SD ' ' C' ' 31' ' ' MET . 2.2 m-85 -100.94 143.68 30.79 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 124.698 1.249 . . . . 0.0 110.281 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -137.09 156.68 48.08 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.27 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.48 126.53 35.24 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.408 175.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.6 137.74 58.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.272 -174.705 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -118.89 3.99 11.51 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.256 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.19 135.87 93.69 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.117 1.436 . . . . 0.0 108.703 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.32 -41.34 42.48 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.561 -1.16 . . . . 0.0 112.44 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.11 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.647 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.7 t -83.39 -9.31 59.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.216 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -33.81 55.9 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -103.24 5.82 37.8 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -174.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -56.8 -48.86 76.99 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.309 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -32.27 70.71 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.556 -173.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -44.08 80.3 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 175.468 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -55.58 -45.88 77.31 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.025 -1.047 . . . . 0.0 112.355 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -43.04 97.8 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.677 0.751 . . . . 0.0 110.352 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -43.44 98.84 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.086 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -64.23 -42.37 96.59 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 40.9 t -52.23 -51.9 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.452 175.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 125' ' ' ASN . . . . . 0.518 ' HA ' HD23 ' C' ' 128' ' ' LEU . 22.7 m-20 -60.41 -39.5 87.62 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -46.1 81.94 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.437 -178.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -78.95 -24.45 43.91 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.495 -0.882 . . . . 0.0 112.44 -174.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.0 -36.18 41.67 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 119.796 -0.761 . . . . 0.0 112.243 174.429 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 129' ' ' ASN . . . . . 0.465 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 38.1 t30 -110.71 -11.12 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -168.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -141.23 71.92 27.1 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 169.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -78.98 167.88 21.44 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.677 1.585 . . . . 0.0 111.631 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 C--N 1.291 -2.489 0 C-N-CA 122.498 2.132 . . . . 0.0 111.608 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.7 mmt . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -91.12 138.22 31.77 Favored 'General case' 0 C--O 1.264 1.846 0 O-C-N 126.775 2.547 . . . . 0.0 108.865 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -131.25 163.05 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.361 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.483 ' CE1' HG22 ' A' ' 14' ' ' THR . 0.3 OUTLIER -115.98 140.22 49.47 Favored 'General case' 0 N--CA 1.513 2.697 1 O-C-N 130.564 4.915 . . . . 0.0 108.75 179.688 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -118.09 114.21 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-O 113.35 -3.214 . . . . 0.0 105.61 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -95.11 127.55 41.26 Favored 'General case' 0 N--CA 1.506 2.369 1 O-C-N 129.408 4.192 . . . . 0.0 107.906 -178.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -99.61 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.369 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.31 -7.04 49.87 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 124.144 0.902 . . . . 0.0 112.701 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -101.54 15.05 30.1 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.654 -2.418 . . . . 0.0 111.998 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 16.81 80.16 Favored Glycine 0 C--N 1.296 -1.647 0 O-C-N 120.35 -1.469 . . . . 0.0 116.081 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 138.1 34.6 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 174.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.99 131.58 55.2 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 126.652 2.47 . . . . 0.0 105.907 176.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.5 142.03 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 127.653 3.096 . . . . 0.0 108.911 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.483 HG22 ' CE1' ' A' ' 4' ' ' PHE . 1.2 p -101.41 139.74 36.66 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 117.157 -1.817 . . . . 0.0 108.188 178.187 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD21 HD13 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -126.49 154.03 44.32 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 115.408 -2.234 . . . . 0.0 108.245 -179.149 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -111.82 120.97 43.76 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.28 4.112 . . . . 0.0 103.781 173.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.9 170.69 15.91 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 O-C-N 127.634 3.083 . . . . 0.0 111.111 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.98 144.43 37.51 Favored Pre-proline 0 C--N 1.314 -0.944 0 CA-C-N 112.317 -2.22 . . . . 0.0 106.328 174.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -55.0 -24.28 39.0 Favored 'Trans proline' 0 C--N 1.32 -0.974 0 C-N-CA 122.537 2.158 . . . . 0.0 111.973 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -80.04 -8.17 59.23 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.925 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.09 148.5 47.42 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 117.392 -1.723 . . . . 0.0 109.722 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.73 160.48 21.27 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.81 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 1.252 HG21 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.43 -37.13 77.02 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 O-C-N 127.172 2.795 . . . . 0.0 110.272 175.796 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -40.19 78.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.363 -0.835 . . . . 0.0 110.706 177.005 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.29 -41.92 80.24 Favored 'General case' 0 C--O 1.262 1.762 0 O-C-N 121.809 -0.557 . . . . 0.0 110.949 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.27 -46.39 88.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 O-C-N 124.425 1.078 . . . . 0.0 109.173 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.818 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 19.4 mtmt -60.92 -37.96 84.11 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 118.806 -0.616 . . . . 0.0 110.577 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.623 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.08 -38.17 87.61 Favored 'General case' 0 C--O 1.276 2.499 0 CA-C-N 118.227 0.467 . . . . 0.0 111.125 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -37.48 87.58 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 120.438 -1.414 . . . . 0.0 110.676 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.416 HD13 HD21 ' A' ' 15' ' ' LEU . 15.6 mm -69.96 -39.56 77.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.13 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 1.193 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -62.25 -48.68 78.86 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 125.498 2.57 . . . . 0.0 109.101 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -41.78 65.92 Favored 'General case' 0 C--O 1.254 1.302 0 CA-C-N 113.491 -1.686 . . . . 0.0 111.891 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -93.59 -24.21 18.02 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 -175.803 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -123.47 -6.41 8.15 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 123.147 2.703 . . . . 0.0 114.241 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.7 89.97 Favored Glycine 0 CA--C 1.478 -2.27 0 N-CA-C 118.899 2.32 . . . . 0.0 118.899 176.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.193 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 16.8 mm -79.78 124.76 83.27 Favored Pre-proline 0 C--O 1.244 0.807 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.97 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.8 Cg_exo -56.94 136.84 79.0 Favored 'Trans proline' 0 C--O 1.258 1.513 0 C-N-CA 123.287 2.658 . . . . 0.0 110.863 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.785 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 27.2 Cg_exo -57.13 -31.94 91.91 Favored 'Trans proline' 0 C--O 1.262 1.724 0 O-C-N 122.993 0.996 . . . . 0.0 113.676 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.53 -15.29 63.49 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 119.959 -1.713 . . . . 0.0 112.226 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.93 -10.37 28.89 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.674 -1.266 . . . . 0.0 112.059 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -84.81 129.55 34.8 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 124.378 2.037 . . . . 0.0 115.711 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.421 ' HB2' HG13 ' A' ' 70' ' ' VAL . 7.3 mtp180 -120.97 116.1 24.44 Favored 'General case' 0 C--O 1.3 3.717 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 171.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.51 130.2 50.85 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 119.496 1.043 . . . . 0.0 109.908 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.598 ' O ' HG13 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -122.04 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 O-C-N 125.199 1.562 . . . . 0.0 111.861 -177.532 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . 0.493 ' N ' HD12 ' A' ' 44' ' ' ILE . 9.8 t80 -144.43 129.62 18.68 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.06 19.51 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 112.2 -2.273 . . . . 0.0 110.778 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.66 61.0 Favored Glycine 0 N--CA 1.432 -1.591 0 C-N-CA 128.596 2.998 . . . . 0.0 117.462 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -115.02 142.76 46.19 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.78 130.35 34.58 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 103.771 -2.677 . . . . 0.0 103.771 174.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.63 138.13 37.32 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.118 -175.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 1.252 ' O ' HG21 ' A' ' 23' ' ' ILE . 33.9 mm-40 -101.77 140.08 36.53 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 125.158 1.536 . . . . 0.0 110.017 -177.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.822 ' O ' HG23 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -47.93 -42.57 27.6 Favored 'General case' 0 C--O 1.264 1.831 0 N-CA-C 120.792 3.627 . . . . 0.0 120.792 -175.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.55 -8.92 85.48 Favored Glycine 0 CA--C 1.489 -1.56 0 N-CA-C 116.272 1.269 . . . . 0.0 116.272 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.8 ' O ' HG22 ' A' ' 23' ' ' ILE . 2.6 mmt85 -85.45 165.34 17.25 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 119.817 -1.99 . . . . 0.0 108.08 176.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -104.5 164.84 11.46 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 177.093 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.456 HD23 HG21 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -61.61 -36.01 79.51 Favored 'General case' 0 C--O 1.202 -1.396 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 177.321 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -29.52 70.66 Favored 'General case' 0 C--O 1.268 2.055 0 C-N-CA 117.375 -1.73 . . . . 0.0 112.225 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.6 -39.46 70.78 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 122.42 1.105 . . . . 0.0 110.686 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 60' ' ' ASN . 34.1 m-85 -90.84 4.65 51.2 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 117.662 -1.161 . . . . 0.0 112.939 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 60' ' ' ASN . 0.7 OUTLIER 58.18 45.06 18.04 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 121.701 2.046 . . . . 0.0 111.226 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.456 HG21 HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -88.61 116.52 30.47 Favored 'Isoleucine or valine' 0 C--O 1.266 1.925 0 CA-C-O 115.221 -2.323 . . . . 0.0 106.178 175.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -103.59 169.66 8.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 126.012 2.07 . . . . 0.0 109.318 -176.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -54.87 142.89 27.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 123.259 1.504 . . . . 0.0 109.018 -176.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.54 ' O ' HD22 ' B' ' 8' ' ' LEU . 17.2 mm-40 67.06 19.21 10.52 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.7 p -71.18 159.5 34.55 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 174.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.13 126.76 52.38 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 118.209 -0.901 . . . . 0.0 108.865 175.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 mt -103.19 154.57 19.19 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 114.771 -2.538 . . . . 0.0 105.598 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -105.7 135.58 46.87 Favored 'General case' 0 C--N 1.287 -2.149 0 O-C-N 127.418 2.949 . . . . 0.0 105.815 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -106.8 115.81 30.84 Favored 'General case' 0 C--O 1.285 2.963 0 CA-C-O 117.64 -1.172 . . . . 0.0 111.518 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 42' ' ' ARG . 11.5 p -108.01 139.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 N-CA-C 103.58 -2.748 . . . . 0.0 103.58 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 71' ' ' LEU . 1.2 mm? -96.08 138.98 32.92 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.184 0.516 . . . . 0.0 109.86 178.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -48.29 78.88 Favored 'General case' 0 C--N 1.278 -2.538 0 CA-C-O 113.167 -3.302 . . . . 0.0 105.585 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.43 120.03 19.43 Favored 'General case' 0 C--N 1.29 -1.99 0 O-C-N 125.842 1.964 . . . . 0.0 109.66 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -108.61 122.31 46.82 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 113.609 -1.632 . . . . 0.0 108.797 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.75 79.16 0.19 Allowed Glycine 0 C--O 1.247 0.907 0 CA-C-N 114.562 -1.199 . . . . 0.0 115.181 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 N-CA-C 108.239 -1.944 . . . . 0.0 108.239 179.398 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.946 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -90.88 138.47 31.57 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 127.192 2.808 . . . . 0.0 108.774 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.523 HG23 ' N ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -131.09 163.09 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 CA-C-O 115.757 -2.068 . . . . 0.0 105.936 173.19 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.523 ' N ' HG23 ' B' ' 3' ' ' ILE . 19.5 m-30 -116.06 140.19 49.52 Favored 'General case' 0 N--CA 1.514 2.767 1 O-C-N 130.609 4.943 . . . . 0.0 108.564 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 5' ' ' VAL . . . . . 0.416 HG21 HD11 ' B' ' 15' ' ' LEU . 55.3 t -117.91 114.13 44.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-O 113.337 -3.22 . . . . 0.0 105.786 175.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.12 127.56 41.27 Favored 'General case' 0 N--CA 1.502 2.157 1 O-C-N 129.241 4.088 . . . . 0.0 108.176 -178.106 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.8 m -99.59 170.81 8.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.779 -1.105 . . . . 0.0 109.286 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LEU . . . . . 0.54 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -73.33 -6.97 49.56 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 124.159 0.912 . . . . 0.0 112.888 -178.293 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.22 14.82 30.76 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 115.652 -2.419 . . . . 0.0 112.038 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.73 80.07 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 120.285 -1.509 . . . . 0.0 116.045 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 137.87 34.76 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 174.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -119.9 131.87 55.37 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 126.423 2.327 . . . . 0.0 106.167 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -109.47 141.85 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 127.827 3.204 . . . . 0.0 109.14 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.9 t -101.23 139.89 36.29 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 117.017 -1.873 . . . . 0.0 108.364 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.416 HD11 HG21 ' B' ' 5' ' ' VAL . 33.5 mt -126.45 154.11 44.14 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.469 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.89 121.22 44.45 Favored 'General case' 0 N--CA 1.496 1.857 1 O-C-N 129.15 4.031 . . . . 0.0 103.47 174.052 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.12 170.62 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.201 0 O-C-N 127.767 3.167 . . . . 0.0 111.192 -177.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.12 144.62 38.17 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 112.051 -2.34 . . . . 0.0 106.297 174.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -54.9 -24.66 40.03 Favored 'Trans proline' 0 C--N 1.318 -1.053 0 C-N-CA 122.61 2.206 . . . . 0.0 111.618 177.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 43.4 t -79.96 -8.21 59.21 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.878 -177.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.0 148.49 47.58 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 117.284 -1.766 . . . . 0.0 109.833 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.86 160.48 21.14 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 21.6 mm -61.42 -36.7 74.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 O-C-N 127.072 2.733 . . . . 0.0 110.446 175.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.2 -42.92 77.93 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 120.436 -1.415 . . . . 0.0 110.979 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.37 -44.54 91.06 Favored 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.304 1.042 . . . . 0.0 111.42 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.62 -46.27 90.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.903 1.377 . . . . 0.0 108.982 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -60.83 -37.95 83.79 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.858 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.02 86.97 Favored 'General case' 0 C--O 1.278 2.573 0 O-C-N 123.384 0.428 . . . . 0.0 111.31 176.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -64.14 -37.35 87.15 Favored 'General case' 0 C--O 1.254 1.29 0 O-C-N 120.428 -1.42 . . . . 0.0 110.802 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -39.77 78.3 Favored 'Isoleucine or valine' 0 C--O 1.255 1.361 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.91 -48.79 78.89 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 125.542 2.591 . . . . 0.0 109.1 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.45 -41.72 66.41 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.919 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -93.34 -24.45 18.11 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -175.919 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -123.66 -6.29 8.05 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 122.879 2.581 . . . . 0.0 113.778 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.05 5.54 90.06 Favored Glycine 0 CA--C 1.475 -2.459 0 N-CA-C 118.757 2.263 . . . . 0.0 118.757 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -79.95 125.06 82.71 Favored Pre-proline 0 C--O 1.242 0.673 0 C-N-CA 118.694 -1.202 . . . . 0.0 111.012 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 82.1 Cg_exo -57.06 137.03 80.12 Favored 'Trans proline' 0 C--O 1.256 1.392 0 C-N-CA 123.02 2.48 . . . . 0.0 110.835 178.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.8 Cg_exo -57.29 -32.2 93.05 Favored 'Trans proline' 0 C--O 1.261 1.658 0 O-C-N 122.999 0.999 . . . . 0.0 113.348 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.32 -15.6 63.62 Favored 'General case' 0 C--O 1.263 1.816 0 O-C-N 120.045 -1.66 . . . . 0.0 112.23 -177.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.806 ' HB3' HD11 ' B' ' 71' ' ' LEU . 71.2 mt-30 -95.35 -10.65 29.49 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.443 -1.41 . . . . 0.0 112.327 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -84.91 129.57 34.78 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 124.302 2.001 . . . . 0.0 115.688 -177.466 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -121.12 116.15 24.45 Favored 'General case' 0 C--O 1.298 3.613 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 172.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -103.57 130.22 50.95 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 119.513 1.051 . . . . 0.0 109.964 -177.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.521 HD11 ' O ' ' C' ' 99' ' ' LYS . 2.2 mt -122.03 131.58 72.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 125.065 1.478 . . . . 0.0 112.018 -177.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.16 129.8 19.15 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 177.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.99 19.54 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 112.051 -2.341 . . . . 0.0 110.69 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.12 59.54 Favored Glycine 0 C--N 1.298 -1.539 0 C-N-CA 128.202 2.811 . . . . 0.0 117.358 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.79 143.82 39.09 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 115.342 -2.266 . . . . 0.0 110.946 174.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . 0.551 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -87.11 130.24 34.59 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 173.294 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -79.58 138.43 37.45 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 117.603 -1.189 . . . . 0.0 110.068 -175.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.91 139.99 36.79 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 125.198 1.562 . . . . 0.0 109.903 -177.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.6 p30 -48.22 -42.05 29.06 Favored 'General case' 0 C--O 1.261 1.685 0 N-CA-C 120.815 3.635 . . . . 0.0 120.815 -175.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.45 85.29 Favored Glycine 0 CA--C 1.493 -1.304 0 N-CA-C 116.036 1.174 . . . . 0.0 116.036 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -85.65 165.4 17.03 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 120.176 -1.779 . . . . 0.0 107.967 176.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 30.3 p -104.43 164.41 11.76 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.421 HD22 HD13 ' B' ' 61' ' ' ILE . 10.1 mt -60.93 -36.44 79.33 Favored 'General case' 0 C--O 1.2 -1.542 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 177.173 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 8.3 p -63.66 -29.7 70.9 Favored 'General case' 0 C--O 1.266 1.963 0 C-N-CA 117.285 -1.766 . . . . 0.0 112.297 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.66 -39.12 70.48 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 122.513 1.149 . . . . 0.0 110.798 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' B' ' 60' ' ' ASN . 61.7 m-85 -91.0 4.45 52.03 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 117.539 -1.22 . . . . 0.0 112.881 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.556 ' ND2' ' O ' ' B' ' 60' ' ' ASN . 0.6 OUTLIER 57.87 45.52 18.31 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 121.708 2.049 . . . . 0.0 111.305 -179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ILE . . . . . 0.421 HD13 HD22 ' B' ' 56' ' ' LEU . 6.7 mt -88.87 116.27 30.18 Favored 'Isoleucine or valine' 0 C--O 1.27 2.172 0 CA-C-O 115.05 -2.405 . . . . 0.0 106.189 175.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.41 169.57 8.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 126.153 2.158 . . . . 0.0 109.673 -176.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.91 142.96 27.63 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 123.175 1.464 . . . . 0.0 109.232 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 66.94 19.2 10.63 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 117.822 2.527 . . . . 0.0 117.822 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -71.09 159.55 34.5 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.9 t -119.01 126.54 51.97 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-O 118.238 -0.887 . . . . 0.0 108.842 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -103.1 154.6 19.11 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.611 -2.614 . . . . 0.0 105.763 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' HIS . . . . . 0.42 ' NE2' HG22 ' B' ' 70' ' ' VAL . 5.9 t60 -105.56 135.89 46.14 Favored 'General case' 0 C--N 1.283 -2.309 0 O-C-N 127.564 3.04 . . . . 0.0 105.693 177.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tt -107.17 115.79 30.8 Favored 'General case' 0 C--O 1.284 2.898 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.341 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 70' ' ' VAL . . . . . 0.452 HG13 HD21 ' B' ' 8' ' ' LEU . 76.4 t -108.1 140.0 28.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 103.468 -2.79 . . . . 0.0 103.468 175.134 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' LEU . . . . . 0.806 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.16 -83.35 0.37 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.035 0.445 . . . . 0.0 109.802 178.395 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 72' ' ' ARG . . . . . 0.599 ' HB3' ' HA2' ' C' ' 101' ' ' GLY . 14.9 tpp180 58.9 88.65 0.06 Allowed 'General case' 0 C--N 1.277 -2.572 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.513 -178.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -70.4 0.12 Allowed 'General case' 0 C--N 1.293 -1.865 0 O-C-N 125.779 1.925 . . . . 0.0 109.783 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.1 131.4 50.86 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 113.811 -1.54 . . . . 0.0 108.752 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.16 168.24 24.66 Favored Glycine 0 C--O 1.245 0.811 0 CA-C-N 114.871 -1.059 . . . . 0.0 115.16 -178.603 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.458 0 CA-C-O 116.574 -2.237 . . . . 0.0 108.309 178.872 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 121.916 0.865 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.8 19.61 0.32 Allowed 'General case' 0 C--N 1.29 -2.007 0 O-C-N 119.086 -2.259 . . . . 0.0 110.994 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.96 86.2 0.06 Allowed 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 126.779 2.032 . . . . 0.0 110.669 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.03 137.83 31.96 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.583 -178.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.12 -39.61 75.34 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.922 172.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 97.2 t -144.38 136.08 21.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.203 1.401 . . . . 0.0 107.457 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -144.3 148.06 34.32 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.573 165.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -160.98 155.19 22.95 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.172 0.92 . . . . 0.0 111.198 173.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.23 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.331 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.14 147.71 6.79 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.023 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.96 164.89 25.21 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.235 -1.946 . . . . 0.0 108.235 175.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 -179.24 3.78 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 7.8 mtt -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' SER . . . . . 0.473 ' CB ' ' HZ3' ' C' ' 34' ' ' LYS . 0.9 OUTLIER -136.62 156.49 48.48 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.098 -1.441 . . . . 0.0 108.704 177.409 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 33' ' ' LEU . . . . . 0.915 ' O ' HD22 ' C' ' 33' ' ' LEU . 0.0 OUTLIER -92.67 116.17 28.77 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 177.242 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 34' ' ' LYS . . . . . 0.473 ' HZ3' ' CB ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -112.38 115.84 29.37 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.09 8.66 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -113.95 14.57 18.49 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.331 -0.434 . . . . 0.0 109.981 178.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 75.3 m -112.04 122.51 47.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -76.14 120.02 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.1 119.35 26.53 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.231 -173.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.86 134.86 59.62 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.924 -0.917 . . . . 0.0 111.827 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -85.76 132.19 34.18 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 172.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -11.2 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.275 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.13 144.45 56.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 -173.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 125.6 26.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 45' ' ' GLY . . . . . 0.445 ' HA3' ' HE1' ' C' ' 61' ' ' TRP . . . -132.37 171.22 21.6 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.204 1.447 . . . . 0.0 115.321 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tp -128.39 124.4 36.24 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -90.97 137.51 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 164.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -151.85 157.83 42.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.963 0.887 . . . . 0.0 112.999 175.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 9.9 mt -118.81 131.09 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.567 -1.651 . . . . 0.0 108.325 174.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.58 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.12 122.08 42.42 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 170.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -84.05 171.08 13.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.298 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -10.47 59.82 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 119.641 -0.824 . . . . 0.0 113.198 -170.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -82.65 7.41 14.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.017 171.011 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.9 -1.33 3.1 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.49 1.516 . . . . 0.0 114.665 -177.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.82 149.91 39.46 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 122.18 0.991 . . . . 0.0 113.111 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 19.4 mm -102.29 129.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.143 -177.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 58' ' ' HIS . . . . . 0.465 ' CE1' HD12 ' C' ' 74' ' ' ILE . 1.5 m80 -117.48 125.27 50.62 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -176.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -98.79 118.98 36.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 19.1 m -127.65 156.84 41.7 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -171.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 61' ' ' TRP . . . . . 0.445 ' HE1' ' HA3' ' C' ' 45' ' ' GLY . 67.0 t90 -130.43 128.26 40.95 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.755 169.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.68 134.28 55.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.11 -1.405 . . . . 0.0 109.773 -176.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.21 115.3 13.55 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -32.39 73.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.51 -46.08 56.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -175.044 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -20.4 21.75 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.551 -176.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.51 2.67 60.52 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.743 -0.476 . . . . 0.0 113.748 -171.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -72.44 129.99 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.711 1.256 . . . . 0.0 113.195 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 69' ' ' VAL . . . . . 0.409 HG12 ' H ' ' C' ' 69' ' ' VAL . 0.8 OUTLIER -84.17 109.16 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.426 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -94.5 -28.84 15.24 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.999 -171.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -121.99 135.63 54.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.82 0.819 . . . . 0.0 109.383 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.1 103.22 2.36 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 -178.199 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.0 123.24 45.23 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.304 -174.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 74' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' C' ' 58' ' ' HIS . 3.5 mm -75.77 124.24 33.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.39 1.091 . . . . 0.0 111.729 168.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 75' ' ' ILE . . . . . 0.472 HD12 ' OD2' ' C' ' 79' ' ' ASP . 24.8 mm -122.94 130.3 74.56 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.386 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.669 -174.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 76' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -101.25 158.94 30.84 Favored Pre-proline 0 C--O 1.24 0.576 0 O-C-N 124.376 1.048 . . . . 0.0 110.885 173.695 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 77' ' ' PRO . . . . . 0.421 ' O ' ' CZ ' ' C' ' 76' ' ' PHE . 52.1 Cg_exo -54.28 133.88 58.04 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.319 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.53 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 79' ' ' ASP . . . . . 0.472 ' OD2' HD12 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -70.48 -33.48 71.3 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.01 0.823 . . . . 0.0 109.584 176.828 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 80' ' ' CYS . . . . . 0.487 ' HG ' ' HE1' ' C' ' 82' ' ' PHE . 18.1 p -154.97 168.1 28.1 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.582 -173.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -133.38 139.33 46.72 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 113.473 -1.694 . . . . 0.0 107.009 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 82' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' C' ' 128' ' ' LEU . 2.6 m-85 -106.78 124.24 49.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -148.56 156.47 42.48 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -177.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -67.79 142.73 56.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 70.0 t -94.19 98.36 2.85 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 171.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.02 -31.88 91.67 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 N-CA-C 117.809 2.196 . . . . 0.0 117.809 -167.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.15 8.59 34.93 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 117.983 -1.487 . . . . 0.0 112.207 -164.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 17.0 m -85.01 119.65 72.77 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -56.85 -19.98 33.92 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 122.99 0.995 . . . . 0.0 114.467 -173.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -34.57 78.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.347 0.521 . . . . 0.0 110.062 178.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 13.04 64.8 Favored Glycine 0 CA--C 1.505 -0.549 0 O-C-N 123.963 0.789 . . . . 0.0 111.528 -172.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -120.99 17.07 11.72 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.04 133.4 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 94' ' ' TYR . . . . . 0.767 ' CD2' ' HB2' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -124.98 151.83 44.99 Favored 'General case' 0 CA--C 1.501 -0.941 0 O-C-N 125.467 1.729 . . . . 0.0 110.479 178.615 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 95' ' ' VAL . . . . . 0.561 ' N ' ' CD1' ' C' ' 94' ' ' TYR . 2.6 p -127.02 135.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 96' ' ' LEU . . . . . 0.561 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 0.0 OUTLIER -95.5 108.14 20.35 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 169.083 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -109.25 125.13 51.94 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -171.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 98' ' ' PHE . . . . . 0.561 ' HE1' HD11 ' C' ' 96' ' ' LEU . 6.5 m-30 -84.74 115.58 22.78 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.071 0.857 . . . . 0.0 109.226 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 99' ' ' LYS . . . . . 0.551 ' HA ' ' HB2' ' B' ' 49' ' ' GLN . 3.0 ttpp -63.37 -25.13 68.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.397 -169.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.32 115.16 28.83 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 173.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 101' ' ' GLY . . . . . 0.599 ' HA2' ' HB3' ' B' ' 72' ' ' ARG . . . 101.92 172.37 27.7 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 42.2 p -91.35 9.09 33.05 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.058 -0.672 . . . . 0.0 110.601 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 129.2 38.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.897 -1.521 . . . . 0.0 110.602 -165.059 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.72 46.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.967 175.822 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -124.51 126.24 45.53 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -100.9 143.63 30.81 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 124.698 1.249 . . . . 0.0 110.256 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 107' ' ' PHE . . . . . 0.767 ' HB2' ' CD2' ' C' ' 94' ' ' TYR . 8.1 m-85 -137.09 156.66 48.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.234 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -131.47 126.61 35.47 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.397 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.69 137.77 58.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.257 -174.663 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -118.82 3.93 11.56 Favored 'General case' 0 N--CA 1.428 -1.534 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.31 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.31 135.95 93.92 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.107 1.432 . . . . 0.0 108.685 172.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.25 -41.39 42.63 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.08 146.93 24.23 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.487 173.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.2 m -83.37 -9.3 59.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.221 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -33.77 56.17 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -169.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -103.23 5.83 37.84 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.307 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.29 70.64 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.527 -173.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -44.06 80.35 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.833 0.349 . . . . 0.0 110.882 175.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -55.65 -45.84 77.58 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.069 -1.02 . . . . 0.0 112.299 173.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 121' ' ' CYS . . . . . 0.806 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 0.5 OUTLIER -60.59 -43.07 97.81 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.677 0.751 . . . . 0.0 110.352 178.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -43.38 98.96 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.124 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -64.23 -42.38 96.57 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 124' ' ' VAL . . . . . 0.806 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 6.3 m -52.22 -51.94 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.422 175.476 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 125' ' ' ASN . . . . . 0.519 ' HA ' HD23 ' C' ' 128' ' ' LEU . 30.5 t-20 -60.33 -39.52 87.37 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.22 -46.05 82.24 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 120.827 0.346 . . . . 0.0 111.502 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -79.04 -24.37 43.64 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.44 -0.904 . . . . 0.0 112.4 -174.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 128' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' C' ' 82' ' ' PHE . 0.4 OUTLIER -79.14 -36.03 41.16 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.774 -0.77 . . . . 0.0 112.247 174.468 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 129' ' ' ASN . . . . . 0.473 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 28.4 t-20 -110.75 -11.17 14.42 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -168.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -141.16 71.85 27.47 Favored Pre-proline 0 N--CA 1.467 0.401 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 169.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.67 170.7 17.81 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.661 1.574 . . . . 0.0 111.641 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo . . . . . 0 C--N 1.289 -2.553 0 C-N-CA 122.442 2.095 . . . . 0.0 111.617 179.795 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtt . . . . . 0 CA--C 1.549 0.941 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -91.12 138.28 31.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 126.86 2.6 . . . . 0.0 108.852 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.23 162.99 38.27 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 173.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.96 140.17 49.52 Favored 'General case' 0 N--CA 1.514 2.749 1 O-C-N 130.524 4.89 . . . . 0.0 108.778 179.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.05 114.26 44.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 CA-C-O 113.402 -3.189 . . . . 0.0 105.602 175.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 127.52 41.33 Favored 'General case' 0 N--CA 1.507 2.397 1 O-C-N 129.429 4.205 . . . . 0.0 107.933 -178.156 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.3 p -99.57 170.72 8.4 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.86 -1.067 . . . . 0.0 109.381 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.29 -7.02 49.78 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.079 0.862 . . . . 0.0 112.688 -177.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.57 15.1 29.95 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.616 -2.434 . . . . 0.0 111.976 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.68 80.19 Favored Glycine 0 C--N 1.298 -1.575 0 O-C-N 120.187 -1.571 . . . . 0.0 116.101 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -96.48 138.13 34.52 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 p -119.97 131.64 55.24 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.62 2.45 . . . . 0.0 105.937 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 pt -109.58 141.92 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 127.706 3.129 . . . . 0.0 108.909 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.9 t -101.38 139.66 36.73 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.23 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.6 mt -126.37 154.01 44.15 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 115.351 -2.261 . . . . 0.0 108.43 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -111.83 121.0 43.88 Favored 'General case' 0 N--CA 1.499 2.019 1 O-C-N 129.283 4.114 . . . . 0.0 103.642 173.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 t -138.91 170.61 16.02 Favored 'Isoleucine or valine' 0 C--O 1.255 1.367 0 O-C-N 127.537 3.023 . . . . 0.0 111.195 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.95 144.5 37.63 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 112.354 -2.203 . . . . 0.0 106.36 174.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -54.96 -24.35 39.06 Favored 'Trans proline' 0 C--N 1.321 -0.911 0 C-N-CA 122.423 2.082 . . . . 0.0 112.015 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -8.13 59.2 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.903 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -70.99 148.39 47.69 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 117.503 -1.679 . . . . 0.0 109.814 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.73 160.56 21.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 175.779 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.965 HG21 HD13 ' A' ' 50' ' ' LEU . 1.6 mp -61.55 -37.03 76.91 Favored 'Isoleucine or valine' 0 C--O 1.246 0.884 0 O-C-N 127.304 2.877 . . . . 0.0 110.258 175.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 1.025 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.51 -40.26 78.3 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.229 -0.919 . . . . 0.0 110.792 176.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.21 -41.97 80.54 Favored 'General case' 0 C--O 1.263 1.77 0 O-C-N 121.801 -0.562 . . . . 0.0 110.953 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.4 t -58.27 -46.44 88.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 O-C-N 124.4 1.063 . . . . 0.0 109.159 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 1.025 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 15.3 pttp -60.77 -37.91 83.46 Favored 'General case' 0 C--O 1.26 1.623 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.76 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' A' ' 27' ' ' LYS . . . -66.21 -38.02 86.98 Favored 'General case' 0 C--O 1.277 2.501 0 CA-C-N 118.178 0.445 . . . . 0.0 111.184 176.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -37.44 87.48 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 120.441 -1.412 . . . . 0.0 110.697 176.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.8 mt -69.98 -39.59 77.62 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.21 -48.67 78.98 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.538 2.589 . . . . 0.0 109.138 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -41.73 65.92 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.455 -1.702 . . . . 0.0 111.931 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 0.1 OUTLIER -93.56 -24.29 18.01 Favored 'General case' 0 C--O 1.28 2.703 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -175.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -123.37 -6.38 8.21 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 123.053 2.661 . . . . 0.0 114.245 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.97 5.68 89.98 Favored Glycine 0 CA--C 1.477 -2.324 0 N-CA-C 118.955 2.342 . . . . 0.0 118.955 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 22.6 mm -79.8 124.73 83.25 Favored Pre-proline 0 C--O 1.243 0.758 0 C-N-CA 118.909 -1.117 . . . . 0.0 110.954 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.1 Cg_exo -56.91 136.8 78.68 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.293 2.662 . . . . 0.0 110.85 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 53.4 Cg_exo -57.18 -31.89 91.87 Favored 'Trans proline' 0 C--O 1.262 1.7 0 O-C-N 123.023 1.012 . . . . 0.0 113.634 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.52 -15.36 63.51 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 119.939 -1.726 . . . . 0.0 112.161 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.94 -10.3 29.05 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.718 -1.239 . . . . 0.0 112.11 178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.86 129.68 34.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 124.417 2.056 . . . . 0.0 115.73 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.1 116.11 24.38 Favored 'General case' 0 C--O 1.299 3.677 0 N-CA-C 104.905 -2.258 . . . . 0.0 104.905 171.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.612 ' CB ' HD21 ' A' ' 50' ' ' LEU . 2.8 mm? -103.53 130.19 50.88 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 119.476 1.034 . . . . 0.0 109.921 -177.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 49' ' ' GLN . 42.4 mm -122.02 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 O-C-N 125.1 1.5 . . . . 0.0 111.919 -177.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -144.39 129.53 18.63 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 46.15 19.72 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.719 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' C' ' 74' ' ' ILE . . . 61.55 21.75 60.72 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 128.703 3.049 . . . . 0.0 117.488 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -115.03 142.82 46.12 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.533 ' HA ' HD13 ' A' ' 44' ' ' ILE . 4.4 mt-30 -85.83 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.528 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 174.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 1.174 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -79.52 138.18 37.43 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 117.651 -1.166 . . . . 0.0 110.175 -175.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -101.87 140.07 36.65 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 125.041 1.463 . . . . 0.0 109.942 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -47.91 -42.54 27.38 Favored 'General case' 0 C--O 1.264 1.824 0 N-CA-C 120.775 3.621 . . . . 0.0 120.775 -175.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 -8.85 85.51 Favored Glycine 0 CA--C 1.49 -1.502 0 N-CA-C 116.276 1.271 . . . . 0.0 116.276 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -85.42 165.41 17.22 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 119.761 -2.023 . . . . 0.0 108.024 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 25.5 p -104.52 164.8 11.49 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.46 HD22 HD13 ' A' ' 61' ' ' ILE . 41.6 mt -61.57 -35.99 79.38 Favored 'General case' 0 C--O 1.201 -1.448 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.7 t -64.22 -29.44 70.55 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 117.287 -1.765 . . . . 0.0 112.206 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.53 -39.56 70.7 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 122.39 1.09 . . . . 0.0 110.619 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -90.85 4.69 51.1 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 117.694 -1.145 . . . . 0.0 112.999 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.8 t30 58.15 45.21 17.9 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 121.574 1.988 . . . . 0.0 111.146 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.46 HD13 HD22 ' A' ' 56' ' ' LEU . 1.7 mt -88.78 116.43 30.39 Favored 'Isoleucine or valine' 0 C--O 1.266 1.958 0 CA-C-O 115.196 -2.335 . . . . 0.0 106.156 175.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.45 169.71 8.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 126.034 2.084 . . . . 0.0 109.379 -176.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.9 142.91 27.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.253 1.502 . . . . 0.0 109.077 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.712 ' O ' HD13 ' B' ' 8' ' ' LEU . 0.4 OUTLIER 67.1 19.22 10.48 Favored 'General case' 0 C--O 1.254 1.329 0 N-CA-C 117.912 2.56 . . . . 0.0 117.912 179.271 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -71.26 159.61 34.3 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.21 126.82 52.44 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 118.149 -0.929 . . . . 0.0 108.79 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 mt -103.15 154.54 19.2 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.763 -2.541 . . . . 0.0 105.624 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.804 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -105.66 135.68 46.63 Favored 'General case' 0 C--N 1.287 -2.13 0 O-C-N 127.42 2.95 . . . . 0.0 105.941 177.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -106.97 115.84 30.88 Favored 'General case' 0 C--O 1.284 2.872 0 CA-C-O 117.62 -1.181 . . . . 0.0 111.384 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.0 139.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 N-CA-C 103.654 -2.721 . . . . 0.0 103.654 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.1 138.85 33.12 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.199 0.523 . . . . 0.0 109.864 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.512 0 CA-C-O 113.14 -3.315 . . . . 0.0 105.558 178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.6 ptp . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -90.96 138.51 31.55 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 127.142 2.777 . . . . 0.0 108.731 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -131.2 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 CA-C-O 115.816 -2.04 . . . . 0.0 105.902 173.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -116.0 140.18 49.52 Favored 'General case' 0 N--CA 1.514 2.761 1 O-C-N 130.573 4.921 . . . . 0.0 108.595 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.437 HG13 ' HB ' ' B' ' 13' ' ' ILE . 0.1 OUTLIER -117.92 114.18 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-O 113.444 -3.17 . . . . 0.0 105.776 175.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.2 127.59 41.37 Favored 'General case' 0 N--CA 1.502 2.156 1 O-C-N 129.162 4.039 . . . . 0.0 108.131 -178.1 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.9 p -99.58 170.82 8.32 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.297 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -73.32 -7.01 49.76 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 124.105 0.878 . . . . 0.0 112.879 -178.3 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.4 t -101.14 14.73 31.04 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 115.661 -2.415 . . . . 0.0 112.009 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.67 80.05 Favored Glycine 0 C--N 1.295 -1.704 0 O-C-N 120.162 -1.586 . . . . 0.0 116.034 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.27 137.92 34.64 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 174.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.89 131.88 55.38 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 126.401 2.313 . . . . 0.0 106.174 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.437 ' HB ' HG13 ' B' ' 5' ' ' VAL . 1.7 mp -109.51 141.8 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 127.746 3.154 . . . . 0.0 109.099 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -101.25 139.9 36.29 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 116.933 -1.907 . . . . 0.0 108.404 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt -126.52 154.01 44.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.494 -2.193 . . . . 0.0 108.437 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.8 121.11 44.18 Favored 'General case' 0 N--CA 1.497 1.91 1 O-C-N 129.283 4.114 . . . . 0.0 103.52 174.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 m -139.02 170.63 15.88 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 O-C-N 127.798 3.186 . . . . 0.0 111.272 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -120.04 144.65 38.09 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.314 174.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -55.03 -24.63 40.9 Favored 'Trans proline' 0 C--N 1.317 -1.097 0 C-N-CA 122.627 2.218 . . . . 0.0 111.515 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -8.2 59.18 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.878 -177.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.97 148.61 47.5 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 117.31 -1.756 . . . . 0.0 109.742 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.2 p -83.97 160.49 21.03 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 175.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.413 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 20.7 mm -61.46 -36.66 74.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 126.921 2.638 . . . . 0.0 110.449 175.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.778 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.19 -42.98 78.0 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 120.363 -1.461 . . . . 0.0 110.969 176.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -64.3 -44.62 91.07 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 124.264 1.025 . . . . 0.0 111.436 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.74 ' O ' HG23 ' B' ' 30' ' ' ILE . 2.3 t -58.59 -46.25 90.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 O-C-N 124.886 1.366 . . . . 0.0 108.994 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.497 ' O ' HG13 ' B' ' 30' ' ' ILE . 23.4 mtpt -60.78 -38.02 83.86 Favored 'General case' 0 C--O 1.256 1.402 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.805 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.95 86.63 Favored 'General case' 0 C--O 1.279 2.624 0 O-C-N 123.468 0.48 . . . . 0.0 111.387 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -64.03 -37.5 87.67 Favored 'General case' 0 C--O 1.254 1.3 0 O-C-N 120.438 -1.414 . . . . 0.0 110.825 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.74 HG23 ' O ' ' B' ' 26' ' ' VAL . 0.6 OUTLIER -69.69 -39.72 78.44 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 0.469 ' N ' HG13 ' B' ' 30' ' ' ILE . 2.5 tt0 -62.0 -48.86 78.42 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.547 2.594 . . . . 0.0 108.968 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -53.35 -41.86 66.24 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.82 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.4 OUTLIER -93.36 -24.32 18.13 Favored 'General case' 0 C--O 1.28 2.7 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 -175.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -123.68 -6.4 8.03 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 122.938 2.608 . . . . 0.0 113.784 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.09 5.6 90.0 Favored Glycine 0 CA--C 1.476 -2.379 0 N-CA-C 118.744 2.257 . . . . 0.0 118.744 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.728 HG22 HD11 ' B' ' 30' ' ' ILE . 1.4 mt -79.85 125.1 82.82 Favored Pre-proline 0 C--O 1.241 0.655 0 C-N-CA 118.682 -1.207 . . . . 0.0 111.003 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 82.7 Cg_exo -57.2 137.0 79.79 Favored 'Trans proline' 0 C--O 1.256 1.384 0 C-N-CA 122.935 2.424 . . . . 0.0 110.899 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.7 Cg_exo -57.21 -32.25 92.98 Favored 'Trans proline' 0 C--O 1.261 1.659 0 O-C-N 123.141 1.074 . . . . 0.0 113.324 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -15.52 63.6 Favored 'General case' 0 C--O 1.264 1.867 0 O-C-N 120.014 -1.679 . . . . 0.0 112.239 -177.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.502 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.1 OUTLIER -95.52 -10.59 29.26 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.462 -1.399 . . . . 0.0 112.207 178.405 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -84.84 129.66 34.78 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 124.207 1.955 . . . . 0.0 115.682 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -121.22 116.15 24.36 Favored 'General case' 0 C--O 1.299 3.663 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.63 130.33 51.06 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.484 1.038 . . . . 0.0 109.958 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.01 131.56 72.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 O-C-N 125.122 1.514 . . . . 0.0 111.987 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.25 129.83 19.07 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 45.98 19.82 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 111.979 -2.373 . . . . 0.0 110.693 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 20.27 59.5 Favored Glycine 0 C--N 1.298 -1.542 0 C-N-CA 128.217 2.818 . . . . 0.0 117.372 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -109.95 143.83 39.34 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 115.371 -2.252 . . . . 0.0 110.912 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.471 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.1 OUTLIER -87.17 130.34 34.58 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 103.971 -2.603 . . . . 0.0 103.971 173.38 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -79.58 138.37 37.44 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.074 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -101.94 139.98 36.84 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 125.178 1.549 . . . . 0.0 109.924 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.778 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.8 OUTLIER -48.17 -42.08 28.67 Favored 'General case' 0 C--O 1.262 1.723 0 N-CA-C 120.782 3.623 . . . . 0.0 120.782 -175.764 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.19 -8.58 85.22 Favored Glycine 0 CA--C 1.493 -1.339 0 N-CA-C 115.991 1.156 . . . . 0.0 115.991 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -85.6 165.33 17.13 Favored 'General case' 0 C--O 1.251 1.177 0 O-C-N 120.138 -1.801 . . . . 0.0 108.037 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 45.1 p -104.44 164.46 11.73 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.461 HD22 HD13 ' B' ' 61' ' ' ILE . 40.5 mt -61.01 -36.42 79.46 Favored 'General case' 0 C--O 1.201 -1.47 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -63.66 -29.81 71.0 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.29 -1.764 . . . . 0.0 112.135 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.62 -39.06 70.31 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 122.554 1.169 . . . . 0.0 110.861 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -91.04 4.5 51.95 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.942 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.87 45.44 18.43 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-N 121.666 2.03 . . . . 0.0 111.301 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.461 HD13 HD22 ' B' ' 56' ' ' LEU . 8.3 mt -88.78 116.19 29.98 Favored 'Isoleucine or valine' 0 C--O 1.27 2.153 0 CA-C-O 115.106 -2.378 . . . . 0.0 106.259 175.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -103.29 169.62 8.44 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 126.048 2.093 . . . . 0.0 109.783 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 142.9 28.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.071 1.415 . . . . 0.0 109.287 -176.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 67.1 19.05 10.5 Favored 'General case' 0 C--O 1.256 1.437 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -71.06 159.47 34.67 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 50.9 m -118.9 126.6 52.16 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 118.108 -0.948 . . . . 0.0 108.896 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.13 154.59 19.14 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.726 -2.559 . . . . 0.0 105.703 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -105.58 135.73 46.45 Favored 'General case' 0 C--N 1.283 -2.295 0 O-C-N 127.489 2.993 . . . . 0.0 105.714 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tp -107.03 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.865 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.43 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.528 ' HA ' HD11 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -108.17 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 103.462 -2.792 . . . . 0.0 103.462 175.2 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.584 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.6 tt -96.11 -83.52 0.37 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.1 0.476 . . . . 0.0 109.805 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.518 ' HB2' ' HA2' ' C' ' 101' ' ' GLY . 6.5 mmm180 . . . . . 0 C--N 1.278 -2.515 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.407 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 mptt . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.63 0.729 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -89.09 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.558 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' C' ' 127' ' ' TYR . 8.9 mt -70.2 -39.6 75.09 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.675 0.75 . . . . 0.0 111.885 172.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -144.3 136.11 22.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.233 1.413 . . . . 0.0 107.474 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.34 148.03 34.23 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.59 165.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -161.01 155.17 22.84 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.263 0.977 . . . . 0.0 111.181 173.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -72.21 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.331 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.61 ' HB1' ' CD2' ' C' ' 107' ' ' PHE . . . -166.16 147.73 6.78 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.077 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.89 25.12 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 108.247 -1.941 . . . . 0.0 108.247 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.17 -179.22 3.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.8 mtt -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -136.64 156.57 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.108 -1.437 . . . . 0.0 108.781 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.28 -116.09 8.67 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -113.95 14.55 18.49 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.332 -0.434 . . . . 0.0 110.018 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 85.9 m -111.96 122.48 47.89 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 -172.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 44.6 t -76.08 119.99 25.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -124.08 119.31 26.56 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.17 -173.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.91 134.81 59.11 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 117.935 -0.91 . . . . 0.0 111.863 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 172.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.21 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -67.08 144.41 56.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.11 125.58 26.81 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . 0.445 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.26 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.221 1.456 . . . . 0.0 115.299 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 tt -128.39 124.38 36.17 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 5.1 m -91.0 137.54 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.12 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 164.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -151.86 157.82 42.4 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.964 0.888 . . . . 0.0 113.032 175.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.586 HG23 HD13 ' C' ' 57' ' ' ILE . 1.8 mp -118.81 131.08 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.599 -1.637 . . . . 0.0 108.325 174.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -134.05 137.64 44.8 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -100.16 122.04 42.37 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 77.7 p -84.1 171.12 13.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.248 0.546 . . . . 0.0 111.248 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.53 -10.44 59.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.691 -0.804 . . . . 0.0 113.165 -170.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m 73.8 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.404 1.482 . . . . 0.0 114.791 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mp -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.677 HD12 ' N ' ' C' ' 58' ' ' HIS . 0.1 OUTLIER -102.19 129.08 54.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.176 -177.639 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.677 ' N ' HD12 ' C' ' 57' ' ' ILE . 13.3 m-70 -117.64 125.32 50.53 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -176.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -98.8 118.98 36.77 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 75.5 m -127.65 156.85 41.68 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.5 128.26 40.83 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.587 -1.642 . . . . 0.0 108.763 169.223 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.62 134.32 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.745 -176.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.26 115.36 13.68 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -63.98 -32.47 74.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -176.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -46.13 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -91.46 -20.44 21.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.574 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.5 2.72 60.6 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 80.5 t -84.19 109.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -94.54 -28.83 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.931 -171.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.99 135.51 54.85 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.838 0.828 . . . . 0.0 109.415 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.96 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.08 123.23 45.12 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.236 -174.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 47' ' ' GLY . 1.3 pt -75.86 124.3 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.392 1.091 . . . . 0.0 111.742 168.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.971 HG21 HD12 ' C' ' 128' ' ' LEU . 4.8 mm -122.96 130.33 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.632 -174.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.27 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.467 1.105 . . . . 0.0 110.861 173.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -54.31 133.88 58.13 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.91 2.407 . . . . 0.0 111.319 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.53 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -70.44 -33.63 71.53 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.01 0.823 . . . . 0.0 109.558 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.88 168.18 27.8 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.639 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.44 139.34 46.67 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.48 -1.691 . . . . 0.0 106.972 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -106.74 124.16 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.5 156.5 42.54 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.8 142.84 56.07 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.379 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 89.0 t -94.29 98.31 2.86 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -60.99 -31.99 91.92 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.765 2.179 . . . . 0.0 117.765 -167.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -91.1 8.59 34.82 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.207 -164.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.09 119.68 72.74 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -56.96 -19.83 34.0 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.42 -173.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 78.7 p -65.56 -34.67 78.79 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.411 0.55 . . . . 0.0 110.035 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.49 13.04 64.85 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.528 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -120.99 17.1 11.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 86.6 t -97.08 133.45 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . 0.886 ' HB2' ' CE1' ' C' ' 107' ' ' PHE . 10.1 m-85 -125.0 151.77 45.1 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.468 1.73 . . . . 0.0 110.44 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 p -127.03 135.39 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 57.8 tp -95.48 108.06 20.27 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -109.21 125.23 52.02 Favored 'General case' 0 CA--C 1.486 -1.509 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -171.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -84.89 115.68 22.9 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.136 0.898 . . . . 0.0 109.153 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . 0.471 ' HA ' ' HB2' ' B' ' 49' ' ' GLN . 13.0 mtmt -63.38 -25.18 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.412 -169.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . 0.432 ' HB3' ' NE2' ' A' ' 68' ' ' HIS . . . -111.26 115.21 28.96 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 173.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . 0.518 ' HA2' ' HB2' ' B' ' 72' ' ' ARG . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.34 8.94 33.65 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.034 -0.686 . . . . 0.0 110.55 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -70.63 129.19 38.51 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.622 -165.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.01 141.78 46.28 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.946 175.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mt -124.56 126.24 45.49 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -100.86 143.67 30.74 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.329 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . 0.992 ' CD1' ' C ' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -137.09 156.72 48.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.307 178.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 26.7 p-90 -131.5 126.57 35.29 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.408 175.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.63 137.75 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.238 -174.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -118.84 3.97 11.54 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.268 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.28 135.92 93.85 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.129 1.442 . . . . 0.0 108.623 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.29 -41.34 42.69 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.444 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -96.12 146.93 24.25 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.513 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 14.9 t -83.41 -9.26 59.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.216 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.23 5.8 37.82 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -174.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -56.84 -48.83 77.15 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.307 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -69.77 -32.28 70.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.582 -173.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.25 -44.09 80.3 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.901 0.381 . . . . 0.0 110.909 175.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -55.6 -45.91 77.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.025 -1.047 . . . . 0.0 112.264 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' C' ' 122' ' ' ARG . 0.5 OUTLIER -60.53 -43.12 97.48 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.695 0.76 . . . . 0.0 110.348 178.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' C' ' 121' ' ' CYS . 0.0 OUTLIER -61.89 -43.45 98.82 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.117 -179.43 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -42.37 96.58 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 69.3 t -52.27 -51.87 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.478 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.37 -39.53 87.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.33 -45.93 82.31 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.453 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . 0.648 ' CE1' HD22 ' C' ' 23' ' ' LEU . 63.0 m-85 -79.06 -24.51 43.51 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.445 -0.902 . . . . 0.0 112.381 -174.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.971 HD12 HG21 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -78.96 -36.15 42.0 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.796 -0.761 . . . . 0.0 112.278 174.471 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . 0.649 ' CB ' HD23 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.73 -11.12 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -168.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -141.17 71.87 27.4 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -82.32 168.47 14.85 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.591 1.527 . . . . 0.0 111.66 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo . . . . . 0 C--N 1.288 -2.624 0 C-N-CA 122.437 2.092 . . . . 0.0 111.568 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 mmt . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -91.18 138.21 31.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 126.812 2.57 . . . . 0.0 108.795 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.23 162.97 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 173.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 1.032 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -115.93 140.22 49.47 Favored 'General case' 0 N--CA 1.513 2.698 1 O-C-N 130.643 4.964 . . . . 0.0 108.779 179.606 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.749 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -118.15 114.25 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.562 175.829 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.23 127.52 41.35 Favored 'General case' 0 N--CA 1.505 2.323 1 O-C-N 129.36 4.162 . . . . 0.0 107.928 -178.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -99.54 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.35 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.8 mt -73.33 -7.02 49.84 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.049 0.843 . . . . 0.0 112.722 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.52 15.02 30.2 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.652 -2.419 . . . . 0.0 112.003 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.68 80.21 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.305 -1.497 . . . . 0.0 116.161 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.48 138.1 34.57 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.89 131.66 55.31 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 126.727 2.517 . . . . 0.0 105.943 176.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.6 HG23 HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -109.54 141.92 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 127.615 3.072 . . . . 0.0 108.865 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.8 m -101.4 139.7 36.71 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 117.214 -1.794 . . . . 0.0 108.2 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.43 153.99 44.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 115.418 -2.229 . . . . 0.0 108.332 -179.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -111.82 120.97 43.79 Favored 'General case' 0 N--CA 1.499 2.012 1 O-C-N 129.179 4.05 . . . . 0.0 103.685 173.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -138.9 170.62 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.312 0 O-C-N 127.513 3.008 . . . . 0.0 111.201 -177.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -120.0 144.49 37.67 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 112.356 -2.202 . . . . 0.0 106.349 174.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -55.02 -24.36 39.54 Favored 'Trans proline' 0 C--N 1.322 -0.838 0 C-N-CA 122.497 2.131 . . . . 0.0 111.935 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -8.33 59.24 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.872 -177.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.542 ' OD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -71.0 148.37 47.7 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 117.474 -1.69 . . . . 0.0 109.808 -179.016 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -83.69 160.53 21.29 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 21.2 mm -61.43 -37.13 77.02 Favored 'Isoleucine or valine' 0 C--O 1.245 0.844 0 O-C-N 127.209 2.818 . . . . 0.0 110.263 175.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.61 -40.16 78.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.336 -0.852 . . . . 0.0 110.788 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.29 -41.9 80.29 Favored 'General case' 0 C--O 1.262 1.729 0 O-C-N 121.919 -0.488 . . . . 0.0 110.947 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.542 HG23 ' OD2' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -58.14 -46.45 88.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 178.096 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.856 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 22.5 mttm -60.88 -37.83 83.53 Favored 'General case' 0 C--O 1.26 1.611 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.689 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.527 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.19 -38.13 87.27 Favored 'General case' 0 C--O 1.277 2.542 0 CA-C-N 118.207 0.458 . . . . 0.0 111.091 176.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.12 -37.55 87.84 Favored 'General case' 0 C--O 1.254 1.31 0 O-C-N 120.486 -1.383 . . . . 0.0 110.599 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.96 -39.5 77.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.139 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.913 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 2.2 mm-40 -62.17 -48.81 78.43 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 125.574 2.606 . . . . 0.0 109.053 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.24 -41.69 65.69 Favored 'General case' 0 C--O 1.253 1.238 0 CA-C-N 113.463 -1.699 . . . . 0.0 111.915 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 14.3 tptp -93.65 -24.2 17.97 Favored 'General case' 0 C--O 1.281 2.75 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.513 ' OE2' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -123.47 -6.45 8.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 123.148 2.704 . . . . 0.0 114.19 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.77 89.93 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.94 2.336 . . . . 0.0 118.94 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.913 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 19.5 mm -79.86 124.8 83.11 Favored Pre-proline 0 C--O 1.243 0.759 0 C-N-CA 118.866 -1.134 . . . . 0.0 110.899 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.579 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 79.9 Cg_exo -56.95 136.77 78.59 Favored 'Trans proline' 0 C--O 1.259 1.552 0 C-N-CA 123.351 2.7 . . . . 0.0 110.862 178.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.844 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 32.5 Cg_exo -57.15 -31.83 91.62 Favored 'Trans proline' 0 C--O 1.262 1.712 0 O-C-N 122.951 0.974 . . . . 0.0 113.749 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.59 -15.36 63.51 Favored 'General case' 0 C--O 1.261 1.664 0 O-C-N 119.863 -1.773 . . . . 0.0 112.213 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -95.97 -10.22 29.18 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 120.714 -1.242 . . . . 0.0 112.043 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.84 129.61 34.79 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 124.36 2.028 . . . . 0.0 115.706 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -121.08 116.1 24.37 Favored 'General case' 0 C--O 1.298 3.615 0 N-CA-C 104.936 -2.246 . . . . 0.0 104.936 171.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.481 ' CD1' HD23 ' A' ' 67' ' ' LEU . 2.8 mm? -103.52 130.18 50.85 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 119.501 1.046 . . . . 0.0 109.867 -177.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -121.93 131.89 72.12 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 O-C-N 125.139 1.525 . . . . 0.0 111.94 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.676 ' CZ ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -144.4 129.52 18.61 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 177.572 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 46.05 19.79 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.707 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' C' ' 74' ' ' ILE . . . 61.74 21.66 61.05 Favored Glycine 0 N--CA 1.432 -1.612 0 C-N-CA 128.723 3.059 . . . . 0.0 117.462 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HG2' HD11 ' C' ' 74' ' ' ILE . 0.0 OUTLIER -115.02 142.74 46.22 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 177.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -85.79 130.29 34.6 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 103.778 -2.675 . . . . 0.0 103.778 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -79.39 138.11 37.53 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 117.665 -1.159 . . . . 0.0 110.174 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.8 140.07 36.58 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 125.03 1.456 . . . . 0.0 110.014 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 19.0 m-20 -47.99 -42.45 27.86 Favored 'General case' 0 C--O 1.264 1.85 0 N-CA-C 120.764 3.616 . . . . 0.0 120.764 -175.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.66 -8.99 85.29 Favored Glycine 0 CA--C 1.49 -1.494 0 N-CA-C 116.192 1.237 . . . . 0.0 116.192 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -85.44 165.23 17.35 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 119.801 -1.999 . . . . 0.0 108.027 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 20.4 p -104.32 164.87 11.43 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 176.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.54 -36.02 79.41 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -29.4 70.5 Favored 'General case' 0 C--O 1.268 2.05 0 C-N-CA 117.328 -1.749 . . . . 0.0 112.176 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.51 -39.55 70.63 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 122.501 1.143 . . . . 0.0 110.715 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -90.82 4.68 51.05 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.999 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 58.08 45.21 18.11 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 121.617 2.008 . . . . 0.0 111.187 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.1 mm -88.72 116.59 30.65 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 CA-C-O 115.143 -2.361 . . . . 0.0 106.187 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 65' ' ' SER . 0.0 OUTLIER -103.56 169.59 8.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 126.006 2.066 . . . . 0.0 109.376 -176.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.93 27.66 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 123.259 1.504 . . . . 0.0 109.101 -176.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 66.93 19.26 10.63 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -71.15 159.5 34.56 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.718 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.676 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . 6.4 t -119.15 126.75 52.33 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 118.168 -0.92 . . . . 0.0 108.865 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.032 HD13 ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -103.08 154.51 19.19 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 114.762 -2.542 . . . . 0.0 105.711 175.141 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.611 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -105.58 135.59 46.71 Favored 'General case' 0 C--N 1.287 -2.116 0 O-C-N 127.391 2.932 . . . . 0.0 105.892 177.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 tp -106.82 115.84 30.89 Favored 'General case' 0 C--O 1.285 2.922 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.446 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.2 t -108.07 139.9 28.53 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 N-CA-C 103.577 -2.749 . . . . 0.0 103.577 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -96.07 138.78 33.19 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.242 0.544 . . . . 0.0 109.806 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 . . . . . 0 C--N 1.279 -2.492 0 CA-C-O 113.153 -3.308 . . . . 0.0 105.629 178.501 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mmm . . . . . 0 CA--C 1.549 0.911 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.9 138.51 31.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 127.143 2.777 . . . . 0.0 108.741 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.438 HD12 HD21 ' B' ' 67' ' ' LEU . 0.2 OUTLIER -131.14 163.01 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 CA-C-O 115.813 -2.042 . . . . 0.0 105.885 173.187 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.91 140.19 49.48 Favored 'General case' 0 N--CA 1.514 2.747 1 O-C-N 130.619 4.949 . . . . 0.0 108.627 179.713 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.642 HG12 HD21 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -117.93 114.11 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-O 113.376 -3.202 . . . . 0.0 105.793 175.504 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.14 127.62 41.34 Favored 'General case' 0 N--CA 1.502 2.138 1 O-C-N 129.203 4.064 . . . . 0.0 108.19 -178.12 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.55 170.83 8.32 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.769 -1.11 . . . . 0.0 109.259 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.651 HD11 HG13 ' B' ' 70' ' ' VAL . 5.6 mt -73.42 -6.93 49.42 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.096 0.872 . . . . 0.0 112.838 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -101.23 14.78 30.88 Favored 'General case' 0 N--CA 1.507 2.396 0 C-N-CA 115.663 -2.415 . . . . 0.0 111.997 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.75 80.05 Favored Glycine 0 C--N 1.296 -1.662 0 O-C-N 120.136 -1.603 . . . . 0.0 116.01 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.28 137.95 34.61 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 174.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.87 131.98 55.42 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 126.31 2.256 . . . . 0.0 106.203 176.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.55 141.82 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.825 3.203 . . . . 0.0 109.096 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -101.18 139.91 36.2 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 117.054 -1.858 . . . . 0.0 108.356 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.8 mt -126.59 154.11 44.36 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 115.538 -2.172 . . . . 0.0 108.348 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.86 121.22 44.47 Favored 'General case' 0 N--CA 1.496 1.874 1 O-C-N 129.271 4.107 . . . . 0.0 103.496 174.073 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.11 170.56 15.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.351 0 O-C-N 127.774 3.171 . . . . 0.0 111.271 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 pm0 -120.03 144.68 38.14 Favored Pre-proline 0 C--N 1.312 -1.052 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.288 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -55.0 -24.66 40.78 Favored 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 122.719 2.279 . . . . 0.0 111.498 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.6 t -79.89 -8.34 59.25 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.849 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.92 148.52 47.64 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.727 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.1 p -83.86 160.49 21.14 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 175.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.979 HG21 HD13 ' B' ' 50' ' ' LEU . 1.8 mp -61.44 -36.74 75.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 126.959 2.662 . . . . 0.0 110.336 175.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.776 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.2 -42.83 77.82 Favored 'General case' 0 C--O 1.252 1.22 0 O-C-N 120.408 -1.432 . . . . 0.0 111.009 176.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -64.47 -44.47 90.95 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 124.263 1.025 . . . . 0.0 111.44 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.66 -46.31 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 114.207 -1.36 . . . . 0.0 108.992 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.776 ' O ' HG22 ' B' ' 30' ' ' ILE . 10.5 mtmm -60.7 -38.07 83.79 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.812 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -37.94 86.76 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 123.359 0.412 . . . . 0.0 111.38 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -64.1 -37.47 87.56 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 120.429 -1.419 . . . . 0.0 110.791 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.776 HG22 ' O ' ' B' ' 27' ' ' LYS . 5.4 tp -69.66 -39.77 78.56 Favored 'Isoleucine or valine' 0 C--O 1.255 1.376 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.97 -48.82 78.65 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 125.572 2.606 . . . . 0.0 109.054 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.4 -41.8 66.34 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.852 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.4 OUTLIER -93.32 -24.36 18.15 Favored 'General case' 0 C--O 1.28 2.659 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 -175.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.72 -6.25 8.02 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 122.864 2.574 . . . . 0.0 113.688 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.63 90.01 Favored Glycine 0 CA--C 1.477 -2.318 0 N-CA-C 118.66 2.224 . . . . 0.0 118.66 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.513 HD11 ' CG1' ' B' ' 30' ' ' ILE . 4.2 pt -79.91 124.99 82.93 Favored Pre-proline 0 C--O 1.242 0.682 0 C-N-CA 118.719 -1.192 . . . . 0.0 111.033 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 82.9 Cg_exo -57.17 137.05 80.04 Favored 'Trans proline' 0 C--O 1.256 1.404 0 C-N-CA 122.913 2.409 . . . . 0.0 110.833 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.5 Cg_exo -57.17 -32.19 92.72 Favored 'Trans proline' 0 C--O 1.261 1.666 0 O-C-N 123.023 1.012 . . . . 0.0 113.444 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -15.54 63.6 Favored 'General case' 0 C--O 1.265 1.912 0 O-C-N 120.056 -1.652 . . . . 0.0 112.189 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.788 ' HB2' HD13 ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.48 -10.73 28.98 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.504 -1.372 . . . . 0.0 112.177 178.432 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.403 ' NE2' HD12 ' B' ' 36' ' ' ILE . 36.5 mm-40 -84.76 129.6 34.8 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 124.274 1.988 . . . . 0.0 115.797 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -121.1 116.08 24.32 Favored 'General case' 0 C--O 1.299 3.664 0 N-CA-C 104.83 -2.285 . . . . 0.0 104.83 172.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.692 ' HG ' HD22 ' B' ' 69' ' ' LEU . 0.2 OUTLIER -103.52 130.26 50.88 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.501 1.046 . . . . 0.0 110.02 -177.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.861 HD11 ' O ' ' C' ' 99' ' ' LYS . 12.5 mm -122.01 131.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 125.136 1.522 . . . . 0.0 111.966 -177.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.667 ' CZ ' ' HB3' ' B' ' 50' ' ' LEU . 0.0 OUTLIER -144.23 129.78 19.05 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 177.449 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 46.01 19.66 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 112.011 -2.358 . . . . 0.0 110.661 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 20.29 59.44 Favored Glycine 0 C--N 1.298 -1.581 0 C-N-CA 128.349 2.88 . . . . 0.0 117.349 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -109.94 143.93 39.18 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 115.307 -2.282 . . . . 0.0 110.964 174.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.494 ' HA ' HD13 ' B' ' 44' ' ' ILE . 3.8 pp0? -87.29 130.33 34.64 Favored 'General case' 0 C--N 1.279 -2.473 0 N-CA-C 103.95 -2.611 . . . . 0.0 103.95 173.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 1.185 ' O ' HD12 ' B' ' 50' ' ' LEU . 0.1 OUTLIER -79.61 138.44 37.43 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.043 -175.757 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.98 140.01 36.85 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 125.201 1.563 . . . . 0.0 109.893 -177.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.776 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.6 OUTLIER -48.22 -42.1 29.2 Favored 'General case' 0 C--O 1.261 1.7 0 N-CA-C 120.741 3.608 . . . . 0.0 120.741 -175.774 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.28 -8.37 85.37 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 115.967 1.147 . . . . 0.0 115.967 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -85.62 165.3 17.14 Favored 'General case' 0 C--O 1.25 1.13 0 O-C-N 120.124 -1.809 . . . . 0.0 108.02 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 2.3 p -104.35 164.59 11.63 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.06 -36.39 79.48 Favored 'General case' 0 C--O 1.201 -1.49 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -29.79 70.98 Favored 'General case' 0 C--O 1.266 1.922 0 C-N-CA 117.294 -1.762 . . . . 0.0 112.184 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.68 -39.01 70.39 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 122.454 1.121 . . . . 0.0 110.729 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.507 ' CG ' ' CZ ' ' B' ' 45' ' ' PHE . 79.4 m-85 -91.2 4.54 51.99 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.865 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.92 45.35 18.39 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 121.713 2.051 . . . . 0.0 111.276 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.457 HD13 ' HB2' ' B' ' 59' ' ' TYR . 1.0 OUTLIER -88.74 116.22 30.02 Favored 'Isoleucine or valine' 0 C--O 1.269 2.087 0 CA-C-O 115.098 -2.382 . . . . 0.0 106.239 175.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -103.32 169.53 8.49 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 126.08 2.113 . . . . 0.0 109.74 -176.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 142.97 27.11 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 123.228 1.49 . . . . 0.0 109.264 -176.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.403 0 N-CA-C 117.819 2.525 . . . . 0.0 117.819 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.4 t -71.07 159.56 34.5 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.06 126.63 52.13 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 118.153 -0.927 . . . . 0.0 108.801 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.476 ' N ' HD13 ' B' ' 67' ' ' LEU . 0.2 OUTLIER -103.18 154.57 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.667 -2.587 . . . . 0.0 105.699 175.071 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.571 ' C ' HD23 ' B' ' 69' ' ' LEU . 2.1 m-70 -105.58 135.73 46.46 Favored 'General case' 0 C--N 1.284 -2.28 0 O-C-N 127.581 3.051 . . . . 0.0 105.773 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.692 HD22 ' HG ' ' B' ' 43' ' ' LEU . 6.6 mt -107.05 115.87 30.94 Favored 'General case' 0 C--O 1.283 2.847 0 CA-C-O 117.596 -1.193 . . . . 0.0 111.419 176.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.651 HG13 HD11 ' B' ' 8' ' ' LEU . 39.8 t -108.13 139.92 28.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 103.472 -2.788 . . . . 0.0 103.472 175.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.834 HD12 ' C ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER -96.11 -83.43 0.37 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.057 0.456 . . . . 0.0 109.851 178.373 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.664 ' N ' ' HG ' ' B' ' 71' ' ' LEU . 4.3 ttp180 . . . . . 0 C--N 1.277 -2.586 0 CA-C-O 113.46 -3.162 . . . . 0.0 105.444 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.51 -0.596 0 CA-C-O 121.626 0.727 . . . . 0.0 110.716 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.01 137.88 31.91 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.59 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.26 -39.57 74.88 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.653 0.739 . . . . 0.0 111.828 172.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.7 t -144.36 136.19 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.184 1.394 . . . . 0.0 107.449 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -144.47 148.03 34.04 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.528 165.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -160.98 155.21 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.32 1.013 . . . . 0.0 111.148 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -72.24 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.18 -1.373 . . . . 0.0 112.331 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.18 147.65 6.73 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.098 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.87 25.22 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -179.24 3.79 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . 0.607 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.14 161.05 37.2 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . 0.607 ' N ' ' HG2' ' C' ' 31' ' ' MET . 3.4 m -136.66 156.48 48.49 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.131 -1.428 . . . . 0.0 108.794 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.71 116.16 28.76 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -112.35 115.87 29.43 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.11 8.69 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.289 -1.925 . . . . 0.0 108.289 -169.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.93 14.55 18.51 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.37 -0.415 . . . . 0.0 109.99 178.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 4.4 p -112.03 122.47 47.86 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -172.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.504 HG23 ' O ' ' C' ' 38' ' ' VAL . 35.4 m -76.09 120.04 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.18 119.37 26.43 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.161 -173.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.79 59.0 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.924 -0.917 . . . . 0.0 111.853 173.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.64 132.15 34.21 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 172.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -11.2 59.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.14 144.43 56.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -173.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 125.54 26.68 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 171.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.22 21.59 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.12 1.4 . . . . 0.0 115.404 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mt -128.32 124.4 36.38 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.4 t -90.96 137.62 21.34 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 164.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -152.01 157.77 42.16 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 122.043 0.925 . . . . 0.0 113.017 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.453 HG13 HD21 ' C' ' 128' ' ' LEU . 3.1 mm -118.77 131.09 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.325 174.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -134.04 137.61 44.81 Favored 'General case' 0 CA--C 1.492 -1.251 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -100.16 122.08 42.43 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -84.09 171.07 13.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.287 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -10.36 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.651 -0.819 . . . . 0.0 113.187 -170.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.71 7.36 15.13 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.316 -0.154 . . . . 0.0 110.948 170.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 29.4 t 73.86 -1.31 3.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.399 1.48 . . . . 0.0 114.695 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.91 149.94 39.29 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 119.24 -0.984 . . . . 0.0 113.11 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.21 129.1 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 8.4 m-70 -117.65 125.36 50.59 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -176.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . 0.428 ' HA ' HD13 ' C' ' 49' ' ' ILE . 22.4 t80 -98.88 119.02 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 171.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 93.1 m -127.7 156.78 41.83 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -130.43 128.35 41.14 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.523 -1.671 . . . . 0.0 108.728 169.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -120.69 134.33 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 113.993 -1.458 . . . . 0.0 109.801 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -74.26 115.32 13.63 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -32.38 73.9 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -176.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -46.17 55.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 32.5 t -91.36 -20.58 21.68 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.582 -176.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.67 2.65 61.11 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-O 119.711 -0.494 . . . . 0.0 113.722 -171.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.645 1.223 . . . . 0.0 113.195 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 34.5 t -84.17 109.1 17.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -94.55 -28.83 15.21 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.898 -171.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -121.97 135.57 54.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.808 0.813 . . . . 0.0 109.389 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -155.01 103.32 2.39 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.543 -2.391 . . . . 0.0 104.543 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.08 123.24 45.14 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.38 -1.282 . . . . 0.0 109.242 -174.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . 0.46 ' O ' ' O ' ' A' ' 47' ' ' GLY . 5.0 pt -75.84 124.35 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.374 1.083 . . . . 0.0 111.714 168.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.64 HD13 ' HB3' ' C' ' 128' ' ' LEU . 2.0 pp -122.99 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.415 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.645 -174.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.33 158.97 30.78 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.334 1.021 . . . . 0.0 110.826 173.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.31 133.88 58.13 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.91 2.407 . . . . 0.0 111.319 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.48 6.86 5.92 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 -175.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -33.66 71.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 119.061 0.846 . . . . 0.0 109.576 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 6.4 p -154.9 168.16 27.87 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.481 -1.288 . . . . 0.0 113.639 -173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -133.41 139.38 46.73 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 113.441 -1.709 . . . . 0.0 107.026 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -106.74 124.16 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.55 156.41 42.41 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -67.69 142.83 56.21 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.416 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 35.8 t -94.31 98.33 2.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 171.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -61.05 -31.87 91.37 Favored 'Trans proline' 0 N--CA 1.476 0.478 0 N-CA-C 117.786 2.187 . . . . 0.0 117.786 -167.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -91.08 8.6 34.7 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.929 -1.509 . . . . 0.0 112.273 -164.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 5.9 m -85.08 119.69 72.76 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.89 -19.92 33.94 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.408 -173.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 14.6 p -65.56 -34.63 78.7 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.421 0.555 . . . . 0.0 110.062 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.49 13.02 64.82 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.528 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -120.97 17.03 11.74 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 52.7 t -96.91 133.46 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -125.0 151.81 45.05 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.517 1.761 . . . . 0.0 110.388 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.08 135.27 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 57.9 tp -95.36 108.1 20.26 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 169.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -109.1 125.17 51.86 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 -171.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -84.84 115.76 22.92 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.058 0.849 . . . . 0.0 109.148 176.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . 0.861 ' O ' HD11 ' B' ' 44' ' ' ILE . 2.1 pttp -63.54 -25.1 68.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.344 -169.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.31 115.13 28.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.9 172.35 27.71 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -172.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.34 9.0 33.36 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.026 -0.69 . . . . 0.0 110.523 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -70.63 129.22 38.6 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.622 -165.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.15 141.74 46.0 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.854 175.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.4 mp -124.45 126.17 45.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -100.86 143.68 30.72 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.329 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -137.12 156.68 48.07 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.262 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -131.43 126.55 35.38 Favored 'General case' 0 N--CA 1.418 -2.035 0 C-N-CA 119.516 -0.874 . . . . 0.0 110.446 175.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -62.64 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.278 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.88 4.01 11.51 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.629 -1.168 . . . . 0.0 110.256 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.26 135.83 93.79 Favored Pre-proline 0 C--O 1.264 1.838 0 CA-C-O 123.154 1.454 . . . . 0.0 108.717 172.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.19 -41.34 43.47 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.568 -1.154 . . . . 0.0 112.482 -174.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.15 146.95 24.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 13.9 p -83.48 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.125 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -33.78 56.28 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.403 0.681 . . . . 0.0 112.767 -169.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.28 5.88 37.73 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -174.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.96 -1.096 . . . . 0.0 110.307 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.87 -32.2 70.45 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.543 -173.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.33 -44.04 80.1 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 175.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -55.61 -45.86 77.44 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.025 -1.047 . . . . 0.0 112.27 173.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 13.9 t -60.59 -43.07 97.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 121.695 0.76 . . . . 0.0 110.323 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -43.35 99.03 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.101 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -64.29 -42.29 96.48 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . 0.463 ' O ' ' HG ' ' C' ' 128' ' ' LEU . 55.4 t -52.36 -51.86 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.383 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.4 -39.49 87.53 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.27 -45.96 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.502 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -79.07 -24.44 43.52 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.38 -174.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.817 HD23 ' N ' ' C' ' 128' ' ' LEU . 0.3 OUTLIER -79.08 -36.06 41.4 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.751 -0.78 . . . . 0.0 112.273 174.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -110.8 -11.05 14.42 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -168.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -141.17 71.8 27.44 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 169.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -77.77 170.94 18.21 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 121.522 1.482 . . . . 0.0 111.642 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo . . . . . 0 C--N 1.29 -2.526 0 C-N-CA 122.372 2.048 . . . . 0.0 111.602 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.02 138.18 31.8 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 126.827 2.58 . . . . 0.0 108.943 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 4' ' ' PHE . 1.3 pp -131.25 162.97 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.37 0 CA-C-O 115.916 -1.992 . . . . 0.0 105.633 173.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.596 ' HB2' HG23 ' A' ' 66' ' ' THR . 4.5 m-85 -115.91 140.16 49.52 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.563 4.914 . . . . 0.0 108.785 179.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.456 HG23 HD11 ' A' ' 3' ' ' ILE . 94.9 t -118.03 114.16 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.632 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -95.17 127.59 41.34 Favored 'General case' 0 N--CA 1.506 2.328 1 O-C-N 129.374 4.171 . . . . 0.0 107.839 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.62 170.8 8.33 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.375 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -7.01 49.85 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 124.105 0.878 . . . . 0.0 112.638 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.7 p -101.49 15.08 29.99 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.695 -2.402 . . . . 0.0 111.983 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 16.73 80.24 Favored Glycine 0 C--N 1.297 -1.603 0 O-C-N 120.235 -1.54 . . . . 0.0 116.162 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.5 138.09 34.6 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 175.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -119.96 131.64 55.25 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 126.652 2.47 . . . . 0.0 105.952 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.9 mm -109.57 141.9 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 127.623 3.077 . . . . 0.0 108.891 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -101.33 139.63 36.74 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 117.231 -1.788 . . . . 0.0 108.193 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.443 HD11 HG21 ' A' ' 5' ' ' VAL . 23.2 mt -126.43 154.04 44.2 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.336 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -111.89 121.08 44.07 Favored 'General case' 0 N--CA 1.499 2.024 1 O-C-N 129.275 4.11 . . . . 0.0 103.627 173.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.8 m -138.95 170.6 15.99 Favored 'Isoleucine or valine' 0 C--O 1.255 1.365 0 O-C-N 127.565 3.041 . . . . 0.0 111.286 -177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -119.95 144.31 37.2 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 112.373 -2.194 . . . . 0.0 106.41 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -54.9 -24.34 38.51 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.553 2.169 . . . . 0.0 111.949 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.02 -8.08 59.17 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.967 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.05 148.39 47.6 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 117.435 -1.706 . . . . 0.0 109.813 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.76 160.52 21.23 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 175.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 34.9 mm -61.49 -37.13 77.08 Favored 'Isoleucine or valine' 0 C--O 1.246 0.903 0 O-C-N 127.157 2.785 . . . . 0.0 110.241 175.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -40.17 77.85 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.312 -0.868 . . . . 0.0 110.825 176.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.32 -41.91 80.12 Favored 'General case' 0 C--O 1.261 1.702 0 O-C-N 121.896 -0.502 . . . . 0.0 110.949 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.24 -46.44 88.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 124.428 1.08 . . . . 0.0 109.17 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -60.77 -37.95 83.6 Favored 'General case' 0 C--O 1.259 1.557 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.764 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.03 86.94 Favored 'General case' 0 C--O 1.278 2.575 0 CA-C-N 118.043 0.383 . . . . 0.0 111.163 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -37.61 88.06 Favored 'General case' 0 C--O 1.254 1.342 0 CA-C-O 123.072 1.415 . . . . 0.0 110.699 176.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.6 mt -70.02 -39.35 77.24 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.32 -48.76 78.4 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 125.488 2.566 . . . . 0.0 109.039 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.17 -41.78 65.55 Favored 'General case' 0 C--O 1.253 1.243 0 CA-C-N 113.515 -1.675 . . . . 0.0 111.954 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 34.9 tttt -93.61 -24.27 17.98 Favored 'General case' 0 C--O 1.281 2.73 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 -175.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -123.4 -6.42 8.19 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.103 2.683 . . . . 0.0 114.243 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.7 89.97 Favored Glycine 0 CA--C 1.479 -2.208 0 N-CA-C 118.978 2.351 . . . . 0.0 118.978 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 53.3 mt -79.73 124.78 83.35 Favored Pre-proline 0 C--O 1.245 0.854 0 C-N-CA 118.842 -1.143 . . . . 0.0 110.947 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 80.3 Cg_exo -56.97 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.561 0 C-N-CA 123.344 2.696 . . . . 0.0 110.774 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -57.2 -31.96 92.12 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 122.911 0.953 . . . . 0.0 113.645 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -15.26 63.47 Favored 'General case' 0 C--O 1.261 1.691 0 O-C-N 119.811 -1.806 . . . . 0.0 112.195 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -96.03 -10.23 29.0 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 120.68 -1.262 . . . . 0.0 112.004 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -84.86 129.6 34.79 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 124.389 2.042 . . . . 0.0 115.749 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 116.13 24.44 Favored 'General case' 0 C--O 1.299 3.672 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 171.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.82 ' HB2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -103.6 130.18 50.99 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.515 1.052 . . . . 0.0 109.922 -177.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' C' ' 76' ' ' PHE . 0.8 OUTLIER -122.02 131.88 72.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 O-C-N 125.154 1.534 . . . . 0.0 111.805 -177.471 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -144.47 129.49 18.52 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.16 19.6 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 112.198 -2.274 . . . . 0.0 110.765 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.63 21.71 60.86 Favored Glycine 0 N--CA 1.433 -1.536 0 C-N-CA 128.66 3.029 . . . . 0.0 117.465 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -115.04 142.73 46.24 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -85.87 130.31 34.59 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.426 HD23 HD12 ' A' ' 23' ' ' ILE . 3.1 mp -79.55 138.12 37.39 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 117.708 -1.139 . . . . 0.0 110.146 -175.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -101.67 140.07 36.46 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 125.071 1.482 . . . . 0.0 109.965 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.458 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -47.94 -42.55 27.71 Favored 'General case' 0 C--O 1.264 1.847 0 N-CA-C 120.732 3.604 . . . . 0.0 120.732 -175.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.69 -8.8 85.52 Favored Glycine 0 CA--C 1.49 -1.525 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.48 165.27 17.29 Favored 'General case' 0 C--O 1.251 1.164 0 O-C-N 119.837 -1.978 . . . . 0.0 108.1 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.6 p -104.37 164.95 11.38 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 176.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.517 ' HG ' HD13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -61.71 -35.92 79.42 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.292 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -29.39 70.49 Favored 'General case' 0 C--O 1.267 1.977 0 C-N-CA 117.322 -1.751 . . . . 0.0 112.219 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.61 -39.43 70.78 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 122.421 1.105 . . . . 0.0 110.753 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.474 ' HB2' HD12 ' A' ' 61' ' ' ILE . 55.8 m-85 -90.85 4.69 51.09 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.721 -1.133 . . . . 0.0 113.028 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.09 45.16 18.16 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.607 2.003 . . . . 0.0 111.229 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.517 HD13 ' HG ' ' A' ' 56' ' ' LEU . 4.1 mt -88.74 116.5 30.5 Favored 'Isoleucine or valine' 0 C--O 1.265 1.89 0 CA-C-O 115.162 -2.351 . . . . 0.0 106.183 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -103.52 169.72 8.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 126.15 2.156 . . . . 0.0 109.363 -176.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 pttp -54.92 142.87 28.04 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 123.262 1.506 . . . . 0.0 109.108 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.564 ' O ' HD22 ' B' ' 8' ' ' LEU . 81.5 mm-40 67.01 19.29 10.57 Favored 'General case' 0 C--O 1.254 1.308 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.21 159.59 34.37 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.705 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -119.1 126.75 52.36 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 118.093 -0.955 . . . . 0.0 108.855 175.777 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 43' ' ' LEU . 4.4 tt -103.11 154.56 19.15 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 114.755 -2.545 . . . . 0.0 105.647 175.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -105.68 135.71 46.61 Favored 'General case' 0 C--N 1.287 -2.132 0 O-C-N 127.382 2.926 . . . . 0.0 105.812 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -106.9 115.82 30.84 Favored 'General case' 0 C--O 1.285 2.967 0 CA-C-O 117.651 -1.166 . . . . 0.0 111.43 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -108.04 139.86 28.62 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 N-CA-C 103.59 -2.745 . . . . 0.0 103.59 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mp -96.06 138.91 33.01 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 121.302 0.572 . . . . 0.0 109.793 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 . . . . . 0 C--N 1.279 -2.485 0 CA-C-O 113.215 -3.279 . . . . 0.0 105.551 178.609 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptt? . . . . . 0 CA--C 1.548 0.866 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -90.88 138.39 31.63 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 127.101 2.751 . . . . 0.0 108.898 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 pt -131.14 163.13 37.83 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-O 115.782 -2.056 . . . . 0.0 105.89 173.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.844 ' O ' HD22 ' B' ' 67' ' ' LEU . 7.9 m-85 -116.04 140.15 49.56 Favored 'General case' 0 N--CA 1.515 2.791 1 O-C-N 130.653 4.971 . . . . 0.0 108.585 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.436 ' O ' HG22 ' B' ' 5' ' ' VAL . 0.1 OUTLIER -117.92 114.09 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-O 113.432 -3.175 . . . . 0.0 105.823 175.512 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -95.12 127.62 41.32 Favored 'General case' 0 N--CA 1.503 2.19 1 O-C-N 129.164 4.04 . . . . 0.0 108.107 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.9 p -99.6 170.84 8.3 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 117.846 -1.073 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.705 HD23 ' OG1' ' A' ' 66' ' ' THR . 0.3 OUTLIER -73.31 -7.09 50.11 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.976 0.797 . . . . 0.0 112.833 -178.26 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -101.23 14.83 30.72 Favored 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 115.642 -2.423 . . . . 0.0 112.034 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.58 16.52 80.14 Favored Glycine 0 C--N 1.298 -1.569 0 O-C-N 120.121 -1.612 . . . . 0.0 116.005 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -96.22 137.9 34.62 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 174.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.423 HG21 ' HD2' ' B' ' 4' ' ' PHE . 6.8 m -119.9 131.86 55.37 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 126.413 2.321 . . . . 0.0 106.263 176.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -109.46 141.77 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 127.702 3.127 . . . . 0.0 109.156 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.5 p -101.11 139.92 36.12 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 117.014 -1.874 . . . . 0.0 108.434 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.6 154.04 44.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 115.48 -2.2 . . . . 0.0 108.305 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.8 121.14 44.26 Favored 'General case' 0 N--CA 1.495 1.812 1 O-C-N 129.341 4.15 . . . . 0.0 103.52 174.086 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.06 170.57 15.92 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 O-C-N 127.841 3.213 . . . . 0.0 111.29 -177.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -119.98 144.65 38.0 Favored Pre-proline 0 C--N 1.313 -0.987 0 CA-C-N 112.14 -2.3 . . . . 0.0 106.349 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -54.93 -24.69 40.39 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 C-N-CA 122.72 2.28 . . . . 0.0 111.531 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -79.94 -8.15 59.17 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.943 -177.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.04 148.47 47.53 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.336 -1.745 . . . . 0.0 109.761 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.81 160.47 21.19 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 175.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.781 HG13 HD12 ' B' ' 50' ' ' LEU . 8.4 mm -61.38 -36.88 75.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 127.0 2.688 . . . . 0.0 110.367 175.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.07 -42.97 77.5 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 120.399 -1.438 . . . . 0.0 111.018 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -64.37 -44.58 90.94 Favored 'General case' 0 C--O 1.25 1.124 0 C-N-CA 124.246 1.018 . . . . 0.0 111.471 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 t -58.56 -46.35 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.314 -1.312 . . . . 0.0 108.956 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -60.66 -38.04 83.55 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.848 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.96 86.55 Favored 'General case' 0 C--O 1.277 2.515 0 O-C-N 123.451 0.47 . . . . 0.0 111.345 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -64.03 -37.4 87.3 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 120.51 -1.369 . . . . 0.0 110.888 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.5 mt -69.73 -39.76 78.39 Favored 'Isoleucine or valine' 0 C--O 1.254 1.3 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -61.94 -48.8 78.77 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 125.534 2.588 . . . . 0.0 109.045 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -41.84 66.3 Favored 'General case' 0 C--O 1.257 1.499 0 CA-C-N 113.651 -1.613 . . . . 0.0 111.887 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.326 1.8 tppp? -93.29 -24.45 18.14 Favored 'General case' 0 C--O 1.279 2.647 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.58 -6.31 8.09 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 122.886 2.585 . . . . 0.0 113.789 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.66 90.0 Favored Glycine 0 CA--C 1.477 -2.287 0 N-CA-C 118.762 2.265 . . . . 0.0 118.762 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 63.7 mt -79.96 124.97 82.84 Favored Pre-proline 0 C--O 1.243 0.727 0 C-N-CA 118.695 -1.202 . . . . 0.0 111.011 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.4 Cg_exo -57.08 136.9 79.36 Favored 'Trans proline' 0 C--O 1.256 1.407 0 C-N-CA 123.015 2.476 . . . . 0.0 110.924 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.1 Cg_exo -57.19 -32.14 92.64 Favored 'Trans proline' 0 C--O 1.261 1.661 0 O-C-N 123.028 1.015 . . . . 0.0 113.453 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -68.29 -15.63 63.64 Favored 'General case' 0 C--O 1.266 1.945 0 O-C-N 119.906 -1.746 . . . . 0.0 112.13 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.808 ' HB3' HD11 ' B' ' 71' ' ' LEU . 11.7 mm100 -95.42 -10.69 29.21 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 120.447 -1.408 . . . . 0.0 112.286 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -84.79 129.68 34.78 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 124.252 1.977 . . . . 0.0 115.728 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -121.21 116.09 24.26 Favored 'General case' 0 C--O 1.299 3.697 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 172.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.57 130.28 50.97 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 119.533 1.06 . . . . 0.0 110.003 -177.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.639 ' C ' ' CD1' ' B' ' 45' ' ' PHE . 2.3 mt -122.09 131.64 72.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 O-C-N 125.14 1.525 . . . . 0.0 112.003 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 1.003 ' O ' ' OH ' ' B' ' 59' ' ' TYR . 0.0 OUTLIER -144.24 129.82 19.07 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 177.504 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.468 ' HB3' ' OH ' ' B' ' 59' ' ' TYR . . . 48.12 45.95 19.56 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 111.967 -2.379 . . . . 0.0 110.649 177.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.9 20.25 59.71 Favored Glycine 0 C--N 1.3 -1.462 0 C-N-CA 128.207 2.813 . . . . 0.0 117.32 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' B' ' 59' ' ' TYR . 7.7 mtp180 -109.96 143.77 39.45 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 115.344 -2.265 . . . . 0.0 110.96 174.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.14 130.32 34.57 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 103.991 -2.596 . . . . 0.0 103.991 173.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.839 HD23 ' CD1' ' B' ' 45' ' ' PHE . 1.1 mm? -79.62 138.48 37.43 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 117.674 -1.155 . . . . 0.0 110.068 -175.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -101.91 139.99 36.8 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 125.18 1.55 . . . . 0.0 109.957 -177.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.32 -41.97 29.82 Favored 'General case' 0 C--O 1.263 1.768 0 N-CA-C 120.738 3.607 . . . . 0.0 120.738 -175.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.24 -8.52 85.23 Favored Glycine 0 CA--C 1.492 -1.353 0 N-CA-C 116.025 1.17 . . . . 0.0 116.025 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -85.65 165.35 17.08 Favored 'General case' 0 C--O 1.25 1.089 0 O-C-N 120.12 -1.812 . . . . 0.0 107.95 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 34.8 p -104.44 164.57 11.65 Favored 'General case' 0 C--N 1.313 -1.022 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 177.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -36.3 79.53 Favored 'General case' 0 C--O 1.201 -1.471 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.3 m -63.68 -29.76 70.94 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.234 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.63 -39.08 70.35 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.518 1.151 . . . . 0.0 110.817 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 1.003 ' OH ' ' O ' ' B' ' 45' ' ' PHE . 14.5 t80 -91.06 4.51 51.93 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.876 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.92 45.38 18.34 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.759 2.072 . . . . 0.0 111.303 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.4 mt -88.78 116.24 30.07 Favored 'Isoleucine or valine' 0 C--O 1.271 2.196 0 CA-C-O 115.054 -2.403 . . . . 0.0 106.305 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.32 169.62 8.44 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 126.152 2.158 . . . . 0.0 109.759 -176.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 123.106 1.431 . . . . 0.0 109.217 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 66.94 19.17 10.63 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 174.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.4 t -118.94 126.62 52.19 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 118.189 -0.91 . . . . 0.0 108.829 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.844 HD22 ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -103.15 154.54 19.2 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 114.719 -2.562 . . . . 0.0 105.767 174.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -105.52 135.79 46.27 Favored 'General case' 0 C--N 1.283 -2.308 0 O-C-N 127.525 3.016 . . . . 0.0 105.734 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -107.18 115.78 30.77 Favored 'General case' 0 C--O 1.283 2.816 0 CA-C-O 117.639 -1.172 . . . . 0.0 111.42 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t -108.02 139.88 28.51 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 103.506 -2.776 . . . . 0.0 103.506 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.44 0.37 Allowed 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.079 0.466 . . . . 0.0 109.834 178.367 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.448 ' HB2' ' H ' ' C' ' 102' ' ' SER . 0.5 OUTLIER . . . . . 0 C--N 1.277 -2.546 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.48 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.589 0.709 . . . . 0.0 110.639 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -89.09 137.88 31.92 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.535 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 75.3 mt -70.19 -39.59 75.12 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.646 0.736 . . . . 0.0 111.873 172.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 39.0 t -144.3 136.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 125.197 1.399 . . . . 0.0 107.464 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.37 148.06 34.22 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.59 165.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -161.06 155.18 22.74 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.248 0.968 . . . . 0.0 111.242 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.21 127.81 33.72 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.316 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.22 147.71 6.69 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.048 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.83 25.08 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.276 -1.929 . . . . 0.0 108.276 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.07 -179.25 3.8 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . 0.788 ' HG2' ' HB3' ' C' ' 106' ' ' PHE . 0.0 OUTLIER -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . 0.508 ' N ' ' SD ' ' C' ' 31' ' ' MET . 26.0 t -136.64 156.57 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.108 -1.437 . . . . 0.0 108.781 177.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.78 116.1 28.72 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -112.28 115.82 29.39 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 172.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.32 -116.05 8.61 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 11.6 t -113.97 14.52 18.46 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.378 -0.411 . . . . 0.0 109.958 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -112.01 122.51 47.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -172.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.505 HG23 ' O ' ' C' ' 38' ' ' VAL . 35.2 m -76.14 119.97 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 174.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 54.5 m -124.14 119.37 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.161 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.86 134.79 59.21 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 117.959 -0.894 . . . . 0.0 111.855 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -85.81 132.21 34.16 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 172.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -11.3 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -172.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 144.39 56.16 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 171.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . 0.461 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.29 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.299 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -128.41 124.38 36.15 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 65.9 t -91.03 137.59 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 164.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -151.94 157.85 42.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.918 0.866 . . . . 0.0 113.041 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 55.3 mt -118.8 131.05 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 113.577 -1.647 . . . . 0.0 108.341 174.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -133.98 137.6 44.9 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.348 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -100.23 122.01 42.37 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 170.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 67.8 p -84.01 171.17 13.2 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.268 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -71.58 -10.44 59.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.677 -0.809 . . . . 0.0 113.165 -170.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.85 -1.35 3.09 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.419 1.487 . . . . 0.0 114.671 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mp -74.83 149.9 39.46 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.124 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 4.1 mm -102.21 129.02 54.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.6 m170 -117.56 125.34 50.64 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -176.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -98.75 118.96 36.67 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 171.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 29.8 m -127.71 156.92 41.63 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.55 128.21 40.65 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.554 -1.657 . . . . 0.0 108.715 169.371 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -120.59 134.27 55.3 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.805 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.18 115.3 13.52 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 173.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -64.03 -32.39 73.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 80.8 p -72.53 -46.1 56.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 1.3 p -91.49 -20.48 21.69 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.597 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.74 60.89 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.723 -171.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -72.48 129.99 39.62 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.17 109.16 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.51 -28.83 15.24 Favored 'General case' 0 C--O 1.206 -1.236 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.984 -171.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -122.02 135.53 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.838 0.828 . . . . 0.0 109.386 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.97 103.3 2.39 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.02 123.25 45.23 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.259 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mt -75.87 124.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.391 1.091 . . . . 0.0 111.661 168.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 47.5 mm -122.97 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.381 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.607 -174.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . 0.546 ' HB2' HD11 ' A' ' 44' ' ' ILE . 4.8 m-85 -101.29 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 124.36 1.038 . . . . 0.0 110.861 173.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.33 133.91 58.37 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.861 2.374 . . . . 0.0 111.371 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.57 6.72 5.85 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -175.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -70.29 -33.7 71.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 119.008 0.822 . . . . 0.0 109.617 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -154.87 168.14 27.9 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.477 -1.289 . . . . 0.0 113.601 -173.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -133.41 139.34 46.7 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.468 -1.696 . . . . 0.0 106.998 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.466 ' CD1' HG21 ' C' ' 124' ' ' VAL . 4.7 t80 -106.79 124.17 49.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.51 156.53 42.57 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -177.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -67.85 142.9 55.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.01 -0.995 . . . . 0.0 108.408 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . 0.851 ' HB ' HG23 ' C' ' 93' ' ' VAL . 2.6 t -94.33 98.39 2.93 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -61.0 -32.0 91.87 Favored 'Trans proline' 0 N--CA 1.476 0.45 0 N-CA-C 117.796 2.191 . . . . 0.0 117.796 -167.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -91.09 8.61 34.67 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.207 -164.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . 0.455 ' HB2' HG21 ' C' ' 93' ' ' VAL . 0.5 OUTLIER -85.07 119.6 72.66 Favored Pre-proline 0 CA--C 1.516 -0.351 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.545 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.92 -19.91 34.07 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.033 1.018 . . . . 0.0 114.425 -173.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -34.66 78.8 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.399 0.545 . . . . 0.0 110.06 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.51 13.0 64.84 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.529 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -121.0 17.11 11.71 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . 0.851 HG23 ' HB ' ' C' ' 85' ' ' VAL . 24.7 m -97.07 133.43 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 173.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -125.06 151.77 45.21 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 125.552 1.783 . . . . 0.0 110.43 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.93 135.4 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.52 108.08 20.29 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -109.21 125.11 51.88 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -171.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -84.74 115.7 22.84 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.066 0.854 . . . . 0.0 109.199 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . 0.528 ' HD3' HD13 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.43 -25.16 68.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.353 -169.592 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.34 115.18 28.86 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 173.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.89 172.41 27.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 -172.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . 0.448 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 0.1 OUTLIER -91.42 9.06 33.31 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.042 -0.681 . . . . 0.0 110.562 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 tppm? -70.7 129.17 38.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 117.928 -1.509 . . . . 0.0 110.496 -165.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.8 46.19 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.94 175.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 61.5 mt -124.51 126.12 45.33 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 171.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . 0.788 ' HB3' ' HG2' ' C' ' 31' ' ' MET . 0.1 OUTLIER -100.83 143.67 30.7 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 124.674 1.234 . . . . 0.0 110.289 -177.515 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . 0.49 ' N ' ' CD1' ' C' ' 106' ' ' PHE . 82.4 m-85 -137.09 156.68 48.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.262 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 17.4 t90 -131.43 126.55 35.41 Favored 'General case' 0 N--CA 1.419 -1.993 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.389 175.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 15.1 mmt -62.66 137.82 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.278 -174.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -118.91 3.96 11.5 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.216 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.31 135.86 93.87 Favored Pre-proline 0 C--O 1.265 1.913 0 CA-C-O 123.058 1.408 . . . . 0.0 108.665 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.21 -41.41 42.84 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.636 -1.109 . . . . 0.0 112.426 -174.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.6 p -83.4 -9.27 59.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.231 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -53.54 -33.84 56.05 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.389 0.676 . . . . 0.0 112.797 -169.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -103.26 5.97 37.84 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -56.95 -48.8 77.47 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 118.983 -1.087 . . . . 0.0 110.212 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.87 -32.16 70.38 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 119.396 -0.922 . . . . 0.0 110.511 -173.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -67.38 -44.0 79.99 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 175.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -55.6 -45.91 77.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.025 -1.047 . . . . 0.0 112.264 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . 0.726 ' O ' ' CG1' ' C' ' 124' ' ' VAL . 0.0 OUTLIER -60.61 -43.0 97.94 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.705 0.765 . . . . 0.0 110.336 179.035 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -61.98 -43.47 98.77 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.05 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -42.37 96.66 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . 0.726 ' CG1' ' O ' ' C' ' 121' ' ' CYS . 1.4 p -52.27 -51.92 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.42 175.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . 0.515 ' HA ' HD23 ' C' ' 128' ' ' LEU . 5.0 t-20 -60.34 -39.47 87.21 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.29 -45.97 82.27 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.526 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -79.09 -24.42 43.47 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.35 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.04 -36.14 41.52 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.794 -0.763 . . . . 0.0 112.24 174.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . 0.466 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.74 -11.07 14.44 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -168.581 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -141.18 71.93 27.29 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 169.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.28 167.59 19.35 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 121.592 1.528 . . . . 0.0 111.58 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--N 1.29 -2.522 0 C-N-CA 122.497 2.131 . . . . 0.0 111.656 179.87 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mmm . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -91.12 138.21 31.77 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 126.824 2.577 . . . . 0.0 108.936 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -131.27 163.03 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.361 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CE2' HG22 ' A' ' 14' ' ' THR . 0.2 OUTLIER -115.99 140.18 49.51 Favored 'General case' 0 N--CA 1.513 2.695 1 O-C-N 130.543 4.902 . . . . 0.0 108.725 179.694 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.801 ' CB ' HD21 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -118.01 114.21 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-O 113.357 -3.211 . . . . 0.0 105.591 175.745 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -95.22 127.58 41.38 Favored 'General case' 0 N--CA 1.505 2.3 1 O-C-N 129.422 4.201 . . . . 0.0 107.932 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -99.64 170.84 8.3 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.314 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.38 -6.99 49.78 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.057 0.848 . . . . 0.0 112.65 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -101.58 15.1 29.95 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 115.711 -2.395 . . . . 0.0 111.965 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.31 16.83 80.09 Favored Glycine 0 C--N 1.296 -1.644 0 O-C-N 120.222 -1.549 . . . . 0.0 116.033 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 138.18 34.49 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 174.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.08 131.65 55.16 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.624 2.453 . . . . 0.0 105.913 176.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.7 mm -109.57 141.91 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 127.678 3.111 . . . . 0.0 108.884 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.443 HG22 ' CE2' ' A' ' 4' ' ' PHE . 1.3 p -101.39 139.68 36.71 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 117.162 -1.815 . . . . 0.0 108.151 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mt -126.41 154.08 44.11 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 115.434 -2.222 . . . . 0.0 108.371 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -111.88 121.03 43.92 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.293 4.12 . . . . 0.0 103.63 174.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 m -138.92 170.69 15.89 Favored 'Isoleucine or valine' 0 C--O 1.255 1.382 0 O-C-N 127.529 3.018 . . . . 0.0 111.222 -177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -119.97 144.44 37.51 Favored Pre-proline 0 C--N 1.315 -0.929 0 CA-C-N 112.35 -2.204 . . . . 0.0 106.3 174.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -54.96 -24.28 38.69 Favored 'Trans proline' 0 C--N 1.322 -0.862 0 C-N-CA 122.445 2.096 . . . . 0.0 112.008 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 p -80.09 -8.07 59.2 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.905 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.05 148.44 47.55 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 117.457 -1.697 . . . . 0.0 109.835 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -83.81 160.49 21.19 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.689 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -61.45 -37.04 76.83 Favored 'Isoleucine or valine' 0 C--O 1.245 0.832 0 O-C-N 127.155 2.784 . . . . 0.0 110.253 175.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.61 -40.23 78.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.384 -0.823 . . . . 0.0 110.7 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.23 -41.98 80.44 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 121.828 -0.545 . . . . 0.0 110.96 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.18 -46.42 88.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -60.91 -37.83 83.62 Favored 'General case' 0 C--O 1.259 1.585 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.678 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.15 87.39 Favored 'General case' 0 C--O 1.277 2.502 0 CA-C-N 118.116 0.417 . . . . 0.0 111.142 176.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -64.05 -37.49 87.63 Favored 'General case' 0 C--O 1.253 1.287 0 CA-C-O 123.087 1.423 . . . . 0.0 110.721 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -39.52 77.51 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.26 -48.71 78.7 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 125.539 2.59 . . . . 0.0 109.078 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.23 -41.77 65.72 Favored 'General case' 0 C--O 1.253 1.239 0 CA-C-N 113.415 -1.72 . . . . 0.0 111.925 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 0.0 OUTLIER -93.63 -24.16 18.0 Favored 'General case' 0 C--O 1.281 2.756 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -175.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.44 -6.47 8.17 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 123.132 2.696 . . . . 0.0 114.252 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.76 89.93 Favored Glycine 0 CA--C 1.478 -2.254 0 N-CA-C 118.916 2.327 . . . . 0.0 118.916 176.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 39.0 mt -79.77 124.71 83.3 Favored Pre-proline 0 C--O 1.244 0.813 0 C-N-CA 118.908 -1.117 . . . . 0.0 110.936 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 82.2 Cg_exo -56.88 136.84 78.83 Favored 'Trans proline' 0 C--O 1.257 1.468 0 C-N-CA 123.317 2.678 . . . . 0.0 110.877 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.8 Cg_exo -57.17 -31.97 92.1 Favored 'Trans proline' 0 C--O 1.263 1.765 0 O-C-N 123.031 1.016 . . . . 0.0 113.665 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -15.4 63.53 Favored 'General case' 0 C--O 1.262 1.717 0 O-C-N 119.787 -1.821 . . . . 0.0 112.235 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.89 -10.33 29.08 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 120.639 -1.288 . . . . 0.0 112.026 178.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.85 129.61 34.79 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 124.305 2.002 . . . . 0.0 115.754 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.06 116.02 24.23 Favored 'General case' 0 C--O 1.299 3.686 0 N-CA-C 104.983 -2.229 . . . . 0.0 104.983 171.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' C ' HD13 ' A' ' 44' ' ' ILE . 1.4 mp -103.48 130.21 50.79 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 119.504 1.047 . . . . 0.0 109.962 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.434 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -122.11 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.844 0 O-C-N 125.183 1.552 . . . . 0.0 111.846 -177.513 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -144.36 129.52 18.66 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.18 19.42 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.283 -2.235 . . . . 0.0 110.704 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 21.8 60.83 Favored Glycine 0 N--CA 1.432 -1.578 0 C-N-CA 128.674 3.035 . . . . 0.0 117.459 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.09 142.84 46.1 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -85.9 130.22 34.61 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 103.764 -2.68 . . . . 0.0 103.764 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 23' ' ' ILE . 4.9 mt -79.5 138.15 37.45 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 117.705 -1.14 . . . . 0.0 110.139 -175.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -101.68 140.08 36.46 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.087 1.492 . . . . 0.0 109.974 -177.704 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.689 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 40.2 m-20 -47.97 -42.56 27.99 Favored 'General case' 0 C--O 1.264 1.819 0 N-CA-C 120.8 3.63 . . . . 0.0 120.8 -175.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.58 -8.87 85.52 Favored Glycine 0 CA--C 1.489 -1.549 0 N-CA-C 116.274 1.27 . . . . 0.0 116.274 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 23' ' ' ILE . 5.7 mmt-85 -85.46 165.4 17.19 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 119.735 -2.038 . . . . 0.0 107.993 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.1 p -104.5 164.86 11.45 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.64 -36.04 79.65 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.0 p -64.17 -29.38 70.5 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 117.284 -1.766 . . . . 0.0 112.182 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.57 -39.6 70.88 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 122.314 1.054 . . . . 0.0 110.59 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -90.78 4.7 50.93 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 117.704 -1.141 . . . . 0.0 112.977 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.0 45.22 18.34 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.643 2.019 . . . . 0.0 111.243 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.7 mt -88.62 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.266 1.973 0 CA-C-O 115.087 -2.387 . . . . 0.0 106.246 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.51 169.7 8.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 126.159 2.162 . . . . 0.0 109.348 -176.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -54.93 142.89 27.97 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 123.24 1.495 . . . . 0.0 109.117 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.455 ' CG ' HG22 ' B' ' 9' ' ' THR . 20.6 mt-10 67.18 19.06 10.4 Favored 'General case' 0 C--O 1.254 1.298 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -71.12 159.63 34.35 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.469 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.8 OUTLIER -119.25 126.74 52.21 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 118.239 -0.886 . . . . 0.0 108.76 175.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.13 154.51 19.22 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 114.776 -2.535 . . . . 0.0 105.649 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.6 ' C ' HD13 ' A' ' 69' ' ' LEU . 1.8 m-70 -105.59 135.6 46.71 Favored 'General case' 0 C--N 1.286 -2.153 0 O-C-N 127.387 2.93 . . . . 0.0 105.918 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.801 HD21 ' CB ' ' A' ' 5' ' ' VAL . 0.5 OUTLIER -106.87 115.78 30.79 Favored 'General case' 0 C--O 1.285 2.969 0 CA-C-O 117.617 -1.183 . . . . 0.0 111.445 176.701 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.1 t -108.0 139.88 28.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 103.62 -2.733 . . . . 0.0 103.62 174.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.01 138.95 32.91 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.283 0.564 . . . . 0.0 109.856 178.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.505 0 CA-C-O 113.12 -3.324 . . . . 0.0 105.611 178.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.98 138.51 31.55 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 127.194 2.809 . . . . 0.0 108.818 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.0 pt -131.2 163.04 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 CA-C-O 115.793 -2.051 . . . . 0.0 105.886 173.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.92 140.16 49.52 Favored 'General case' 0 N--CA 1.514 2.757 1 O-C-N 130.585 4.928 . . . . 0.0 108.611 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.556 HG13 HG23 ' B' ' 13' ' ' ILE . 0.2 OUTLIER -117.97 114.13 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-O 113.482 -3.151 . . . . 0.0 105.71 175.537 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -95.12 127.72 41.39 Favored 'General case' 0 N--CA 1.501 2.106 1 O-C-N 129.133 4.021 . . . . 0.0 108.194 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.69 170.81 8.31 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.249 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.531 HD21 ' HA ' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -73.33 -7.05 49.98 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 124.128 0.893 . . . . 0.0 112.852 -178.277 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.455 HG22 ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -101.14 14.82 30.74 Favored 'General case' 0 N--CA 1.506 2.364 0 C-N-CA 115.685 -2.406 . . . . 0.0 112.027 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.56 80.18 Favored Glycine 0 C--N 1.295 -1.713 0 O-C-N 120.271 -1.518 . . . . 0.0 116.103 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -96.21 137.9 34.6 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.5 t -119.86 131.89 55.4 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 126.419 2.324 . . . . 0.0 106.209 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.556 HG23 HG13 ' B' ' 5' ' ' VAL . 0.0 OUTLIER -109.48 141.76 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 127.777 3.173 . . . . 0.0 109.13 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -101.21 139.91 36.24 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 116.958 -1.897 . . . . 0.0 108.343 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mp -126.53 154.05 44.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 115.401 -2.238 . . . . 0.0 108.45 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -111.82 121.24 44.51 Favored 'General case' 0 N--CA 1.496 1.831 1 O-C-N 129.261 4.101 . . . . 0.0 103.542 174.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.05 170.64 15.83 Favored 'Isoleucine or valine' 0 C--O 1.253 1.267 0 O-C-N 127.79 3.181 . . . . 0.0 111.157 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -120.1 144.62 38.13 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 112.079 -2.328 . . . . 0.0 106.306 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -54.81 -24.88 40.3 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 122.742 2.295 . . . . 0.0 111.532 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -8.2 59.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.913 -177.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.09 148.5 47.41 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 117.279 -1.769 . . . . 0.0 109.758 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.8 p -83.8 160.47 21.2 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.679 HD12 ' O ' ' B' ' 54' ' ' ARG . 1.7 mp -61.47 -36.7 74.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 126.906 2.629 . . . . 0.0 110.398 175.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.787 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.14 -42.94 77.72 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 120.355 -1.466 . . . . 0.0 111.008 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -64.46 -44.47 90.98 Favored 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.215 1.006 . . . . 0.0 111.415 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.68 -46.28 90.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.894 1.371 . . . . 0.0 108.948 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -60.65 -38.05 83.56 Favored 'General case' 0 C--O 1.255 1.377 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.864 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.97 86.62 Favored 'General case' 0 C--O 1.277 2.504 0 O-C-N 123.414 0.446 . . . . 0.0 111.35 176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -37.39 87.24 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 120.505 -1.372 . . . . 0.0 110.892 175.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 15.7 mt -69.83 -39.75 78.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.319 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -48.91 78.35 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 125.502 2.572 . . . . 0.0 108.923 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -53.38 -41.77 66.24 Favored 'General case' 0 C--O 1.256 1.428 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.853 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 0.0 OUTLIER -93.44 -24.37 18.06 Favored 'General case' 0 C--O 1.28 2.697 0 N-CA-C 117.182 2.29 . . . . 0.0 117.182 -175.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.6 -6.3 8.08 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 122.906 2.594 . . . . 0.0 113.792 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.63 90.02 Favored Glycine 0 CA--C 1.476 -2.402 0 N-CA-C 118.767 2.267 . . . . 0.0 118.767 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.489 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 26.6 mt -79.85 125.01 83.01 Favored Pre-proline 0 C--O 1.243 0.712 0 C-N-CA 118.673 -1.211 . . . . 0.0 111.04 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 79.7 Cg_exo -57.1 137.03 80.07 Favored 'Trans proline' 0 C--O 1.257 1.429 0 C-N-CA 122.952 2.435 . . . . 0.0 110.91 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.2 Cg_exo -57.25 -32.17 92.86 Favored 'Trans proline' 0 C--O 1.26 1.618 0 O-C-N 123.09 1.047 . . . . 0.0 113.366 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -68.36 -15.49 63.58 Favored 'General case' 0 C--O 1.265 1.874 0 O-C-N 120.035 -1.665 . . . . 0.0 112.155 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.545 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.54 -10.63 29.12 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.497 -1.377 . . . . 0.0 112.201 178.442 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -84.88 129.65 34.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 124.246 1.974 . . . . 0.0 115.717 -177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -121.1 116.11 24.37 Favored 'General case' 0 C--O 1.298 3.639 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 172.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.469 ' HB3' HD13 ' B' ' 67' ' ' LEU . 7.7 mt -103.58 130.2 50.97 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 119.474 1.034 . . . . 0.0 110.025 -177.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.575 ' C ' ' CD1' ' B' ' 45' ' ' PHE . 0.1 OUTLIER -121.84 131.55 72.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.68 0 O-C-N 125.159 1.537 . . . . 0.0 112.109 -177.578 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.93 ' CZ ' HD22 ' B' ' 50' ' ' LEU . 0.0 OUTLIER -144.17 129.78 19.11 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.426 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 45.93 19.78 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 112.068 -2.333 . . . . 0.0 110.719 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 20.26 59.55 Favored Glycine 0 C--N 1.297 -1.591 0 C-N-CA 128.352 2.882 . . . . 0.0 117.346 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -109.88 143.79 39.28 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 115.391 -2.243 . . . . 0.0 110.921 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.1 130.3 34.56 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 104.068 -2.568 . . . . 0.0 104.068 173.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.93 HD22 ' CZ ' ' B' ' 45' ' ' PHE . 0.8 OUTLIER -79.59 138.48 37.47 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 117.54 -1.219 . . . . 0.0 110.049 -175.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -101.94 140.04 36.76 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 125.302 1.626 . . . . 0.0 109.958 -177.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.787 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.4 OUTLIER -48.31 -42.01 29.82 Favored 'General case' 0 C--O 1.261 1.708 0 N-CA-C 120.756 3.613 . . . . 0.0 120.756 -175.744 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.58 85.1 Favored Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.679 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -85.61 165.26 17.17 Favored 'General case' 0 C--O 1.249 1.061 0 O-C-N 120.14 -1.8 . . . . 0.0 108.006 176.42 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 22.1 p -104.26 164.53 11.66 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.05 -36.52 79.79 Favored 'General case' 0 C--O 1.2 -1.51 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 72.5 p -63.57 -29.78 70.98 Favored 'General case' 0 C--O 1.266 1.96 0 C-N-CA 117.257 -1.777 . . . . 0.0 112.227 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -38.91 70.24 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 122.582 1.182 . . . . 0.0 110.899 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -91.17 4.5 52.08 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.631 -1.176 . . . . 0.0 112.912 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.92 45.43 18.27 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 121.687 2.04 . . . . 0.0 111.241 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.5 mm -88.71 116.29 30.12 Favored 'Isoleucine or valine' 0 C--O 1.27 2.171 0 CA-C-O 114.979 -2.439 . . . . 0.0 106.25 175.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 126.183 2.177 . . . . 0.0 109.706 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -54.86 142.93 27.49 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 123.178 1.465 . . . . 0.0 109.315 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.07 19.03 10.54 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.871 2.545 . . . . 0.0 117.871 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 6.1 t -71.04 159.63 34.39 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.04 126.62 52.12 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 118.165 -0.921 . . . . 0.0 108.776 175.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.497 ' CB ' ' CE2' ' B' ' 45' ' ' PHE . 1.5 pp -103.24 154.54 19.24 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 114.795 -2.526 . . . . 0.0 105.715 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.447 ' C ' HD12 ' B' ' 67' ' ' LEU . 0.9 OUTLIER -105.53 135.75 46.37 Favored 'General case' 0 C--N 1.284 -2.246 0 O-C-N 127.522 3.014 . . . . 0.0 105.742 178.011 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.04 115.8 30.82 Favored 'General case' 0 C--O 1.283 2.868 0 CA-C-O 117.696 -1.145 . . . . 0.0 111.462 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.531 ' HA ' HD21 ' B' ' 8' ' ' LEU . 46.3 t -108.05 139.97 28.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 103.449 -2.797 . . . . 0.0 103.449 175.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.582 ' C ' HD23 ' B' ' 71' ' ' LEU . 3.3 tt -96.2 -83.49 0.37 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.442 ' HA ' ' HA2' ' C' ' 101' ' ' GLY . 9.0 ttp85 . . . . . 0 C--N 1.277 -2.577 0 CA-C-O 113.4 -3.19 . . . . 0.0 105.405 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 121.656 0.741 . . . . 0.0 110.628 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.06 137.95 31.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.536 -178.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.25 -39.57 74.95 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.662 0.744 . . . . 0.0 111.885 172.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 t -144.39 136.1 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 125.164 1.386 . . . . 0.0 107.413 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -144.29 148.12 34.41 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.574 165.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -161.05 155.19 22.79 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 124.222 0.951 . . . . 0.0 111.181 173.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.23 127.8 33.69 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.336 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.17 147.77 6.78 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.07 0.938 . . . . 0.0 110.057 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.92 25.14 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -179.27 3.79 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . 0.54 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.13 161.04 37.22 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . 0.54 ' N ' ' HG2' ' C' ' 31' ' ' MET . 12.5 p -136.66 156.56 48.37 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.042 -1.463 . . . . 0.0 108.75 177.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 mp -92.74 116.16 28.77 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -112.37 115.8 29.31 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -113.99 14.49 18.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.903 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -111.99 122.55 48.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.504 HG23 ' O ' ' C' ' 38' ' ' VAL . 35.2 m -76.14 120.03 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 174.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 59.4 m -124.05 119.31 26.6 Favored Pre-proline 0 C--O 1.245 0.846 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.216 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.89 134.9 59.76 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 CA-C-O 122.38 0.908 . . . . 0.0 111.828 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.77 132.15 34.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -11.24 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -172.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -67.12 144.44 56.08 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -173.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -68.15 125.55 26.73 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.3 171.35 21.52 Favored Glycine 0 C--N 1.317 -0.519 0 CA-C-O 123.2 1.445 . . . . 0.0 115.377 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 15.0 tp -128.44 124.37 36.06 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 175.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 45.4 t -91.03 137.52 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 164.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -151.84 157.8 42.38 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.991 0.9 . . . . 0.0 113.055 175.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 9.3 mt -118.86 131.07 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.572 -1.649 . . . . 0.0 108.327 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -134.05 137.6 44.78 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.38 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -100.18 122.06 42.42 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 170.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 14.7 p -83.97 171.08 13.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.321 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -10.37 59.66 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -170.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.71 7.43 14.95 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.283 -0.167 . . . . 0.0 111.003 170.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t 73.91 -1.35 3.09 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.387 1.475 . . . . 0.0 114.724 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.87 149.93 39.37 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 122.226 1.013 . . . . 0.0 113.082 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -102.24 129.15 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.116 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 12.3 m-70 -117.65 125.35 50.57 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -176.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -98.84 118.94 36.73 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 171.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 93.4 m -127.62 156.9 41.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -171.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -130.55 128.19 40.62 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.715 169.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -120.63 134.34 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.753 -176.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.21 115.31 13.57 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 173.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -64.01 -32.45 74.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 73.9 p -72.45 -46.17 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -175.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.46 -20.47 21.73 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.512 -176.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 2.72 60.53 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 39.5 t -84.19 109.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -94.52 -28.87 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.947 -171.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -121.94 135.6 54.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.808 0.813 . . . . 0.0 109.413 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -155.06 103.32 2.38 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 104.471 -2.418 . . . . 0.0 104.471 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.08 123.23 45.12 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.236 -174.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 23.7 pt -75.82 124.34 33.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.399 1.095 . . . . 0.0 111.661 168.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 16.1 mm -123.0 130.32 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.36 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.569 -174.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.26 159.05 30.58 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.498 1.124 . . . . 0.0 110.866 173.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.37 133.89 58.41 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.932 2.421 . . . . 0.0 111.282 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.54 6.79 5.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -175.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.36 -33.67 71.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.975 0.807 . . . . 0.0 109.543 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.401 ' SG ' HD21 ' C' ' 96' ' ' LEU . 26.6 p -154.9 168.22 27.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.481 -1.288 . . . . 0.0 113.639 -173.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -133.52 139.21 46.5 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.002 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -106.68 124.21 49.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -148.58 156.48 42.47 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -67.83 142.82 56.04 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.966 -1.015 . . . . 0.0 108.344 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 45.5 t -94.19 98.34 2.84 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 171.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -61.08 -31.95 91.21 Favored 'Trans proline' 0 C--N 1.328 -0.527 0 N-CA-C 117.745 2.171 . . . . 0.0 117.745 -167.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -91.05 8.6 34.65 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 117.868 -1.533 . . . . 0.0 112.236 -164.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 24.8 p -85.06 119.67 72.75 Favored Pre-proline 0 CA--C 1.515 -0.404 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.94 -19.92 34.22 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.425 -173.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 5.0 m -65.51 -34.61 78.68 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.406 0.548 . . . . 0.0 110.062 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.45 13.03 64.76 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.57 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -120.98 17.14 11.73 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . 0.646 HG22 ' CE3' ' C' ' 108' ' ' TRP . 16.3 t -97.14 133.53 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -125.1 151.77 45.26 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.514 1.759 . . . . 0.0 110.36 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . 0.445 HG22 ' HG3' ' C' ' 97' ' ' LYS . 8.2 p -127.01 135.36 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . 0.476 HD13 ' C ' ' C' ' 96' ' ' LEU . 3.4 tm? -95.49 108.15 20.36 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . 0.445 ' HG3' HG22 ' C' ' 95' ' ' VAL . 0.0 OUTLIER -109.28 125.2 52.04 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -171.097 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -84.79 115.64 22.83 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 124.154 0.909 . . . . 0.0 109.222 176.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -63.41 -25.18 68.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.412 -169.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.22 115.1 28.78 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' B' ' 72' ' ' ARG . . . 102.0 172.44 27.6 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -172.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 6.8 m -91.4 9.01 33.49 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 122.042 -0.681 . . . . 0.0 110.497 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -70.56 129.22 38.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.614 -165.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 141.81 46.05 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.869 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.58 126.18 45.37 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 171.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . 0.423 ' HB2' ' SD ' ' C' ' 31' ' ' MET . 30.8 m-85 -100.87 143.73 30.66 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.68 1.237 . . . . 0.0 110.339 -177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' C' ' 108' ' ' TRP . 92.6 m-85 -137.17 156.61 48.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.233 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . 0.646 ' CE3' HG22 ' C' ' 93' ' ' VAL . 1.7 m0 -131.4 126.67 35.76 Favored 'General case' 0 N--CA 1.419 -1.979 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.45 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' C' ' 109' ' ' MET . 4.8 tmm? -62.7 137.78 58.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.272 -174.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -118.86 3.93 11.54 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.274 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . 0.431 ' O ' ' SD ' ' C' ' 109' ' ' MET . 8.8 tp10 -61.33 135.89 93.91 Favored Pre-proline 0 C--O 1.264 1.838 0 CA-C-O 123.165 1.46 . . . . 0.0 108.628 173.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.32 -41.27 42.99 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.559 -1.161 . . . . 0.0 112.447 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.12 146.96 24.22 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.513 173.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 11.9 t -83.53 -9.18 59.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.137 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -53.64 -33.75 56.24 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 123.37 0.668 . . . . 0.0 112.786 -169.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.23 5.81 37.83 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -174.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.307 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -69.84 -32.28 70.6 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.505 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -44.02 80.35 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-O 120.836 0.35 . . . . 0.0 110.949 175.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -55.59 -45.91 77.34 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.029 -1.044 . . . . 0.0 112.322 173.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 27.0 t -60.58 -43.08 97.73 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.712 0.768 . . . . 0.0 110.333 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -43.43 98.86 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.079 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -64.2 -42.32 96.7 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 15.8 t -52.23 -51.94 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.406 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . 0.506 ' HA ' HD23 ' C' ' 128' ' ' LEU . 0.4 OUTLIER -60.35 -39.53 87.48 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -45.94 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.477 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -79.07 -24.49 43.48 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.482 -0.887 . . . . 0.0 112.325 -174.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.07 -36.1 41.4 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.791 -0.764 . . . . 0.0 112.19 174.562 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . 0.449 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.78 -11.13 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -168.507 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -141.13 71.76 27.69 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 169.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -46.95 167.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.616 1.544 . . . . 0.0 111.59 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 0 C--N 1.291 -2.497 0 C-N-CA 122.517 2.145 . . . . 0.0 111.607 179.786 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -91.04 138.21 31.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 126.8 2.562 . . . . 0.0 108.92 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.4 pt -131.2 163.06 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.364 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 1.238 ' CZ ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -116.02 140.19 49.51 Favored 'General case' 0 N--CA 1.513 2.709 1 O-C-N 130.527 4.892 . . . . 0.0 108.8 179.627 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.04 114.29 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-O 113.42 -3.181 . . . . 0.0 105.545 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 1.238 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -95.24 127.63 41.44 Favored 'General case' 0 N--CA 1.505 2.325 1 O-C-N 129.297 4.123 . . . . 0.0 107.926 -178.22 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 11' ' ' LYS . 9.4 t -99.63 170.7 8.4 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.407 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -6.92 49.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.221 0.95 . . . . 0.0 112.716 -178.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.522 ' H ' HG23 ' A' ' 7' ' ' THR . 0.7 OUTLIER -101.59 14.92 30.52 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.69 -2.404 . . . . 0.0 111.897 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.76 80.11 Favored Glycine 0 C--N 1.298 -1.544 0 O-C-N 120.181 -1.574 . . . . 0.0 116.107 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.702 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.47 138.15 34.49 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 174.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.568 ' HB ' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -119.98 131.72 55.26 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.606 2.441 . . . . 0.0 105.948 176.321 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.54 141.87 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 127.698 3.124 . . . . 0.0 108.936 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 t -101.42 139.68 36.75 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 117.169 -1.813 . . . . 0.0 108.169 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -126.39 153.99 44.2 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 115.432 -2.223 . . . . 0.0 108.345 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -111.79 121.05 44.02 Favored 'General case' 0 N--CA 1.499 2.006 1 O-C-N 129.26 4.1 . . . . 0.0 103.719 173.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.514 HG11 HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -138.99 170.57 15.99 Favored 'Isoleucine or valine' 0 C--O 1.255 1.353 0 O-C-N 127.537 3.023 . . . . 0.0 111.165 -177.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' ' OD2' ' A' ' 21' ' ' ASP . 2.1 pt-20 -119.9 144.49 37.52 Favored Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 112.353 -2.203 . . . . 0.0 106.381 174.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -55.09 -24.2 39.4 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.502 2.135 . . . . 0.0 111.94 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 p -80.12 -8.02 59.2 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.881 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.448 ' OD2' ' O ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -71.11 148.5 47.39 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 117.423 -1.711 . . . . 0.0 109.762 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.658 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.5 p -83.74 160.58 21.24 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 175.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.573 ' O ' HG22 ' A' ' 26' ' ' VAL . 14.1 mm -61.6 -37.01 76.91 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 O-C-N 127.065 2.728 . . . . 0.0 110.25 175.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.57 -40.18 78.37 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.221 -0.924 . . . . 0.0 110.779 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.26 -41.99 80.29 Favored 'General case' 0 C--O 1.263 1.805 0 O-C-N 121.816 -0.553 . . . . 0.0 110.978 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -58.2 -46.4 88.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 O-C-N 124.492 1.12 . . . . 0.0 109.192 178.146 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.805 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 6.7 mtpp -60.83 -37.93 83.71 Favored 'General case' 0 C--O 1.259 1.566 0 CA-C-O 118.866 -0.588 . . . . 0.0 110.682 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.13 -38.14 87.42 Favored 'General case' 0 C--O 1.277 2.534 0 CA-C-N 118.094 0.406 . . . . 0.0 111.156 176.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -64.11 -37.44 87.44 Favored 'General case' 0 C--O 1.255 1.351 0 CA-C-O 123.087 1.422 . . . . 0.0 110.786 176.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.506 HD13 HE22 ' A' ' 41' ' ' GLN . 1.8 mt -69.92 -39.6 77.77 Favored 'Isoleucine or valine' 0 C--O 1.251 1.158 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 1.166 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -62.25 -48.72 78.71 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.578 2.609 . . . . 0.0 109.09 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.14 -41.85 65.49 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.544 -1.662 . . . . 0.0 111.962 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 1.9 tptm -93.54 -24.25 18.03 Favored 'General case' 0 C--O 1.28 2.696 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -123.4 -6.51 8.18 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 123.156 2.707 . . . . 0.0 114.229 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.62 89.97 Favored Glycine 0 CA--C 1.479 -2.2 0 N-CA-C 118.849 2.3 . . . . 0.0 118.849 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.166 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 7.9 mt -79.73 124.82 83.34 Favored Pre-proline 0 C--O 1.245 0.834 0 C-N-CA 118.805 -1.158 . . . . 0.0 110.943 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -56.87 136.76 78.36 Favored 'Trans proline' 0 C--O 1.26 1.609 0 C-N-CA 123.337 2.692 . . . . 0.0 110.833 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.802 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 27.3 Cg_exo -57.16 -31.91 91.9 Favored 'Trans proline' 0 C--O 1.263 1.755 0 O-C-N 122.967 0.983 . . . . 0.0 113.616 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.48 -15.39 63.53 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 119.777 -1.827 . . . . 0.0 112.163 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -96.01 -10.22 29.09 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 120.749 -1.22 . . . . 0.0 111.985 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.506 HE22 HD13 ' A' ' 30' ' ' ILE . 6.4 mt-30 -84.84 129.58 34.79 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.326 2.012 . . . . 0.0 115.724 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -121.1 116.14 24.44 Favored 'General case' 0 C--O 1.3 3.743 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 171.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 mp -103.51 130.1 50.83 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 119.481 1.037 . . . . 0.0 109.904 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.589 HD12 ' OD1' ' C' ' 79' ' ' ASP . 0.1 OUTLIER -122.03 131.89 72.14 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 O-C-N 125.192 1.558 . . . . 0.0 111.89 -177.581 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -144.36 129.59 18.72 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.434 -2.062 . . . . 0.0 105.434 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 46.06 19.79 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 112.278 -2.237 . . . . 0.0 110.719 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.411 ' HA3' ' CD2' ' C' ' 98' ' ' PHE . . . 61.69 21.72 61.0 Favored Glycine 0 N--CA 1.432 -1.567 0 C-N-CA 128.715 3.055 . . . . 0.0 117.357 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -115.01 142.78 46.17 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -85.82 130.26 34.6 Favored 'General case' 0 C--O 1.257 1.482 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 174.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.48 138.11 37.45 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 117.66 -1.162 . . . . 0.0 110.202 -175.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -101.73 140.07 36.51 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.092 1.495 . . . . 0.0 109.954 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -47.91 -42.51 27.32 Favored 'General case' 0 C--O 1.264 1.837 0 N-CA-C 120.831 3.641 . . . . 0.0 120.831 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.59 -8.98 85.36 Favored Glycine 0 CA--C 1.489 -1.545 0 N-CA-C 116.222 1.249 . . . . 0.0 116.222 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -85.39 165.39 17.26 Favored 'General case' 0 C--O 1.25 1.132 0 O-C-N 119.863 -1.963 . . . . 0.0 107.971 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 11.3 p -104.51 164.87 11.45 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 177.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.514 HD12 HG11 ' A' ' 17' ' ' VAL . 1.2 mt -61.61 -35.94 79.3 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 p -64.32 -29.37 70.45 Favored 'General case' 0 C--O 1.266 1.969 0 C-N-CA 117.252 -1.779 . . . . 0.0 112.153 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.55 -39.51 70.7 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.467 1.127 . . . . 0.0 110.706 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -90.82 4.6 51.28 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.973 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 58.12 45.17 18.04 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 121.596 1.998 . . . . 0.0 111.189 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.505 HD13 HD22 ' A' ' 56' ' ' LEU . 4.0 mt -88.68 116.49 30.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.988 0 CA-C-O 115.175 -2.345 . . . . 0.0 106.263 175.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.44 169.62 8.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 126.025 2.078 . . . . 0.0 109.43 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.81 28.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 123.182 1.468 . . . . 0.0 109.178 -176.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 67.11 19.17 10.47 Favored 'General case' 0 C--O 1.254 1.34 0 N-CA-C 118.001 2.593 . . . . 0.0 118.001 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p -71.08 159.59 34.44 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.68 ' HB ' ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -119.16 126.75 52.33 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 118.192 -0.909 . . . . 0.0 108.806 175.79 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -103.2 154.61 19.15 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 114.876 -2.488 . . . . 0.0 105.629 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' ILE . 13.2 t-160 -105.65 135.63 46.71 Favored 'General case' 0 C--N 1.287 -2.125 0 O-C-N 127.296 2.872 . . . . 0.0 105.861 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.454 HD13 ' OE1' ' A' ' 41' ' ' GLN . 6.6 tp -106.85 115.78 30.78 Favored 'General case' 0 C--O 1.284 2.92 0 CA-C-O 117.607 -1.187 . . . . 0.0 111.442 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.464 HG21 ' CE1' ' C' ' 76' ' ' PHE . 4.5 t -108.1 139.83 28.83 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 175.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.95 138.84 33.01 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.203 0.525 . . . . 0.0 109.887 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 . . . . . 0 C--N 1.278 -2.506 0 CA-C-O 113.114 -3.327 . . . . 0.0 105.532 178.595 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 mtt . . . . . 0 CA--C 1.549 0.919 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -90.9 138.43 31.6 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 127.144 2.778 . . . . 0.0 108.86 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.16 163.05 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.299 0 CA-C-O 115.732 -2.08 . . . . 0.0 105.938 173.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.474 ' CZ ' HG23 ' B' ' 14' ' ' THR . 0.9 OUTLIER -115.93 140.09 49.59 Favored 'General case' 0 N--CA 1.513 2.699 1 O-C-N 130.614 4.946 . . . . 0.0 108.652 179.797 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.91 114.11 44.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 113.496 -3.145 . . . . 0.0 105.836 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.07 127.55 41.21 Favored 'General case' 0 N--CA 1.502 2.147 1 O-C-N 129.112 4.007 . . . . 0.0 108.236 -178.188 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 52.1 p -99.57 170.87 8.29 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.787 -1.102 . . . . 0.0 109.266 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.599 ' H ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.37 -7.0 49.8 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 124.144 0.902 . . . . 0.0 112.875 -178.266 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.0 t -101.23 14.84 30.71 Favored 'General case' 0 N--CA 1.506 2.328 0 C-N-CA 115.705 -2.398 . . . . 0.0 111.947 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.7 80.09 Favored Glycine 0 C--N 1.295 -1.715 0 O-C-N 120.192 -1.568 . . . . 0.0 116.066 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.25 137.87 34.69 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 174.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.89 132.01 55.42 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 126.358 2.286 . . . . 0.0 106.223 176.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 tp -109.58 141.84 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.693 3.121 . . . . 0.0 109.022 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.474 HG23 ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -101.29 139.85 36.39 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 116.985 -1.886 . . . . 0.0 108.344 177.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.46 154.11 44.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 115.564 -2.16 . . . . 0.0 108.374 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -111.81 121.26 44.59 Favored 'General case' 0 N--CA 1.495 1.819 1 O-C-N 129.145 4.028 . . . . 0.0 103.511 173.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.21 170.61 15.7 Favored 'Isoleucine or valine' 0 C--O 1.253 1.266 0 O-C-N 127.796 3.185 . . . . 0.0 111.199 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.93 144.6 37.79 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.09 -2.323 . . . . 0.0 106.353 174.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -54.94 -24.73 40.63 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 122.713 2.275 . . . . 0.0 111.531 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -79.85 -8.22 59.16 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.923 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.01 148.49 47.56 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.746 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -83.81 160.56 21.17 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 19.4 mm -61.49 -36.78 75.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 127.042 2.714 . . . . 0.0 110.353 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.786 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.12 -42.93 77.66 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 120.398 -1.439 . . . . 0.0 111.014 176.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -64.47 -44.55 90.7 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 124.245 1.018 . . . . 0.0 111.351 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.6 -46.33 90.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.933 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -60.7 -37.95 83.4 Favored 'General case' 0 C--O 1.254 1.342 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.858 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.07 86.89 Favored 'General case' 0 C--O 1.279 2.626 0 O-C-N 123.384 0.427 . . . . 0.0 111.334 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -63.96 -37.37 87.15 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 120.41 -1.431 . . . . 0.0 110.917 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.0 mt -69.76 -39.73 78.29 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -48.86 78.52 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.514 2.578 . . . . 0.0 109.009 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -41.79 66.13 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.89 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.322 6.1 tptm -93.43 -24.26 18.11 Favored 'General case' 0 C--O 1.281 2.744 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 -175.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.66 -6.3 8.05 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 122.935 2.607 . . . . 0.0 113.858 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.92 5.66 89.96 Favored Glycine 0 CA--C 1.477 -2.305 0 N-CA-C 118.836 2.294 . . . . 0.0 118.836 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.482 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.8 mt -80.0 125.07 82.61 Favored Pre-proline 0 C--O 1.241 0.647 0 C-N-CA 118.682 -1.207 . . . . 0.0 110.989 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 91.6 Cg_exo -57.14 137.03 80.0 Favored 'Trans proline' 0 C--O 1.257 1.431 0 C-N-CA 122.971 2.447 . . . . 0.0 110.865 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -57.25 -32.15 92.81 Favored 'Trans proline' 0 C--O 1.261 1.647 0 O-C-N 122.98 0.989 . . . . 0.0 113.351 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -68.26 -15.71 63.68 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 119.948 -1.72 . . . . 0.0 112.242 -177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.791 ' HB3' HD11 ' B' ' 71' ' ' LEU . 74.4 mm-40 -95.47 -10.6 29.37 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 120.524 -1.36 . . . . 0.0 112.252 178.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -84.84 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.264 1.983 . . . . 0.0 115.753 -177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 0.0 OUTLIER -121.17 116.09 24.28 Favored 'General case' 0 C--O 1.298 3.606 0 N-CA-C 104.812 -2.292 . . . . 0.0 104.812 172.181 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.499 ' C ' HD13 ' B' ' 44' ' ' ILE . 4.0 mm? -103.62 130.22 51.03 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 119.46 1.027 . . . . 0.0 109.914 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.499 HD13 ' C ' ' B' ' 43' ' ' LEU . 0.5 OUTLIER -121.91 131.62 72.71 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 O-C-N 125.117 1.51 . . . . 0.0 112.048 -177.619 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.21 129.85 19.13 Favored 'General case' 0 C--N 1.359 0.98 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 45.89 19.73 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 111.988 -2.369 . . . . 0.0 110.705 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.19 59.63 Favored Glycine 0 C--N 1.298 -1.544 0 C-N-CA 128.284 2.849 . . . . 0.0 117.397 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -109.83 143.81 39.17 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 115.335 -2.269 . . . . 0.0 110.996 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -87.17 130.35 34.58 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.5 mt -79.67 138.41 37.36 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 117.626 -1.178 . . . . 0.0 110.091 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -101.88 139.9 36.89 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 125.28 1.613 . . . . 0.0 110.009 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.786 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 1.1 p30 -48.17 -42.11 28.79 Favored 'General case' 0 C--O 1.263 1.795 0 N-CA-C 120.78 3.622 . . . . 0.0 120.78 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.15 -8.61 85.25 Favored Glycine 0 CA--C 1.494 -1.268 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.53 165.24 17.26 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.189 -1.771 . . . . 0.0 108.006 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 21.1 p -104.41 164.4 11.77 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.445 HD22 HD13 ' B' ' 61' ' ' ILE . 33.3 mt -61.0 -36.31 79.13 Favored 'General case' 0 C--O 1.201 -1.457 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.7 m -63.75 -29.61 70.8 Favored 'General case' 0 C--O 1.267 2.016 0 C-N-CA 117.291 -1.764 . . . . 0.0 112.245 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -55.76 -39.0 70.6 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.567 1.175 . . . . 0.0 110.731 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -91.16 4.5 52.07 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 117.625 -1.179 . . . . 0.0 112.866 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.95 45.39 18.25 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 121.607 2.003 . . . . 0.0 111.301 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.445 HD13 HD22 ' B' ' 56' ' ' LEU . 20.8 mt -88.75 116.31 30.18 Favored 'Isoleucine or valine' 0 C--O 1.27 2.176 0 CA-C-O 115.029 -2.415 . . . . 0.0 106.234 175.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -103.39 169.52 8.49 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 126.163 2.164 . . . . 0.0 109.743 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.82 142.92 27.34 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 123.115 1.436 . . . . 0.0 109.305 -176.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 66.96 19.23 10.62 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 117.744 2.498 . . . . 0.0 117.744 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.12 159.6 34.4 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 174.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.07 126.62 52.1 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 118.228 -0.891 . . . . 0.0 108.784 175.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.22 154.59 19.18 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 114.727 -2.558 . . . . 0.0 105.696 175.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -105.57 135.8 46.31 Favored 'General case' 0 C--N 1.284 -2.272 0 O-C-N 127.574 3.046 . . . . 0.0 105.701 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 tt -107.19 115.87 30.93 Favored 'General case' 0 C--O 1.282 2.784 0 CA-C-O 117.731 -1.128 . . . . 0.0 111.399 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' B' ' 42' ' ' ARG . 33.8 m -108.21 139.97 28.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 103.4 -2.815 . . . . 0.0 103.4 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.11 -83.39 0.37 Allowed 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.051 0.453 . . . . 0.0 109.857 178.394 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? . . . . . 0 C--N 1.277 -2.554 0 CA-C-O 113.489 -3.148 . . . . 0.0 105.453 179.75 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.646 0.736 . . . . 0.0 110.675 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -89.06 137.95 31.85 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.536 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.623 ' HB2' HG23 ' C' ' 49' ' ' ILE . 0.4 OUTLIER -70.28 -39.6 74.82 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.699 0.761 . . . . 0.0 111.844 172.476 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.675 ' HB ' HG22 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.31 136.1 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 107.426 -178.222 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.38 148.04 34.18 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.572 165.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -161.01 155.18 22.85 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.241 0.963 . . . . 0.0 111.21 173.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -72.26 127.87 33.9 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.181 -1.372 . . . . 0.0 112.307 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.098 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.99 164.89 25.17 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 108.247 -1.941 . . . . 0.0 108.247 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 -179.2 3.77 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . 0.733 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.3 mpt? -137.07 161.09 37.04 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 174.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 87.8 p -136.67 156.54 48.4 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.067 -1.453 . . . . 0.0 108.734 177.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mp -92.73 116.17 28.77 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 115.81 29.33 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 172.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 10.4 t -113.92 14.52 18.52 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.37 -0.415 . . . . 0.0 109.958 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -112.06 122.48 47.87 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 85.0 t -76.09 120.06 25.35 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 50.4 m -124.14 119.28 26.49 Favored Pre-proline 0 C--O 1.245 0.856 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.222 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . 0.733 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 32.3 Cg_exo -59.91 134.79 59.01 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.956 -0.896 . . . . 0.0 111.846 173.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -85.68 132.16 34.2 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.95 -11.17 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -67.08 144.37 56.15 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -68.04 125.55 26.68 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 171.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.34 171.25 21.57 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.316 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -128.43 124.37 36.06 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 15.9 t -90.91 137.63 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 164.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -151.95 157.76 42.22 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.973 0.892 . . . . 0.0 113.015 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.777 HG13 ' CE1' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -118.81 131.07 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.591 -1.641 . . . . 0.0 108.321 174.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -134.02 137.68 44.89 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -100.25 122.06 42.45 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 170.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 68.4 p -83.99 171.16 13.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.33 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.54 -10.51 59.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -170.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -82.7 7.48 14.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.014 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.87 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.458 1.503 . . . . 0.0 114.684 -177.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.89 149.86 39.36 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 122.165 0.983 . . . . 0.0 113.034 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -102.15 129.08 54.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.138 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.61 125.3 50.52 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -176.579 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.74 119.0 36.74 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 91.4 m -127.63 156.88 41.61 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -130.5 128.26 40.83 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.738 169.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -120.65 134.25 55.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.773 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.22 115.36 13.63 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -64.0 -32.44 73.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -176.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . 0.468 HG23 ' N ' ' C' ' 66' ' ' SER . 5.5 t -72.51 -46.14 56.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -175.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . 0.468 ' N ' HG23 ' C' ' 65' ' ' THR . 0.0 OUTLIER -91.44 -20.53 21.68 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.516 -176.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.53 2.76 60.79 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -72.52 130.0 39.61 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.679 1.24 . . . . 0.0 113.159 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.2 109.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.49 -28.89 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.942 -171.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.02 135.6 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.838 0.828 . . . . 0.0 109.386 177.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -155.04 103.31 2.38 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.06 123.21 45.1 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.253 -174.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 pt -75.83 124.36 33.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.384 1.087 . . . . 0.0 111.721 168.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.882 HG21 HD13 ' C' ' 128' ' ' LEU . 46.9 mm -123.02 130.29 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.381 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.597 -174.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . 0.475 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 1.2 p90 -101.24 158.98 30.76 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.403 1.064 . . . . 0.0 110.885 173.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -54.37 133.88 58.37 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.915 2.41 . . . . 0.0 111.264 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.59 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . 0.589 ' OD1' HD12 ' A' ' 44' ' ' ILE . 6.3 t0 -70.45 -33.61 71.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.038 0.835 . . . . 0.0 109.563 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 29.1 p -154.87 168.12 27.97 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.536 -1.266 . . . . 0.0 113.635 -173.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -133.45 139.31 46.63 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.468 -1.696 . . . . 0.0 106.992 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.6 ' CE1' HD13 ' C' ' 96' ' ' LEU . 2.7 m-85 -106.76 124.19 49.25 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -148.54 156.43 42.43 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -177.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -67.75 142.79 56.15 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.486 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.18 98.33 2.82 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 171.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -61.02 -31.96 91.75 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 N-CA-C 117.814 2.198 . . . . 0.0 117.814 -167.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.09 8.59 34.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.207 -164.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.05 119.64 72.72 Favored Pre-proline 0 CA--C 1.516 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.96 -19.86 34.06 Favored 'Trans proline' 0 C--N 1.346 0.421 0 O-C-N 123.054 1.028 . . . . 0.0 114.422 -173.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 83.2 p -65.5 -34.63 78.71 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.437 0.562 . . . . 0.0 110.083 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.03 64.87 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.529 -172.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -121.09 17.18 11.64 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 45.2 t -97.06 133.42 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 173.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . 0.749 ' CD1' ' HB2' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -125.05 151.74 45.22 Favored 'General case' 0 CA--C 1.499 -0.988 0 O-C-N 125.509 1.756 . . . . 0.0 110.448 178.588 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . 0.568 ' N ' ' CD2' ' C' ' 94' ' ' TYR . 1.3 m -126.94 135.33 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . 0.6 HD13 ' CE1' ' C' ' 82' ' ' PHE . 0.2 OUTLIER -95.43 108.1 20.29 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 169.151 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -109.17 125.15 51.9 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -171.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.411 ' CD2' ' HA3' ' A' ' 47' ' ' GLY . 77.8 m-85 -84.77 115.72 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.052 0.845 . . . . 0.0 109.195 176.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -63.5 -25.09 68.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.429 -169.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . 0.556 ' HB3' HD11 ' A' ' 44' ' ' ILE . . . -111.31 115.21 28.93 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 173.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . 0.552 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.91 172.39 27.71 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -172.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.38 9.08 33.12 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.099 -0.648 . . . . 0.0 110.588 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -70.63 129.17 38.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 117.882 -1.527 . . . . 0.0 110.573 -165.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 141.75 46.28 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.943 175.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.53 126.2 45.45 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 171.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' C' ' 106' ' ' PHE . 1.4 m-85 -100.94 143.68 30.79 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 124.698 1.249 . . . . 0.0 110.281 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . 0.749 ' HB2' ' CD1' ' C' ' 94' ' ' TYR . 54.3 m-85 -137.1 156.68 48.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.234 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -131.43 126.54 35.35 Favored 'General case' 0 N--CA 1.42 -1.968 0 C-N-CA 119.581 -0.848 . . . . 0.0 110.388 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.66 137.74 58.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.278 -174.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.87 3.99 11.52 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.213 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 135.84 93.86 Favored Pre-proline 0 C--O 1.265 1.913 0 CA-C-O 123.028 1.394 . . . . 0.0 108.705 172.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.21 -41.32 43.51 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.609 -1.127 . . . . 0.0 112.444 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -96.17 146.9 24.29 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.482 173.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 27.9 p -83.48 -9.19 59.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.166 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -33.81 56.29 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.403 0.681 . . . . 0.0 112.77 -169.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.19 5.8 37.93 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -174.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -48.82 77.35 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.97 -1.092 . . . . 0.0 110.252 -177.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.3 70.73 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.576 -173.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -44.02 80.24 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.856 0.36 . . . . 0.0 110.91 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -55.61 -45.84 77.44 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.026 -1.046 . . . . 0.0 112.301 173.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . 0.85 ' O ' HG22 ' C' ' 124' ' ' VAL . 1.3 m -60.7 -43.06 98.26 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.681 0.753 . . . . 0.0 110.287 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -43.52 98.67 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.074 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -64.19 -42.34 96.7 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . 1.088 ' HA ' ' CE2' ' C' ' 127' ' ' TYR . 16.8 m -52.33 -51.94 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.336 175.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . 0.498 ' N ' HG23 ' C' ' 124' ' ' VAL . 1.4 m-20 -60.28 -39.52 87.15 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -45.96 82.35 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.51 -178.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . 1.088 ' CE2' ' HA ' ' C' ' 124' ' ' VAL . 0.6 OUTLIER -79.07 -24.49 43.49 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.38 -174.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.882 HD13 HG21 ' C' ' 75' ' ' ILE . 5.9 mt -78.97 -36.08 42.03 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.771 -0.771 . . . . 0.0 112.322 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -110.79 -11.13 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -168.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -141.15 71.83 27.5 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -46.17 108.8 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.592 1.528 . . . . 0.0 111.634 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo . . . . . 0 C--N 1.29 -2.538 0 C-N-CA 122.422 2.081 . . . . 0.0 111.573 179.804 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptt? . . . . . 0 CA--C 1.549 0.927 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -91.12 138.19 31.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 126.856 2.597 . . . . 0.0 108.884 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 pp -131.22 162.97 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.372 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.0 140.22 49.47 Favored 'General case' 0 N--CA 1.512 2.663 1 O-C-N 130.496 4.873 . . . . 0.0 108.787 179.582 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.7 t -118.06 114.2 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 113.4 -3.191 . . . . 0.0 105.602 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -95.13 127.58 41.29 Favored 'General case' 0 N--CA 1.506 2.363 1 O-C-N 129.354 4.159 . . . . 0.0 107.95 -178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -99.61 170.81 8.33 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.294 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -6.85 48.97 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.046 0.841 . . . . 0.0 112.697 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -101.55 14.97 30.36 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 115.754 -2.379 . . . . 0.0 111.936 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.79 80.21 Favored Glycine 0 C--N 1.297 -1.588 0 O-C-N 120.205 -1.56 . . . . 0.0 116.154 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 138.13 34.57 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 p -119.95 131.67 55.27 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 126.675 2.484 . . . . 0.0 105.928 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.53 141.98 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 127.738 3.149 . . . . 0.0 108.956 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -101.37 139.78 36.56 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.17 -1.812 . . . . 0.0 108.083 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -126.47 154.06 44.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 115.458 -2.211 . . . . 0.0 108.311 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -111.86 121.0 43.85 Favored 'General case' 0 N--CA 1.499 1.99 1 O-C-N 129.204 4.065 . . . . 0.0 103.639 173.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.92 170.6 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.335 0 O-C-N 127.477 2.986 . . . . 0.0 111.175 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -119.96 144.52 37.68 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 112.395 -2.184 . . . . 0.0 106.256 174.643 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -55.03 -24.26 39.17 Favored 'Trans proline' 0 C--N 1.321 -0.894 0 C-N-CA 122.481 2.121 . . . . 0.0 111.993 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 p -80.08 -8.1 59.22 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.857 -177.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 21' ' ' ASP . 30.2 p-10 -71.15 148.38 47.44 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 117.505 -1.678 . . . . 0.0 109.81 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.67 160.5 21.32 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 29.9 mm -61.44 -37.14 77.06 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 O-C-N 127.137 2.773 . . . . 0.0 110.212 175.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -57.5 -40.27 78.29 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.303 -0.873 . . . . 0.0 110.793 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.13 -42.01 80.8 Favored 'General case' 0 C--O 1.262 1.716 0 O-C-N 121.872 -0.517 . . . . 0.0 110.998 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.412 HG21 HD11 ' A' ' 56' ' ' LEU . 2.7 t -58.22 -46.36 88.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 O-C-N 124.461 1.1 . . . . 0.0 109.173 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -60.93 -37.92 83.98 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-O 118.803 -0.617 . . . . 0.0 110.683 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.17 87.56 Favored 'General case' 0 C--O 1.277 2.523 0 CA-C-N 118.107 0.412 . . . . 0.0 111.117 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -37.49 87.64 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-O 123.082 1.42 . . . . 0.0 110.678 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.444 HG21 ' NE2' ' A' ' 41' ' ' GLN . 1.8 mm -69.95 -39.58 77.66 Favored 'Isoleucine or valine' 0 C--O 1.251 1.155 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -48.72 78.82 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 125.556 2.598 . . . . 0.0 109.136 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -41.71 65.73 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.39 -1.732 . . . . 0.0 111.991 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -93.67 -24.14 17.98 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 -175.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -123.46 -6.48 8.15 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 123.129 2.695 . . . . 0.0 114.23 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.6 90.0 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.948 2.339 . . . . 0.0 118.948 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 66.2 mt -79.73 124.83 83.33 Favored Pre-proline 0 C--O 1.244 0.803 0 C-N-CA 118.761 -1.176 . . . . 0.0 110.945 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 82.5 Cg_exo -57.02 136.85 79.15 Favored 'Trans proline' 0 C--O 1.259 1.537 0 C-N-CA 123.361 2.707 . . . . 0.0 110.715 178.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.7 Cg_exo -57.18 -31.94 92.01 Favored 'Trans proline' 0 C--O 1.263 1.761 0 O-C-N 122.925 0.96 . . . . 0.0 113.647 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.47 -15.33 63.51 Favored 'General case' 0 C--O 1.262 1.748 0 O-C-N 119.872 -1.767 . . . . 0.0 112.306 -177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.95 -10.27 29.09 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 120.64 -1.287 . . . . 0.0 112.079 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.444 ' NE2' HG21 ' A' ' 30' ' ' ILE . 28.9 mt-30 -84.92 129.59 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.453 2.073 . . . . 0.0 115.792 -177.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 116.09 24.41 Favored 'General case' 0 C--O 1.299 3.703 0 N-CA-C 105.037 -2.209 . . . . 0.0 105.037 171.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.452 ' O ' HD12 ' A' ' 50' ' ' LEU . 84.7 mt -103.5 130.19 50.83 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 119.566 1.075 . . . . 0.0 109.998 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.416 HG21 ' OD2' ' C' ' 79' ' ' ASP . 1.6 mp -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 O-C-N 125.088 1.493 . . . . 0.0 111.852 -177.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 1.011 ' O ' ' OH ' ' A' ' 59' ' ' TYR . 28.1 t80 -144.32 129.5 18.68 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.22 46.1 19.92 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 112.277 -2.238 . . . . 0.0 110.76 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.53 21.8 60.74 Favored Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 128.668 3.033 . . . . 0.0 117.549 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 17.7 mmtp -115.1 142.85 46.09 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.86 130.31 34.59 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 174.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 43' ' ' LEU . 4.8 mp -79.44 138.08 37.47 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 117.622 -1.18 . . . . 0.0 110.196 -176.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.73 140.17 36.37 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 125.099 1.499 . . . . 0.0 109.983 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.2 m-20 -48.07 -42.44 28.64 Favored 'General case' 0 C--O 1.263 1.801 0 N-CA-C 120.752 3.612 . . . . 0.0 120.752 -175.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.72 -8.88 85.38 Favored Glycine 0 CA--C 1.49 -1.488 0 N-CA-C 116.139 1.216 . . . . 0.0 116.139 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -85.42 165.37 17.25 Favored 'General case' 0 C--O 1.251 1.151 0 O-C-N 119.822 -1.987 . . . . 0.0 107.986 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 17.5 p -104.54 164.85 11.46 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 176.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.412 HD11 HG21 ' A' ' 26' ' ' VAL . 4.6 mp -61.58 -35.97 79.33 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 177.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -29.56 70.66 Favored 'General case' 0 C--O 1.267 2.004 0 C-N-CA 117.264 -1.774 . . . . 0.0 112.198 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -55.41 -39.54 70.33 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 122.451 1.12 . . . . 0.0 110.741 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 1.011 ' OH ' ' O ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.88 4.81 50.84 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 117.79 -1.1 . . . . 0.0 113.088 179.107 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.95 45.29 18.4 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 121.537 1.972 . . . . 0.0 111.266 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 mt -88.78 116.57 30.64 Favored 'Isoleucine or valine' 0 C--O 1.266 1.962 0 CA-C-O 115.238 -2.315 . . . . 0.0 106.15 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.48 169.67 8.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 126.018 2.074 . . . . 0.0 109.441 -176.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -54.95 142.94 27.91 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.169 1.461 . . . . 0.0 109.119 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 67.02 19.21 10.57 Favored 'General case' 0 C--O 1.254 1.305 0 N-CA-C 118.002 2.593 . . . . 0.0 118.002 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -71.22 159.58 34.38 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.14 126.74 52.31 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 118.121 -0.942 . . . . 0.0 108.805 175.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -103.14 154.54 19.19 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 114.718 -2.563 . . . . 0.0 105.63 175.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -105.69 135.62 46.77 Favored 'General case' 0 C--N 1.286 -2.156 0 O-C-N 127.436 2.96 . . . . 0.0 105.817 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.0 tp -106.88 115.87 30.93 Favored 'General case' 0 C--O 1.284 2.912 0 CA-C-O 117.656 -1.164 . . . . 0.0 111.423 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 t -108.16 139.91 28.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -96.08 138.88 33.06 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.207 0.527 . . . . 0.0 109.868 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 . . . . . 0 C--N 1.278 -2.531 0 CA-C-O 113.212 -3.28 . . . . 0.0 105.552 178.506 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.4 mtp . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.96 138.42 31.61 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 127.085 2.741 . . . . 0.0 108.807 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.609 HD13 HD23 ' B' ' 67' ' ' LEU . 2.7 pp -131.05 163.09 37.92 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 CA-C-O 115.739 -2.077 . . . . 0.0 105.896 173.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -116.02 140.11 49.59 Favored 'General case' 0 N--CA 1.514 2.745 1 O-C-N 130.638 4.961 . . . . 0.0 108.604 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.86 114.06 44.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.796 175.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -95.06 127.48 41.16 Favored 'General case' 0 N--CA 1.502 2.147 1 O-C-N 129.227 4.079 . . . . 0.0 108.165 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.1 p -99.52 170.87 8.3 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.233 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.841 HD22 ' H ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.43 -7.0 49.92 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 124.078 0.861 . . . . 0.0 112.891 -178.3 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -101.22 14.88 30.57 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 115.627 -2.429 . . . . 0.0 112.041 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.72 80.09 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 120.144 -1.598 . . . . 0.0 116.037 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -96.23 137.86 34.69 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.91 131.93 55.38 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 126.367 2.292 . . . . 0.0 106.216 176.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.47 141.79 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 127.77 3.169 . . . . 0.0 109.131 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.09 139.88 36.16 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 117.05 -1.86 . . . . 0.0 108.386 177.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.65 154.04 44.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 115.553 -2.165 . . . . 0.0 108.354 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.79 121.09 44.15 Favored 'General case' 0 N--CA 1.495 1.808 1 O-C-N 129.234 4.084 . . . . 0.0 103.547 174.153 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.01 170.6 15.94 Favored 'Isoleucine or valine' 0 C--O 1.255 1.352 0 O-C-N 127.721 3.138 . . . . 0.0 111.246 -177.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 144.6 37.99 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 112.12 -2.309 . . . . 0.0 106.391 174.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.86 -24.76 40.18 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 C-N-CA 122.778 2.318 . . . . 0.0 111.559 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -8.3 59.2 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 121.107 -0.995 . . . . 0.0 110.923 -177.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.87 148.46 47.76 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 117.432 -1.707 . . . . 0.0 109.772 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -83.94 160.52 21.06 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 1.273 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.42 -36.71 74.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 126.964 2.665 . . . . 0.0 110.419 175.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.791 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.13 -42.99 77.77 Favored 'General case' 0 C--O 1.251 1.165 0 O-C-N 120.352 -1.467 . . . . 0.0 110.98 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -64.31 -44.59 91.11 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.183 0.993 . . . . 0.0 111.487 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.57 -46.33 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.194 -1.366 . . . . 0.0 108.935 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.564 ' HE2' HD11 ' B' ' 23' ' ' ILE . 2.5 mtmt -60.73 -37.99 83.63 Favored 'General case' 0 C--O 1.256 1.437 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.821 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.95 86.57 Favored 'General case' 0 C--O 1.278 2.563 0 O-C-N 123.356 0.41 . . . . 0.0 111.341 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -64.14 -37.31 86.99 Favored 'General case' 0 C--O 1.252 1.22 0 CA-C-O 123.03 1.395 . . . . 0.0 110.861 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.47 HD13 ' OE1' ' B' ' 41' ' ' GLN . 3.5 mt -69.83 -39.76 78.16 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.97 -48.79 78.78 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.641 2.638 . . . . 0.0 109.047 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.39 -41.74 66.22 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-N 113.716 -1.584 . . . . 0.0 111.886 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 7.3 mttp -93.42 -24.35 18.08 Favored 'General case' 0 C--O 1.28 2.664 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -123.65 -6.45 8.04 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 122.918 2.599 . . . . 0.0 113.835 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.06 5.55 90.05 Favored Glycine 0 CA--C 1.476 -2.403 0 N-CA-C 118.813 2.285 . . . . 0.0 118.813 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 46.8 mt -79.85 125.03 82.98 Favored Pre-proline 0 C--O 1.241 0.637 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.111 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 83.5 Cg_exo -57.15 137.04 80.05 Favored 'Trans proline' 0 C--O 1.256 1.415 0 C-N-CA 122.893 2.395 . . . . 0.0 110.905 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.4 Cg_exo -57.29 -32.1 92.76 Favored 'Trans proline' 0 C--O 1.262 1.706 0 O-C-N 123.028 1.015 . . . . 0.0 113.313 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.34 -15.53 63.59 Favored 'General case' 0 C--O 1.263 1.776 0 O-C-N 120.022 -1.674 . . . . 0.0 112.246 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.814 ' HB3' HD11 ' B' ' 71' ' ' LEU . 29.2 mm-40 -95.61 -10.57 29.12 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.487 -1.383 . . . . 0.0 112.181 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.47 ' OE1' HD13 ' B' ' 30' ' ' ILE . 0.5 OUTLIER -84.87 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 124.176 1.941 . . . . 0.0 115.75 -177.522 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -121.21 116.09 24.25 Favored 'General case' 0 C--O 1.297 3.603 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 172.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.61 ' C ' HD13 ' B' ' 44' ' ' ILE . 12.8 tp -103.51 130.24 50.85 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 119.451 1.023 . . . . 0.0 110.001 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.636 HD12 ' HG2' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -121.97 131.53 72.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 O-C-N 125.136 1.523 . . . . 0.0 112.069 -177.571 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.21 129.86 19.14 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 45.97 19.37 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 112.011 -2.359 . . . . 0.0 110.686 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.22 59.68 Favored Glycine 0 C--N 1.298 -1.556 0 C-N-CA 128.341 2.876 . . . . 0.0 117.287 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.84 143.87 39.1 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 115.377 -2.249 . . . . 0.0 110.953 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -87.09 130.28 34.57 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 104.12 -2.548 . . . . 0.0 104.12 173.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -79.57 138.44 37.47 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.08 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 1.273 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -101.86 140.06 36.65 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 125.206 1.567 . . . . 0.0 110.025 -177.738 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.833 ' O ' HG23 ' B' ' 23' ' ' ILE . 0.4 OUTLIER -48.35 -41.94 30.05 Favored 'General case' 0 C--O 1.263 1.78 0 N-CA-C 120.745 3.609 . . . . 0.0 120.745 -175.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.34 -8.48 85.11 Favored Glycine 0 CA--C 1.492 -1.373 0 N-CA-C 115.966 1.146 . . . . 0.0 115.966 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.8 ' O ' HG22 ' B' ' 23' ' ' ILE . 4.2 mmt85 -85.74 165.3 17.03 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 120.099 -1.824 . . . . 0.0 107.957 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 12.4 p -104.27 164.59 11.62 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 mt -61.2 -36.36 79.66 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.0 p -63.62 -29.82 71.01 Favored 'General case' 0 C--O 1.267 1.979 0 C-N-CA 117.334 -1.746 . . . . 0.0 112.187 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.7 -38.95 70.38 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 122.554 1.169 . . . . 0.0 110.785 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -91.16 4.52 52.01 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.857 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.96 45.26 18.42 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 121.679 2.036 . . . . 0.0 111.308 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -88.64 116.25 30.01 Favored 'Isoleucine or valine' 0 C--O 1.27 2.166 0 CA-C-O 115.115 -2.374 . . . . 0.0 106.277 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.37 169.56 8.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 126.066 2.104 . . . . 0.0 109.696 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -54.85 142.94 27.4 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 123.042 1.401 . . . . 0.0 109.387 -176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.94 19.15 10.63 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.8 t -71.17 159.63 34.31 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 174.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -119.02 126.6 52.1 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 118.214 -0.898 . . . . 0.0 108.868 175.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.609 HD23 HD13 ' B' ' 3' ' ' ILE . 1.8 mm? -103.15 154.58 19.15 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 114.65 -2.595 . . . . 0.0 105.71 175.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -105.63 135.79 46.4 Favored 'General case' 0 C--N 1.283 -2.293 0 O-C-N 127.62 3.075 . . . . 0.0 105.744 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.463 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.0 tt -107.14 115.76 30.74 Favored 'General case' 0 C--O 1.284 2.875 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.514 176.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.681 ' HA ' HD21 ' B' ' 8' ' ' LEU . 53.2 t -108.09 139.9 28.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 103.43 -2.804 . . . . 0.0 103.43 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.12 -83.38 0.37 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.065 0.459 . . . . 0.0 109.824 178.409 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.631 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 13.7 tpt180 . . . . . 0 C--N 1.277 -2.554 0 CA-C-O 113.504 -3.141 . . . . 0.0 105.39 178.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tptp . . . . . 0 CA--C 1.509 -0.62 0 CA-C-O 121.584 0.707 . . . . 0.0 110.673 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.0 137.88 31.91 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.589 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.62 ' HB2' HG23 ' C' ' 49' ' ' ILE . 0.3 OUTLIER -70.25 -39.54 74.97 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.885 172.439 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.494 ' HB ' HG22 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.43 136.06 21.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 125.178 1.391 . . . . 0.0 107.496 -178.205 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.37 148.01 34.16 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.572 165.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.99 155.17 22.89 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.264 0.978 . . . . 0.0 111.181 173.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 127.76 33.55 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.375 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.565 ' HB3' HG12 ' C' ' 47' ' ' VAL . . . -166.16 147.66 6.75 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.102 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.9 164.79 25.23 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 108.267 -1.933 . . . . 0.0 108.267 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -179.2 3.79 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.3 mtt -137.18 161.01 37.34 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . 0.592 ' O ' HG22 ' C' ' 39' ' ' THR . 7.5 m -136.6 156.5 48.48 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.827 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 116.12 28.73 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 105.939 -1.874 . . . . 0.0 105.939 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.37 115.85 29.39 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.05 8.62 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -113.9 14.48 18.54 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.412 -0.394 . . . . 0.0 110.028 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -111.97 122.46 47.82 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 t -76.09 120.03 25.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . 0.592 HG22 ' O ' ' C' ' 32' ' ' SER . 1.2 t -124.11 119.41 26.51 Favored Pre-proline 0 C--O 1.246 0.872 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.141 -173.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.85 134.77 59.08 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 CA-C-O 122.302 0.876 . . . . 0.0 111.909 173.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -85.74 132.14 34.19 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.13 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.06 144.36 56.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -173.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 125.58 26.81 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.34 171.25 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.134 1.408 . . . . 0.0 115.37 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . 0.692 ' HB2' ' OH ' ' C' ' 48' ' ' TYR . 17.8 mt -128.4 124.44 36.33 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 175.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . 0.565 HG12 ' HB3' ' C' ' 28' ' ' ALA . 0.2 OUTLIER -90.98 137.57 21.45 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 164.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 1.295 ' OH ' ' HB3' ' C' ' 62' ' ' LYS . 0.0 OUTLIER -151.98 157.74 42.15 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 122.049 0.928 . . . . 0.0 112.911 175.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.839 HG13 ' CE2' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -118.73 131.09 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 113.507 -1.679 . . . . 0.0 108.418 174.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.05 137.64 44.81 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.19 122.05 42.41 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 170.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 7.5 t -84.08 171.19 13.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.238 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -71.65 -10.34 59.62 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.593 -0.843 . . . . 0.0 113.201 -170.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.68 7.41 14.92 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.021 170.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 4.0 t 73.83 -1.25 3.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.507 1.523 . . . . 0.0 114.749 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.505 HG22 HD11 ' C' ' 49' ' ' ILE . 0.0 OUTLIER -102.18 129.12 54.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.147 -177.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 1.4 m-70 -117.61 125.25 50.44 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . 0.448 ' HE2' HG23 ' C' ' 47' ' ' VAL . 0.3 OUTLIER -98.79 118.98 36.77 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.213 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.73 156.9 41.68 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -171.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . 0.433 ' HZ2' ' CZ ' ' C' ' 107' ' ' PHE . 4.0 m-90 -130.46 128.29 40.96 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.466 -1.697 . . . . 0.0 108.718 169.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . 1.295 ' HB3' ' OH ' ' C' ' 48' ' ' TYR . 0.6 OUTLIER -120.75 134.35 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.742 -176.313 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -74.29 115.36 13.71 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 173.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -64.1 -32.29 73.8 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -176.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p -72.49 -46.23 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -91.43 -20.51 21.7 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.559 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.75 60.84 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.53 130.03 39.68 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.624 1.212 . . . . 0.0 113.18 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.19 109.11 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.47 -28.77 15.29 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.062 -171.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -122.07 135.53 54.83 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.861 0.839 . . . . 0.0 109.386 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.94 103.35 2.4 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.569 -2.382 . . . . 0.0 104.569 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 16.5 mt -118.09 123.27 45.22 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.275 -174.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 mp -75.89 124.28 33.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.377 1.084 . . . . 0.0 111.715 168.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.96 130.33 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.632 -174.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -101.27 158.98 30.75 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.463 1.102 . . . . 0.0 110.861 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.32 133.87 58.15 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.931 2.421 . . . . 0.0 111.289 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.6 6.7 5.85 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -175.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . 0.416 ' OD2' HG21 ' A' ' 44' ' ' ILE . 20.5 m-20 -70.36 -33.67 71.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.003 0.819 . . . . 0.0 109.543 176.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 18.7 p -154.9 168.26 27.53 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.442 -1.303 . . . . 0.0 113.605 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -133.48 139.26 46.57 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.501 -1.681 . . . . 0.0 107.065 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.538 ' CG ' HG11 ' C' ' 124' ' ' VAL . 17.8 t80 -106.72 124.21 49.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 156.45 42.44 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -67.78 142.83 56.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.357 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . 0.711 ' HB ' HG13 ' C' ' 93' ' ' VAL . 2.5 t -94.23 98.3 2.83 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 171.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -61.07 -31.87 91.23 Favored 'Trans proline' 0 C--N 1.329 -0.479 0 N-CA-C 117.837 2.207 . . . . 0.0 117.837 -167.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -91.09 8.64 34.54 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.236 -164.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . 0.526 ' HB2' HG11 ' C' ' 93' ' ' VAL . 12.7 t -85.12 119.66 72.69 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -56.97 -19.91 34.39 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.97 0.984 . . . . 0.0 114.39 -173.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 6.6 m -65.48 -34.61 78.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.419 0.554 . . . . 0.0 110.131 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.43 13.12 64.84 Favored Glycine 0 CA--C 1.506 -0.529 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.534 -172.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -120.99 16.98 11.72 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . 0.711 HG13 ' HB ' ' C' ' 85' ' ' VAL . 2.7 p -96.92 133.39 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . 0.508 ' CB ' ' CZ ' ' C' ' 82' ' ' PHE . 1.9 m-85 -125.06 151.76 45.22 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 125.572 1.795 . . . . 0.0 110.43 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -126.93 135.4 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.42 108.12 20.3 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 104.906 -2.257 . . . . 0.0 104.906 169.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -109.22 125.14 51.94 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -84.73 115.68 22.82 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.135 0.897 . . . . 0.0 109.214 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . 0.636 ' HG2' HD12 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.41 -25.17 68.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.412 -169.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.29 115.12 28.79 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 173.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.97 172.43 27.64 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -172.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.47 9.12 33.23 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 122.099 -0.648 . . . . 0.0 110.484 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -70.65 129.23 38.61 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.593 -165.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.07 141.73 46.15 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.948 175.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 25.4 mt -124.51 126.24 45.53 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -100.88 143.64 30.79 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.68 1.237 . . . . 0.0 110.316 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . 0.433 ' CZ ' ' HZ2' ' C' ' 61' ' ' TRP . 0.5 OUTLIER -137.07 156.67 48.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.26 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -131.36 126.66 35.83 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.394 175.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . 0.449 ' HE1' HG23 ' C' ' 114' ' ' THR . 0.0 OUTLIER -62.75 137.79 58.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.272 -174.729 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -118.84 3.98 11.54 Favored 'General case' 0 N--CA 1.428 -1.534 0 CA-C-N 114.627 -1.169 . . . . 0.0 110.31 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.37 135.88 93.97 Favored Pre-proline 0 C--O 1.265 1.906 0 CA-C-O 123.164 1.459 . . . . 0.0 108.63 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.24 -41.35 43.05 Favored 'Trans proline' 0 C--O 1.246 0.915 0 C-N-CA 117.603 -1.132 . . . . 0.0 112.466 -174.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.12 146.96 24.22 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.513 173.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . 0.47 HG22 ' O ' ' C' ' 114' ' ' THR . 84.9 m -83.49 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.158 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -53.61 -33.84 56.38 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -103.08 5.77 38.2 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . 0.404 ' HB3' ' SD ' ' C' ' 109' ' ' MET . 22.9 p-10 -56.91 -48.8 77.37 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 118.986 -1.086 . . . . 0.0 110.276 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -32.18 70.41 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.492 -173.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -44.04 79.9 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 175.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . 0.468 ' O ' HG12 ' C' ' 124' ' ' VAL . 3.8 t60 -55.49 -45.89 76.99 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.021 -1.05 . . . . 0.0 112.37 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . 0.806 ' O ' HG13 ' C' ' 124' ' ' VAL . 0.8 OUTLIER -60.64 -43.1 97.94 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.677 0.751 . . . . 0.0 110.326 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -61.83 -43.51 98.71 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.117 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -64.26 -42.29 96.55 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . 1.012 ' HA ' ' CE1' ' C' ' 127' ' ' TYR . 0.6 OUTLIER -52.28 -51.96 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.421 175.496 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . 0.49 ' HA ' HD23 ' C' ' 128' ' ' LEU . 0.3 OUTLIER -60.25 -39.62 87.4 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.27 -45.97 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.461 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . 1.012 ' CE1' ' HA ' ' C' ' 124' ' ' VAL . 0.4 OUTLIER -79.09 -24.42 43.47 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.35 -174.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.575 ' N ' ' CD2' ' C' ' 127' ' ' TYR . 0.4 OUTLIER -79.1 -36.05 41.33 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.745 -0.782 . . . . 0.0 112.282 174.506 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . 0.458 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 8.8 t-20 -110.74 -11.08 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -168.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -141.21 71.84 27.21 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 169.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -47.05 170.11 0.05 OUTLIER 'Trans proline' 0 C--N 1.315 -1.191 0 C-N-CA 121.58 1.52 . . . . 0.0 111.667 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo . . . . . 0 C--N 1.29 -2.543 0 C-N-CA 122.462 2.108 . . . . 0.0 111.624 -179.88 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 mmm . . . . . 0 CA--C 1.549 0.942 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -91.02 138.22 31.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 126.881 2.613 . . . . 0.0 108.957 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.9 pt -131.23 162.98 38.29 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.03 140.2 49.5 Favored 'General case' 0 N--CA 1.513 2.683 1 O-C-N 130.566 4.916 . . . . 0.0 108.771 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -118.07 114.24 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.576 175.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.23 127.53 41.36 Favored 'General case' 0 N--CA 1.505 2.285 1 O-C-N 129.297 4.123 . . . . 0.0 107.874 -178.073 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.6 170.78 8.35 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.861 -1.066 . . . . 0.0 109.345 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.31 -7.08 50.04 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 124.133 0.895 . . . . 0.0 112.663 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 t -101.54 15.0 30.27 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 115.627 -2.429 . . . . 0.0 112.017 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.81 80.02 Favored Glycine 0 C--N 1.297 -1.585 0 O-C-N 120.181 -1.575 . . . . 0.0 116.047 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.54 138.08 34.66 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 174.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.7 p -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.582 2.426 . . . . 0.0 105.885 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.566 HG22 ' CD1' ' A' ' 15' ' ' LEU . 2.4 mp -109.62 141.98 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 127.68 3.112 . . . . 0.0 108.851 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.6 t -101.43 139.66 36.79 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.177 -1.809 . . . . 0.0 108.207 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.566 ' CD1' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -126.36 154.16 43.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 115.452 -2.213 . . . . 0.0 108.322 -179.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.84 121.0 43.87 Favored 'General case' 0 N--CA 1.498 1.942 1 O-C-N 129.173 4.046 . . . . 0.0 103.664 173.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.96 170.56 16.03 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 O-C-N 127.511 3.007 . . . . 0.0 111.227 -177.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -119.96 144.55 37.74 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 112.318 -2.219 . . . . 0.0 106.382 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -55.04 -24.21 39.07 Favored 'Trans proline' 0 C--N 1.319 -0.987 0 C-N-CA 122.448 2.098 . . . . 0.0 112.007 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 p -80.19 -8.01 59.23 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.886 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -71.04 148.4 47.61 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 117.409 -1.717 . . . . 0.0 109.782 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.936 HG23 ' H ' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -83.79 160.49 21.21 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.795 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.8 mp -61.44 -37.01 76.77 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 O-C-N 127.139 2.774 . . . . 0.0 110.263 175.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.936 ' H ' HG23 ' A' ' 22' ' ' THR . 0.7 OUTLIER -57.66 -40.18 78.74 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.252 -0.905 . . . . 0.0 110.698 177.038 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.81 ' H ' HG22 ' A' ' 22' ' ' THR . 99.2 m-20 -68.31 -41.85 80.25 Favored 'General case' 0 C--O 1.263 1.804 0 O-C-N 121.959 -0.463 . . . . 0.0 110.982 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -46.46 88.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 O-C-N 124.379 1.049 . . . . 0.0 109.237 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HG2' ' CD ' ' A' ' 41' ' ' GLN . 17.7 mtpt -60.78 -37.93 83.57 Favored 'General case' 0 C--O 1.259 1.591 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.806 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.12 87.26 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 118.14 0.427 . . . . 0.0 111.065 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -64.19 -37.37 87.23 Favored 'General case' 0 C--O 1.255 1.363 0 O-C-N 120.484 -1.385 . . . . 0.0 110.703 176.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -70.03 -39.51 77.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -62.23 -48.73 78.69 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 125.492 2.567 . . . . 0.0 109.086 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.24 -41.76 65.74 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-N 113.534 -1.667 . . . . 0.0 111.98 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 7.0 tttt -93.57 -24.23 18.02 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -175.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -123.4 -6.41 8.19 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 123.08 2.673 . . . . 0.0 114.314 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.53 90.05 Favored Glycine 0 CA--C 1.476 -2.36 0 N-CA-C 119.004 2.362 . . . . 0.0 119.004 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.472 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 57.0 mt -79.78 124.71 83.3 Favored Pre-proline 0 C--O 1.244 0.799 0 C-N-CA 118.914 -1.114 . . . . 0.0 110.968 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 83.1 Cg_exo -56.97 136.94 79.62 Favored 'Trans proline' 0 C--O 1.257 1.462 0 C-N-CA 123.284 2.656 . . . . 0.0 110.778 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.8 Cg_exo -57.26 -31.89 92.08 Favored 'Trans proline' 0 C--O 1.262 1.705 0 O-C-N 122.963 0.981 . . . . 0.0 113.645 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.5 -15.3 63.49 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.839 -1.788 . . . . 0.0 112.219 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -96.06 -10.22 28.96 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.77 -1.206 . . . . 0.0 111.999 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.414 ' CD ' ' HG2' ' A' ' 27' ' ' LYS . 4.9 tm0? -84.84 129.57 34.79 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 124.379 2.038 . . . . 0.0 115.767 -177.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 116.06 24.33 Favored 'General case' 0 C--O 1.298 3.653 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 171.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 44' ' ' ILE . 13.2 mt -103.46 130.17 50.76 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 119.495 1.043 . . . . 0.0 109.95 -177.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -122.01 131.82 72.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 125.05 1.469 . . . . 0.0 111.987 -177.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -144.33 129.56 18.73 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 46.03 19.82 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 112.25 -2.25 . . . . 0.0 110.743 177.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.4 ' HA3' ' CE1' ' C' ' 98' ' ' PHE . . . 61.72 21.67 61.0 Favored Glycine 0 N--CA 1.431 -1.659 0 C-N-CA 128.598 2.999 . . . . 0.0 117.538 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -115.11 142.83 46.12 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.82 130.25 34.6 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 103.769 -2.678 . . . . 0.0 103.769 174.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.41 138.08 37.5 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 117.605 -1.188 . . . . 0.0 110.272 -176.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -101.78 140.08 36.55 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 125.103 1.502 . . . . 0.0 109.934 -177.678 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -47.96 -42.53 27.8 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.783 3.623 . . . . 0.0 120.783 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.79 85.57 Favored Glycine 0 CA--C 1.49 -1.508 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.733 ' O ' HD12 ' A' ' 23' ' ' ILE . 13.2 mtt-85 -85.54 165.44 17.09 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 119.811 -1.994 . . . . 0.0 107.952 176.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.4 p -104.52 164.88 11.43 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -35.93 79.56 Favored 'General case' 0 C--O 1.203 -1.358 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -64.19 -29.46 70.57 Favored 'General case' 0 C--O 1.267 1.996 0 C-N-CA 117.247 -1.781 . . . . 0.0 112.216 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.48 -39.64 70.66 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 122.476 1.131 . . . . 0.0 110.683 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -90.76 4.72 50.84 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 117.701 -1.142 . . . . 0.0 113.064 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t30 58.12 45.16 18.07 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 121.583 1.992 . . . . 0.0 111.184 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.9 mt -88.75 116.51 30.53 Favored 'Isoleucine or valine' 0 C--O 1.267 2.017 0 CA-C-O 115.152 -2.356 . . . . 0.0 106.202 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -103.52 169.76 8.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 126.093 2.121 . . . . 0.0 109.289 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -54.92 142.89 27.95 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.274 1.511 . . . . 0.0 109.076 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.09 19.22 10.49 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -71.19 159.58 34.4 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.562 HG21 ' HB ' ' B' ' 70' ' ' VAL . 1.3 t -119.2 126.8 52.4 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 118.12 -0.943 . . . . 0.0 108.834 175.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mt -103.21 154.54 19.22 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 114.82 -2.514 . . . . 0.0 105.62 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -105.58 135.61 46.68 Favored 'General case' 0 C--N 1.288 -2.106 0 O-C-N 127.323 2.889 . . . . 0.0 105.888 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.84 115.84 30.88 Favored 'General case' 0 C--O 1.284 2.896 0 CA-C-O 117.636 -1.174 . . . . 0.0 111.454 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.7 t -108.12 139.91 28.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 103.574 -2.75 . . . . 0.0 103.574 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mp -96.14 138.95 33.0 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.302 0.572 . . . . 0.0 109.816 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 . . . . . 0 C--N 1.279 -2.491 0 CA-C-O 113.141 -3.314 . . . . 0.0 105.533 178.563 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.01 138.47 31.58 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 127.194 2.809 . . . . 0.0 108.83 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.702 HD11 HG22 ' B' ' 61' ' ' ILE . 0.0 OUTLIER -131.11 163.02 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 CA-C-O 115.788 -2.053 . . . . 0.0 105.907 173.288 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.518 ' N ' HG23 ' B' ' 3' ' ' ILE . 47.3 m-85 -115.97 140.19 49.5 Favored 'General case' 0 N--CA 1.513 2.715 1 O-C-N 130.568 4.918 . . . . 0.0 108.57 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -117.96 114.1 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.794 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 127.57 41.22 Favored 'General case' 0 N--CA 1.502 2.148 1 O-C-N 129.171 4.044 . . . . 0.0 108.245 -178.15 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.2 p -99.51 170.83 8.33 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 117.795 -1.098 . . . . 0.0 109.238 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.4 -7.05 50.07 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.085 0.865 . . . . 0.0 112.806 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.1 14.72 31.06 Favored 'General case' 0 N--CA 1.506 2.326 0 C-N-CA 115.74 -2.384 . . . . 0.0 112.028 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.48 16.7 80.05 Favored Glycine 0 C--N 1.295 -1.699 0 O-C-N 120.202 -1.561 . . . . 0.0 116.069 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.16 137.87 34.6 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -119.91 131.85 55.35 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 126.409 2.318 . . . . 0.0 106.199 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.1 mm -109.42 141.77 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 127.794 3.184 . . . . 0.0 109.104 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.4 m -101.15 139.86 36.25 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 117.01 -1.876 . . . . 0.0 108.377 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.51 154.06 44.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 115.6 -2.143 . . . . 0.0 108.352 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.77 121.16 44.33 Favored 'General case' 0 N--CA 1.495 1.821 1 O-C-N 129.16 4.038 . . . . 0.0 103.543 174.049 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.401 HG13 ' N ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -139.05 170.57 15.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 O-C-N 127.841 3.213 . . . . 0.0 111.246 -177.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.401 ' N ' HG13 ' B' ' 17' ' ' VAL . 3.5 mm-40 -120.01 144.62 37.99 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-N 112.158 -2.292 . . . . 0.0 106.328 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.95 -24.69 40.53 Favored 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 122.702 2.268 . . . . 0.0 111.523 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -8.34 59.19 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 121.154 -0.967 . . . . 0.0 110.99 -177.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.89 148.56 47.65 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 117.302 -1.759 . . . . 0.0 109.803 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.1 p -84.0 160.52 21.0 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 175.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.506 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 42.2 mm -61.41 -36.77 75.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 126.899 2.624 . . . . 0.0 110.385 175.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -42.93 77.76 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 120.405 -1.434 . . . . 0.0 110.966 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -44.64 90.86 Favored 'General case' 0 C--O 1.25 1.107 0 C-N-CA 124.305 1.042 . . . . 0.0 111.442 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.53 -46.33 89.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.997 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.549 ' O ' HG22 ' B' ' 30' ' ' ILE . 74.8 mttt -60.77 -37.96 83.65 Favored 'General case' 0 C--O 1.254 1.335 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.845 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.07 87.13 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 123.495 0.497 . . . . 0.0 111.379 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -64.03 -37.41 87.33 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-O 122.959 1.361 . . . . 0.0 110.81 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.598 HG23 ' CG1' ' B' ' 36' ' ' ILE . 1.8 tp -69.75 -39.73 78.31 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.9 -48.87 78.54 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-O 125.597 2.618 . . . . 0.0 109.038 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -41.84 66.38 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-N 113.687 -1.597 . . . . 0.0 111.821 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 10.7 tttt -93.37 -24.35 18.12 Favored 'General case' 0 C--O 1.28 2.683 0 N-CA-C 117.184 2.29 . . . . 0.0 117.184 -175.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -123.64 -6.33 8.06 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 122.959 2.618 . . . . 0.0 113.855 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.91 5.7 89.93 Favored Glycine 0 CA--C 1.476 -2.363 0 N-CA-C 118.708 2.243 . . . . 0.0 118.708 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.598 ' CG1' HG23 ' B' ' 30' ' ' ILE . 0.9 OUTLIER -79.88 125.07 82.84 Favored Pre-proline 0 C--O 1.241 0.641 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.075 179.593 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 86.6 Cg_exo -57.27 137.14 80.32 Favored 'Trans proline' 0 C--O 1.255 1.333 0 C-N-CA 122.829 2.352 . . . . 0.0 110.844 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -57.25 -32.31 93.27 Favored 'Trans proline' 0 C--O 1.261 1.65 0 O-C-N 123.046 1.024 . . . . 0.0 113.287 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -68.21 -15.58 63.63 Favored 'General case' 0 C--O 1.264 1.843 0 O-C-N 119.981 -1.699 . . . . 0.0 112.236 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.8 ' O ' HD23 ' B' ' 71' ' ' LEU . 0.2 OUTLIER -95.47 -10.54 29.52 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 120.557 -1.34 . . . . 0.0 112.324 178.367 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.491 ' OE1' HG21 ' B' ' 30' ' ' ILE . 15.6 tt0 -84.87 129.74 34.76 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.23 1.967 . . . . 0.0 115.791 -177.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 0.9 OUTLIER -121.24 115.99 24.04 Favored 'General case' 0 C--O 1.298 3.656 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.28 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 tp -103.51 130.27 50.86 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 119.563 1.074 . . . . 0.0 110.048 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.704 HD12 ' N ' ' B' ' 45' ' ' PHE . 0.1 OUTLIER -122.02 131.65 72.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 O-C-N 125.112 1.507 . . . . 0.0 111.987 -177.509 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.704 ' N ' HD12 ' B' ' 44' ' ' ILE . 93.0 t80 -144.23 129.69 18.96 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.25 45.99 20.0 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 112.053 -2.339 . . . . 0.0 110.618 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 20.23 59.47 Favored Glycine 0 C--N 1.298 -1.554 0 C-N-CA 128.229 2.823 . . . . 0.0 117.379 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -109.89 143.78 39.31 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 115.344 -2.265 . . . . 0.0 111.0 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -87.12 130.31 34.57 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 104.026 -2.583 . . . . 0.0 104.026 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.64 138.43 37.4 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.151 -175.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.97 140.06 36.77 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 125.209 1.568 . . . . 0.0 109.911 -177.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.506 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.1 p30 -48.37 -41.95 30.21 Favored 'General case' 0 C--O 1.263 1.812 0 N-CA-C 120.748 3.61 . . . . 0.0 120.748 -175.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.21 -8.58 85.18 Favored Glycine 0 N--CA 1.477 1.385 0 N-CA-C 115.976 1.151 . . . . 0.0 115.976 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -85.57 165.31 17.17 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 120.132 -1.805 . . . . 0.0 108.019 176.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 8.1 p -104.22 164.48 11.69 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 176.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -36.28 79.38 Favored 'General case' 0 C--O 1.201 -1.478 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.8 p -63.68 -29.81 70.99 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 117.301 -1.76 . . . . 0.0 112.226 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -39.01 70.21 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 122.568 1.175 . . . . 0.0 110.843 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -91.18 4.58 51.88 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.611 -1.185 . . . . 0.0 112.878 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.88 45.43 18.41 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-N 121.672 2.033 . . . . 0.0 111.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.702 HG22 HD11 ' B' ' 3' ' ' ILE . 6.9 mt -88.78 116.29 30.16 Favored 'Isoleucine or valine' 0 C--O 1.271 2.19 0 CA-C-O 115.019 -2.419 . . . . 0.0 106.273 175.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.31 169.56 8.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 126.128 2.143 . . . . 0.0 109.677 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 142.98 28.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.093 1.425 . . . . 0.0 109.272 -176.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 67.05 19.04 10.56 Favored 'General case' 0 C--O 1.257 1.461 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.443 ' HB2' HD11 ' B' ' 3' ' ' ILE . 3.5 m -71.1 159.52 34.55 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.1 m -118.98 126.59 52.1 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 118.236 -0.888 . . . . 0.0 108.809 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.1 154.62 19.1 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.666 -2.588 . . . . 0.0 105.794 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.513 ' O ' HG23 ' B' ' 44' ' ' ILE . 10.3 t60 -105.62 135.8 46.37 Favored 'General case' 0 C--N 1.283 -2.323 0 O-C-N 127.597 3.061 . . . . 0.0 105.643 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.425 ' C ' HD23 ' B' ' 69' ' ' LEU . 4.6 tt -107.1 115.68 30.6 Favored 'General case' 0 C--O 1.284 2.884 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.433 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.562 ' HB ' HG21 ' A' ' 66' ' ' THR . 0.8 OUTLIER -108.04 139.9 28.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 103.483 -2.784 . . . . 0.0 103.483 175.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 1.079 HD22 ' C ' ' B' ' 71' ' ' LEU . 0.1 OUTLIER -96.14 -83.41 0.37 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.053 0.454 . . . . 0.0 109.849 178.382 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.603 ' N ' HD22 ' B' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.534 0 CA-C-O 113.418 -3.182 . . . . 0.0 105.395 177.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.673 0.749 . . . . 0.0 110.711 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -89.0 137.87 31.92 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.583 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.18 -39.65 75.12 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.66 0.743 . . . . 0.0 111.8 172.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -144.36 136.13 21.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.154 1.382 . . . . 0.0 107.375 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.35 148.09 34.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 119.674 -0.81 . . . . 0.0 110.477 165.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -161.02 155.2 22.85 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.182 0.926 . . . . 0.0 111.238 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -72.3 127.88 33.91 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.181 -1.372 . . . . 0.0 112.309 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.23 147.65 6.66 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.111 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.85 25.2 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -109.17 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 20.0 mtt -137.16 161.0 37.34 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 3.0 m -136.6 156.57 48.39 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.804 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.32 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.324 -1.911 . . . . 0.0 108.324 -169.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.56 18.45 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.374 -0.413 . . . . 0.0 109.969 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.96 122.62 48.27 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.2 120.06 25.5 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -124.09 119.37 26.53 Favored Pre-proline 0 C--O 1.244 0.815 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.141 -173.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.9 134.75 58.79 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-O 122.348 0.895 . . . . 0.0 111.855 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.7 132.2 34.19 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 172.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.03 -11.18 59.58 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -172.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 144.33 56.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -173.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -68.08 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 171.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . 0.461 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.31 171.29 21.55 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.266 1.481 . . . . 0.0 115.311 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.46 124.4 36.09 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 175.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 77.3 t -90.97 137.54 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 164.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -151.88 157.8 42.35 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.973 0.892 . . . . 0.0 112.999 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 5.9 mt -118.83 131.03 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.559 -1.655 . . . . 0.0 108.351 174.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -133.97 137.66 44.95 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -100.2 122.08 42.46 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.04 171.15 13.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.296 177.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -71.66 -10.37 59.67 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -170.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.64 7.35 14.99 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.264 -0.174 . . . . 0.0 110.994 170.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 14.7 t 73.84 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.45 1.5 . . . . 0.0 114.713 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 73.6 mt -74.89 149.96 39.32 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.21 -0.996 . . . . 0.0 113.087 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.648 ' O ' HD12 ' C' ' 75' ' ' ILE . 3.6 mp -102.25 129.03 54.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.145 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 28.0 m80 -117.54 125.29 50.57 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -98.74 118.99 36.72 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -127.71 156.86 41.72 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.48 128.26 40.88 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 113.505 -1.679 . . . . 0.0 108.723 169.314 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.63 134.32 55.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.782 -176.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -74.26 115.32 13.63 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 173.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -64.06 -32.35 73.87 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 72.5 p -72.56 -46.15 55.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 48.4 t -91.45 -20.5 21.7 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.535 -176.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.67 2.6 60.97 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 119.685 -0.508 . . . . 0.0 113.671 -171.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.51 130.01 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.685 1.242 . . . . 0.0 113.173 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . 0.421 HG12 ' H ' ' C' ' 69' ' ' VAL . 0.7 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.444 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -94.54 -28.84 15.21 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.913 -171.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.0 135.57 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.903 0.859 . . . . 0.0 109.386 177.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.02 103.37 2.39 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.06 123.24 45.15 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.253 -174.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 3.4 mp -75.87 124.3 33.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.434 1.112 . . . . 0.0 111.661 168.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.648 HD12 ' O ' ' C' ' 57' ' ' ILE . 0.3 OUTLIER -123.04 130.28 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.372 0 CA-C-N 114.581 -1.19 . . . . 0.0 109.613 -174.354 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -101.2 158.91 30.89 Favored Pre-proline 0 C--O 1.241 0.652 0 O-C-N 124.45 1.093 . . . . 0.0 110.905 173.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.24 133.85 57.78 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.949 2.432 . . . . 0.0 111.327 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.81 5.89 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -70.37 -33.66 71.69 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.986 0.812 . . . . 0.0 109.56 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 168.12 27.98 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.441 -1.304 . . . . 0.0 113.601 -173.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.42 139.32 46.68 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.434 -1.712 . . . . 0.0 106.973 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -106.71 124.26 49.35 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.58 156.49 42.49 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.82 142.84 56.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.35 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . 0.629 ' HB ' HG23 ' C' ' 93' ' ' VAL . 4.4 t -94.32 98.33 2.89 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 171.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -60.92 -31.99 92.09 Favored 'Trans proline' 0 C--N 1.329 -0.451 0 N-CA-C 117.816 2.199 . . . . 0.0 117.816 -167.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -91.0 8.53 34.83 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.972 -1.491 . . . . 0.0 112.306 -164.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . 0.555 ' HB2' HG21 ' C' ' 93' ' ' VAL . 8.8 t -85.04 119.66 72.76 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.0 -19.85 34.29 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.403 -173.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -65.48 -34.64 78.76 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.501 0.591 . . . . 0.0 110.092 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.41 13.07 64.7 Favored Glycine 0 CA--C 1.505 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.569 -172.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -120.92 17.0 11.78 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . 0.629 HG23 ' HB ' ' C' ' 85' ' ' VAL . 3.1 m -97.08 133.48 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' C' ' 109' ' ' MET . 1.0 OUTLIER -125.05 151.76 45.2 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 125.551 1.782 . . . . 0.0 110.402 178.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.04 135.43 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 tp -95.48 108.07 20.28 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -109.19 125.26 52.03 Favored 'General case' 0 CA--C 1.485 -1.525 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -171.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.4 ' CE1' ' HA3' ' A' ' 47' ' ' GLY . 98.8 m-85 -84.79 115.65 22.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.122 0.888 . . . . 0.0 109.262 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -63.39 -25.12 68.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.447 -169.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.29 115.19 28.9 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . 0.598 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.93 172.38 27.69 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -172.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.45 9.15 33.02 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 122.04 -0.682 . . . . 0.0 110.562 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.76 129.21 38.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.876 -1.53 . . . . 0.0 110.593 -165.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.02 141.79 46.25 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.908 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.8 mt -124.54 126.21 45.46 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.91 143.62 30.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.306 -177.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -137.04 156.75 48.03 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.297 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -131.5 126.63 35.45 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.372 175.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . 0.495 ' HB2' ' CE2' ' C' ' 94' ' ' TYR . 54.3 tpp -62.73 137.75 58.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.257 -174.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -118.86 4.05 11.52 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.256 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.33 135.92 93.92 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.099 1.428 . . . . 0.0 108.623 172.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.25 -41.43 42.37 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 146.93 24.22 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 121.115 0.484 . . . . 0.0 110.532 173.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 12.3 t -83.47 -9.26 59.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.187 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.18 5.73 37.91 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -174.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -56.85 -48.78 77.28 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.352 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -32.21 70.55 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.313 -0.955 . . . . 0.0 110.593 -173.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -67.35 -43.99 80.13 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -55.62 -45.87 77.45 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.985 -1.072 . . . . 0.0 112.322 173.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 36.3 t -60.58 -43.08 97.73 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.676 0.751 . . . . 0.0 110.333 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.9 -43.48 98.75 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.128 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -42.27 96.6 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 29.6 t -52.37 -51.87 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.408 175.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . 0.52 ' HA ' HD23 ' C' ' 128' ' ' LEU . 17.7 m-20 -60.31 -39.51 87.27 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -46.01 81.92 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.429 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -78.97 -24.49 43.8 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 119.502 -0.879 . . . . 0.0 112.412 -174.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.03 -36.13 41.56 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.78 -0.768 . . . . 0.0 112.245 174.519 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . 0.475 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 19.7 t-20 -110.74 -11.04 14.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -168.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -141.26 71.88 26.96 Favored Pre-proline 0 N--CA 1.467 0.413 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 169.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -79.34 171.48 15.99 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.63 1.553 . . . . 0.0 111.577 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 C--N 1.292 -2.446 0 C-N-CA 122.51 2.14 . . . . 0.0 111.576 179.709 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.17 138.21 31.77 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 126.823 2.577 . . . . 0.0 108.882 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.4 HD11 HD12 ' A' ' 15' ' ' LEU . 2.4 pp -131.27 163.08 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.362 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.93 140.26 49.42 Favored 'General case' 0 N--CA 1.513 2.721 1 O-C-N 130.514 4.883 . . . . 0.0 108.774 179.672 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.8 t -118.09 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-O 113.397 -3.192 . . . . 0.0 105.634 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.23 127.53 41.35 Favored 'General case' 0 N--CA 1.505 2.306 1 O-C-N 129.304 4.128 . . . . 0.0 107.892 -178.081 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -99.66 170.79 8.33 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.896 -1.049 . . . . 0.0 109.324 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.31 -7.04 49.89 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 124.104 0.878 . . . . 0.0 112.697 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.51 14.95 30.4 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.686 -2.406 . . . . 0.0 112.04 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.8 80.03 Favored Glycine 0 C--N 1.298 -1.56 0 O-C-N 120.158 -1.588 . . . . 0.0 115.972 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.5 138.1 34.58 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 p -119.95 131.69 55.27 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 126.683 2.489 . . . . 0.0 105.916 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.59 142.01 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 127.639 3.087 . . . . 0.0 108.831 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 t -101.47 139.67 36.8 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 117.142 -1.823 . . . . 0.0 108.098 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD12 HD11 ' A' ' 3' ' ' ILE . 14.1 mt -126.38 154.08 44.06 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.327 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -111.83 121.0 43.87 Favored 'General case' 0 N--CA 1.5 2.059 1 O-C-N 129.287 4.117 . . . . 0.0 103.627 173.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.92 170.64 15.96 Favored 'Isoleucine or valine' 0 C--O 1.254 1.33 0 O-C-N 127.558 3.036 . . . . 0.0 111.22 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 144.49 37.75 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 112.338 -2.21 . . . . 0.0 106.335 174.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -54.83 -24.51 38.81 Favored 'Trans proline' 0 C--N 1.322 -0.848 0 C-N-CA 122.537 2.158 . . . . 0.0 111.987 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -79.91 -8.17 59.17 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.962 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.99 148.42 47.67 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 117.497 -1.681 . . . . 0.0 109.814 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.76 160.5 21.24 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 175.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 mm -61.47 -37.05 76.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 O-C-N 127.168 2.792 . . . . 0.0 110.235 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -57.57 -40.16 78.36 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.344 -0.847 . . . . 0.0 110.753 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.28 -41.98 80.22 Favored 'General case' 0 C--O 1.262 1.724 0 O-C-N 121.857 -0.527 . . . . 0.0 110.948 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.15 -46.46 88.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 O-C-N 124.453 1.096 . . . . 0.0 109.167 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -60.92 -37.81 83.6 Favored 'General case' 0 C--O 1.258 1.543 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.717 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.01 86.65 Favored 'General case' 0 C--O 1.276 2.485 0 CA-C-N 118.132 0.424 . . . . 0.0 111.099 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.11 -37.52 87.74 Favored 'General case' 0 C--O 1.254 1.333 0 CA-C-O 123.074 1.416 . . . . 0.0 110.712 176.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.94 -39.53 77.63 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -62.22 -48.71 78.79 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 125.574 2.607 . . . . 0.0 109.118 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -53.26 -41.72 65.78 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.378 -1.737 . . . . 0.0 111.949 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 3.4 tptm -93.59 -24.22 18.01 Favored 'General case' 0 C--O 1.281 2.755 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.48 -6.44 8.14 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.132 2.696 . . . . 0.0 114.173 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.66 89.99 Favored Glycine 0 CA--C 1.478 -2.254 0 N-CA-C 118.855 2.302 . . . . 0.0 118.855 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.474 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.1 mt -79.79 124.77 83.24 Favored Pre-proline 0 C--O 1.244 0.786 0 C-N-CA 118.841 -1.144 . . . . 0.0 110.972 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 84.0 Cg_exo -56.91 136.81 78.73 Favored 'Trans proline' 0 C--O 1.259 1.541 0 C-N-CA 123.305 2.67 . . . . 0.0 110.825 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.3 Cg_exo -57.1 -32.04 92.12 Favored 'Trans proline' 0 C--O 1.264 1.795 0 O-C-N 122.984 0.992 . . . . 0.0 113.568 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -68.49 -15.37 63.52 Favored 'General case' 0 C--O 1.261 1.669 0 O-C-N 119.87 -1.769 . . . . 0.0 112.169 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.95 -10.25 29.15 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.596 -1.315 . . . . 0.0 112.054 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -84.99 129.69 34.75 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 124.425 2.059 . . . . 0.0 115.669 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 116.04 24.28 Favored 'General case' 0 C--O 1.299 3.683 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 171.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.1 mt -103.59 130.22 50.98 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 119.597 1.09 . . . . 0.0 109.889 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.661 HD12 ' OD1' ' C' ' 79' ' ' ASP . 0.1 OUTLIER -122.03 131.86 72.22 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 O-C-N 125.066 1.479 . . . . 0.0 111.923 -177.558 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -144.41 129.57 18.65 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.21 46.06 19.88 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 112.257 -2.247 . . . . 0.0 110.735 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.71 21.65 60.95 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.564 2.983 . . . . 0.0 117.481 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -114.96 142.82 46.09 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -85.93 130.25 34.6 Favored 'General case' 0 C--O 1.257 1.479 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.44 137.99 37.44 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.206 -176.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.7 140.03 36.54 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.058 1.474 . . . . 0.0 110.02 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -47.9 -42.42 26.91 Favored 'General case' 0 C--O 1.264 1.831 0 N-CA-C 120.779 3.622 . . . . 0.0 120.779 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.78 -8.91 85.29 Favored Glycine 0 CA--C 1.49 -1.481 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -85.46 165.34 17.24 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 119.775 -2.015 . . . . 0.0 107.96 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 2.1 p -104.45 164.81 11.48 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mp -61.54 -36.04 79.46 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -29.4 70.52 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 117.253 -1.779 . . . . 0.0 112.231 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -39.57 70.68 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.46 1.124 . . . . 0.0 110.716 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -90.78 4.59 51.23 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 117.619 -1.182 . . . . 0.0 112.969 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 58.1 45.23 18.02 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 121.559 1.981 . . . . 0.0 111.188 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -88.69 116.57 30.59 Favored 'Isoleucine or valine' 0 C--O 1.266 1.944 0 CA-C-O 115.115 -2.374 . . . . 0.0 106.192 175.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -103.63 169.71 8.37 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 126.151 2.157 . . . . 0.0 109.326 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.86 142.95 27.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.262 1.506 . . . . 0.0 109.045 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 67.01 19.13 10.59 Favored 'General case' 0 C--O 1.255 1.379 0 N-CA-C 117.976 2.584 . . . . 0.0 117.976 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.15 159.5 34.57 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.1 126.79 52.47 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 118.19 -0.91 . . . . 0.0 108.814 175.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.18 154.56 19.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 114.685 -2.579 . . . . 0.0 105.583 175.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.412 ' O ' HG23 ' A' ' 44' ' ' ILE . 2.6 t-80 -105.63 135.66 46.62 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 127.474 2.984 . . . . 0.0 105.817 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tt -106.89 115.81 30.83 Favored 'General case' 0 C--O 1.286 2.978 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.478 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.0 t -107.99 139.96 28.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 174.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.2 138.93 33.09 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.342 0.591 . . . . 0.0 109.735 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 . . . . . 0 C--N 1.279 -2.496 0 CA-C-O 113.171 -3.299 . . . . 0.0 105.601 178.569 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -90.9 138.43 31.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 127.154 2.784 . . . . 0.0 108.837 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.13 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-O 115.85 -2.024 . . . . 0.0 105.907 173.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 1.318 ' HD1' ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -115.99 140.17 49.53 Favored 'General case' 0 N--CA 1.515 2.788 1 O-C-N 130.521 4.888 . . . . 0.0 108.593 179.75 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.476 ' N ' ' CD1' ' B' ' 4' ' ' PHE . 38.4 t -117.96 114.05 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.755 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.875 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.06 127.62 41.26 Favored 'General case' 0 N--CA 1.502 2.161 1 O-C-N 129.193 4.058 . . . . 0.0 108.164 -178.135 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.54 170.73 8.39 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.708 -1.139 . . . . 0.0 109.372 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.29 -6.99 49.61 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 124.101 0.876 . . . . 0.0 112.937 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.19 14.8 30.83 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 115.637 -2.425 . . . . 0.0 111.988 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.6 80.17 Favored Glycine 0 C--N 1.296 -1.687 0 O-C-N 120.351 -1.468 . . . . 0.0 116.074 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.14 137.93 34.49 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 174.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.9 131.9 55.38 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 126.39 2.306 . . . . 0.0 106.206 176.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -109.53 141.82 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 127.771 3.17 . . . . 0.0 109.05 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.0 p -101.17 139.94 36.16 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 116.939 -1.904 . . . . 0.0 108.392 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.58 154.02 44.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 115.515 -2.183 . . . . 0.0 108.356 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.78 121.12 44.22 Favored 'General case' 0 N--CA 1.496 1.825 1 O-C-N 129.212 4.07 . . . . 0.0 103.536 174.064 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.07 170.55 15.94 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 O-C-N 127.769 3.168 . . . . 0.0 111.219 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -119.99 144.58 37.87 Favored Pre-proline 0 C--N 1.312 -1.049 0 CA-C-N 112.093 -2.321 . . . . 0.0 106.315 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -54.93 -24.67 40.24 Favored 'Trans proline' 0 C--N 1.318 -1.059 0 C-N-CA 122.563 2.175 . . . . 0.0 111.505 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.6 t -79.87 -8.24 59.18 Favored 'General case' 0 C--O 1.242 0.711 0 O-C-N 121.139 -0.975 . . . . 0.0 110.935 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.98 148.49 47.61 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.409 -1.716 . . . . 0.0 109.737 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.673 ' O ' HG13 ' B' ' 26' ' ' VAL . 2.6 p -83.92 160.5 21.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.664 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.4 mp -61.43 -36.73 75.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 126.853 2.596 . . . . 0.0 110.41 175.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.798 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.22 -42.89 77.96 Favored 'General case' 0 C--O 1.253 1.268 0 O-C-N 120.481 -1.387 . . . . 0.0 110.952 176.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -64.38 -44.64 90.73 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 124.237 1.015 . . . . 0.0 111.433 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.673 HG13 ' O ' ' B' ' 22' ' ' THR . 0.9 OUTLIER -58.51 -46.39 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.282 -1.326 . . . . 0.0 108.893 179.004 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 31.4 mtmt -60.66 -38.12 83.83 Favored 'General case' 0 C--O 1.255 1.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.816 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.21 -37.98 86.86 Favored 'General case' 0 C--O 1.278 2.568 0 O-C-N 123.471 0.482 . . . . 0.0 111.391 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -63.93 -37.54 87.78 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 120.45 -1.407 . . . . 0.0 110.816 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -69.69 -39.74 78.46 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.95 -48.85 78.52 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 125.572 2.605 . . . . 0.0 108.995 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -41.81 66.07 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 113.566 -1.652 . . . . 0.0 111.906 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.327 1.7 mttt -93.31 -24.46 18.12 Favored 'General case' 0 C--O 1.28 2.709 0 N-CA-C 117.213 2.301 . . . . 0.0 117.213 -175.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -123.68 -6.33 8.04 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 122.933 2.606 . . . . 0.0 113.767 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.67 89.99 Favored Glycine 0 CA--C 1.475 -2.409 0 N-CA-C 118.782 2.273 . . . . 0.0 118.782 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.476 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 62.7 mt -79.95 125.03 82.79 Favored Pre-proline 0 C--O 1.241 0.632 0 C-N-CA 118.759 -1.176 . . . . 0.0 111.022 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 84.6 Cg_exo -57.17 137.03 79.97 Favored 'Trans proline' 0 C--O 1.256 1.402 0 C-N-CA 122.93 2.42 . . . . 0.0 110.876 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.4 Cg_exo -57.22 -32.27 93.06 Favored 'Trans proline' 0 C--O 1.26 1.609 0 O-C-N 123.044 1.023 . . . . 0.0 113.342 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.24 -15.57 63.63 Favored 'General case' 0 C--O 1.264 1.855 0 O-C-N 120.089 -1.632 . . . . 0.0 112.281 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.826 ' HB3' HD11 ' B' ' 71' ' ' LEU . 16.2 mm100 -95.44 -10.62 29.38 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.505 -1.372 . . . . 0.0 112.252 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -84.91 129.61 34.78 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 124.287 1.994 . . . . 0.0 115.7 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -121.14 116.09 24.31 Favored 'General case' 0 C--O 1.298 3.634 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 172.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' B' ' 50' ' ' LEU . 0.0 OUTLIER -103.5 130.32 50.85 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.487 1.039 . . . . 0.0 109.975 -177.609 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.606 HD11 ' O ' ' C' ' 99' ' ' LYS . 1.6 mt -121.99 131.62 72.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 O-C-N 125.075 1.484 . . . . 0.0 112.07 -177.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -144.27 129.88 19.1 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.9 19.6 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 111.889 -2.414 . . . . 0.0 110.71 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.93 20.24 59.78 Favored Glycine 0 C--N 1.298 -1.533 0 C-N-CA 128.159 2.79 . . . . 0.0 117.274 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -109.93 143.76 39.4 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 115.329 -2.272 . . . . 0.0 110.953 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' B' ' 49' ' ' GLN . 3.3 pm0 -87.07 130.46 34.48 Favored 'General case' 0 C--N 1.28 -2.451 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 173.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.464 ' HB2' HD13 ' B' ' 43' ' ' LEU . 15.6 mt -79.7 138.4 37.33 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 117.631 -1.176 . . . . 0.0 110.055 -175.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.664 ' O ' HD13 ' B' ' 23' ' ' ILE . 1.3 tm-20 -101.9 139.93 36.87 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 125.211 1.569 . . . . 0.0 109.976 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.798 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.7 OUTLIER -48.19 -42.01 28.69 Favored 'General case' 0 C--O 1.262 1.711 0 N-CA-C 120.813 3.634 . . . . 0.0 120.813 -175.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.32 -8.42 85.23 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 115.989 1.155 . . . . 0.0 115.989 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.578 ' O ' HD12 ' B' ' 23' ' ' ILE . 3.6 mmt85 -85.64 165.38 17.05 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.13 -1.806 . . . . 0.0 107.998 176.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 10.2 p -104.42 164.49 11.7 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.439 HD23 HG21 ' B' ' 61' ' ' ILE . 0.4 OUTLIER -61.06 -36.35 79.37 Favored 'General case' 0 C--O 1.199 -1.554 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 177.247 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.5 p -63.61 -29.89 71.07 Favored 'General case' 0 C--O 1.266 1.95 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.243 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.64 -39.07 70.38 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 122.506 1.146 . . . . 0.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -91.04 4.4 52.2 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.553 -1.213 . . . . 0.0 112.887 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.02 45.4 18.0 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 121.695 2.043 . . . . 0.0 111.242 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.439 HG21 HD23 ' B' ' 56' ' ' LEU . 74.3 mt -88.79 116.22 30.05 Favored 'Isoleucine or valine' 0 C--O 1.27 2.15 0 CA-C-O 115.045 -2.407 . . . . 0.0 106.273 175.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -103.33 169.57 8.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 126.088 2.117 . . . . 0.0 109.703 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.81 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 123.236 1.493 . . . . 0.0 109.26 -176.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.1 18.96 10.5 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 117.857 2.54 . . . . 0.0 117.857 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -71.06 159.55 34.52 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.604 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 0.6 OUTLIER -119.03 126.62 52.13 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 118.263 -0.875 . . . . 0.0 108.833 175.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.478 ' O ' ' HE1' ' B' ' 4' ' ' PHE . 10.1 mp -103.17 154.63 19.11 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 114.654 -2.593 . . . . 0.0 105.732 175.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.432 ' NE2' HG22 ' B' ' 70' ' ' VAL . 2.2 t60 -105.67 135.76 46.5 Favored 'General case' 0 C--N 1.282 -2.347 0 O-C-N 127.608 3.068 . . . . 0.0 105.71 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.07 115.81 30.83 Favored 'General case' 0 C--O 1.283 2.828 0 CA-C-O 117.617 -1.183 . . . . 0.0 111.491 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.432 HG22 ' NE2' ' B' ' 68' ' ' HIS . 91.2 t -108.15 139.91 28.59 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 103.495 -2.779 . . . . 0.0 103.495 175.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.826 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.37 0.37 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.119 0.485 . . . . 0.0 109.836 178.499 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.631 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.277 -2.574 0 CA-C-O 113.324 -3.227 . . . . 0.0 105.555 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mttt . . . . . 0 CA--C 1.51 -0.596 0 CA-C-O 121.64 0.734 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -89.09 137.86 31.94 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.552 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' C' ' 127' ' ' TYR . 2.9 mm? -70.2 -39.56 75.1 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.614 0.721 . . . . 0.0 111.881 172.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.4 136.14 21.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.423 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.31 148.07 34.32 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.512 165.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -161.08 155.22 22.77 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.245 0.966 . . . . 0.0 111.213 173.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.2 127.8 33.68 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.33 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.742 ' HB3' ' CG1' ' C' ' 47' ' ' VAL . . . -166.2 147.69 6.71 Favored 'General case' 0 C--O 1.251 1.135 0 CA-C-O 122.067 0.936 . . . . 0.0 110.045 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.95 164.83 25.19 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.13 -179.17 3.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 14.0 mtt -137.17 161.03 37.28 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -136.59 156.53 48.44 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.146 -1.422 . . . . 0.0 108.765 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.75 116.14 28.75 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.28 -116.09 8.67 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -113.91 14.46 18.52 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.332 -0.434 . . . . 0.0 109.944 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p -111.96 122.49 47.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.468 ' O ' HG13 ' C' ' 38' ' ' VAL . 7.4 p -76.13 120.02 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 17.9 m -124.05 119.38 26.58 Favored Pre-proline 0 C--O 1.244 0.815 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.141 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.99 134.85 59.05 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 117.879 -0.948 . . . . 0.0 111.872 173.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -85.62 132.13 34.22 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 172.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.91 -11.29 59.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.0 144.37 56.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -173.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 125.57 26.77 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 171.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.17 21.6 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.338 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -128.34 124.35 36.23 Favored 'General case' 0 N--CA 1.422 -1.841 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . 0.742 ' CG1' ' HB3' ' C' ' 28' ' ' ALA . 0.6 OUTLIER -90.94 137.52 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 164.639 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -151.97 157.78 42.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 122.067 0.937 . . . . 0.0 112.951 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 82.2 mt -118.79 131.06 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 113.455 -1.702 . . . . 0.0 108.417 174.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -134.02 137.69 44.89 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -100.21 122.13 42.53 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 170.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -84.09 171.18 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.204 0.526 . . . . 0.0 111.276 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.56 -10.46 59.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.7 7.4 15.0 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.255 -0.178 . . . . 0.0 110.99 171.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 73.91 -1.32 3.1 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.419 1.488 . . . . 0.0 114.647 -177.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 35.0 mt -74.95 149.97 39.2 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 119.197 -1.001 . . . . 0.0 113.007 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 mp -102.18 129.09 54.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.147 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 19.1 m80 -117.61 125.26 50.44 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . 0.502 ' CE1' HG13 ' C' ' 124' ' ' VAL . 0.2 OUTLIER -98.72 119.0 36.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.194 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 60.3 m -127.74 156.83 41.81 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -171.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . 0.652 ' NE1' HG12 ' C' ' 47' ' ' VAL . 1.9 m-90 -130.36 128.25 41.05 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.778 169.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -120.66 134.42 55.28 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.749 -176.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.32 115.35 13.74 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -32.47 74.02 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 76.6 p -72.51 -46.11 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -175.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.41 -20.58 21.64 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.54 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.65 2.66 61.03 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.63 -0.539 . . . . 0.0 113.686 -171.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.44 130.0 39.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.718 1.259 . . . . 0.0 113.195 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . 0.404 HG22 ' H ' ' C' ' 69' ' ' VAL . 1.0 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -94.54 -28.83 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.931 -171.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -121.99 135.55 54.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.838 0.828 . . . . 0.0 109.415 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -155.01 103.32 2.39 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 104.445 -2.428 . . . . 0.0 104.445 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.03 123.25 45.22 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.347 -174.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 6.7 mt -75.83 124.23 33.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.456 1.122 . . . . 0.0 111.684 168.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 46.0 mm -122.98 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.43 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.613 -174.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -101.24 158.95 30.81 Favored Pre-proline 0 C--O 1.242 0.671 0 O-C-N 124.338 1.024 . . . . 0.0 110.888 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.35 133.86 58.22 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.9 2.4 . . . . 0.0 111.353 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.6 6.79 5.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 116.639 2.089 . . . . 0.0 116.639 -175.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . 0.694 ' O ' ' HD2' ' C' ' 98' ' ' PHE . 3.4 m-20 -70.34 -33.67 71.76 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.032 0.833 . . . . 0.0 109.58 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 18.0 p -154.94 168.16 27.9 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 118.424 -1.31 . . . . 0.0 113.612 -173.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -133.37 139.34 46.75 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.494 -1.684 . . . . 0.0 106.998 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' C' ' 94' ' ' TYR . 4.9 t80 -106.8 124.25 49.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -148.54 156.47 42.48 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -67.83 142.81 56.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.392 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.15 98.3 2.79 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 171.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.06 -31.92 91.34 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 N-CA-C 117.717 2.16 . . . . 0.0 117.717 -167.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -91.05 8.51 35.08 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.968 -1.493 . . . . 0.0 112.217 -164.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.08 119.73 72.79 Favored Pre-proline 0 CA--C 1.514 -0.413 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -57.0 -19.86 34.36 Favored 'Trans proline' 0 C--N 1.347 0.484 0 O-C-N 122.929 0.963 . . . . 0.0 114.43 -173.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.51 -34.66 78.78 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.437 0.562 . . . . 0.0 110.069 177.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.52 13.04 64.94 Favored Glycine 0 CA--C 1.506 -0.491 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.546 -172.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -120.97 17.1 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.296 1.962 . . . . 0.0 116.296 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 73.3 t -96.98 133.39 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . 0.462 ' HB3' ' CE2' ' C' ' 82' ' ' PHE . 32.4 m-85 -125.02 151.74 45.19 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.479 1.737 . . . . 0.0 110.449 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -126.99 135.37 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.44 108.18 20.38 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 169.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -109.31 125.12 51.98 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -171.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.704 ' CD1' ' O ' ' C' ' 100' ' ' ALA . 9.1 t80 -84.71 115.64 22.8 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.141 0.9 . . . . 0.0 109.276 176.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . 0.606 ' O ' HD11 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.36 -25.17 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.371 -169.597 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . 0.704 ' O ' ' CD1' ' C' ' 98' ' ' PHE . . . -111.32 115.15 28.83 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.91 172.33 27.7 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 -172.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.32 8.98 33.4 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.058 -0.672 . . . . 0.0 110.497 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.69 129.21 38.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.897 -1.521 . . . . 0.0 110.593 -165.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.02 141.81 46.25 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.919 175.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.53 126.16 45.38 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 171.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -100.87 143.63 30.79 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 124.701 1.251 . . . . 0.0 110.259 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . 0.435 ' CZ ' ' CH2' ' C' ' 61' ' ' TRP . 9.1 m-85 -137.0 156.71 48.09 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.314 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.54 126.56 35.2 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.387 175.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.66 137.74 58.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.224 -174.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -118.83 3.96 11.55 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.574 -1.193 . . . . 0.0 110.268 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.25 135.86 93.78 Favored Pre-proline 0 C--O 1.266 1.947 0 CA-C-O 123.163 1.458 . . . . 0.0 108.622 172.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.29 -41.37 42.48 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.61 -1.127 . . . . 0.0 112.419 -174.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -96.03 146.92 24.23 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.159 0.504 . . . . 0.0 110.501 173.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.5 m -83.42 -9.36 59.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.136 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.5 -33.83 55.82 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.483 0.713 . . . . 0.0 112.799 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -103.18 5.79 37.95 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -56.8 -48.87 76.96 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.309 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -32.3 70.76 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.582 -173.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -44.13 80.28 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.901 0.381 . . . . 0.0 110.881 175.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -55.64 -45.78 77.57 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.02 -1.05 . . . . 0.0 112.288 173.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . 0.448 ' HG ' ' HD2' ' C' ' 94' ' ' TYR . 3.9 t -60.67 -43.07 98.09 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.619 0.723 . . . . 0.0 110.291 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.89 -43.46 98.81 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.096 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -64.33 -42.27 96.37 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . 0.502 HG13 ' CE1' ' C' ' 59' ' ' PHE . 3.6 t -52.23 -51.9 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.452 175.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . 0.534 ' HA ' HD23 ' C' ' 128' ' ' LEU . 30.7 t30 -60.34 -39.54 87.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -65.25 -46.1 81.91 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.381 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . 0.499 ' CE2' HD12 ' C' ' 23' ' ' LEU . 80.2 m-85 -78.92 -24.56 43.97 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.537 -0.865 . . . . 0.0 112.386 -174.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.05 -36.07 41.58 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.769 -0.773 . . . . 0.0 112.284 174.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . 0.472 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 56.5 t30 -110.77 -11.04 14.43 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -168.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -141.2 71.79 27.3 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 169.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.89 171.8 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.578 1.518 . . . . 0.0 111.589 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo . . . . . 0 C--N 1.29 -2.514 0 C-N-CA 122.469 2.112 . . . . 0.0 111.641 179.749 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 mmm . . . . . 0 CA--C 1.549 0.939 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.19 138.15 31.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 126.834 2.584 . . . . 0.0 108.912 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pt -131.21 163.01 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 173.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.98 140.23 49.47 Favored 'General case' 0 N--CA 1.513 2.693 1 O-C-N 130.459 4.849 . . . . 0.0 108.748 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.09 114.22 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.583 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 127.51 41.27 Favored 'General case' 0 N--CA 1.506 2.345 1 O-C-N 129.322 4.139 . . . . 0.0 107.968 -178.141 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.3 p -99.56 170.83 8.32 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.352 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -6.92 49.42 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 124.132 0.895 . . . . 0.0 112.647 -177.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.48 14.88 30.6 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 115.773 -2.371 . . . . 0.0 111.995 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.8 80.09 Favored Glycine 0 C--N 1.297 -1.607 0 O-C-N 120.262 -1.524 . . . . 0.0 116.071 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.55 138.08 34.67 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 175.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.8 p -119.98 131.68 55.25 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 126.543 2.402 . . . . 0.0 105.986 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mm -109.56 141.93 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 127.626 3.079 . . . . 0.0 108.871 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 t -101.36 139.71 36.65 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.104 -1.839 . . . . 0.0 108.199 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.39 154.12 44.03 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 115.332 -2.271 . . . . 0.0 108.323 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -111.95 121.04 43.91 Favored 'General case' 0 N--CA 1.499 1.982 1 O-C-N 129.339 4.15 . . . . 0.0 103.672 173.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -139.0 170.65 15.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.38 0 O-C-N 127.493 2.996 . . . . 0.0 111.152 -177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -119.98 144.59 37.85 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 112.309 -2.223 . . . . 0.0 106.309 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -24.4 40.12 Favored 'Trans proline' 0 C--N 1.321 -0.897 0 C-N-CA 122.489 2.126 . . . . 0.0 111.942 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -8.11 59.15 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.924 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.04 148.5 47.5 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 117.402 -1.719 . . . . 0.0 109.802 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.74 160.49 21.26 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 175.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.227 HG21 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.48 -37.05 76.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 O-C-N 127.184 2.803 . . . . 0.0 110.291 175.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -40.08 78.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.288 -0.883 . . . . 0.0 110.824 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.35 -41.85 80.07 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 121.86 -0.525 . . . . 0.0 110.982 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.2 t -58.24 -46.43 88.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 124.462 1.101 . . . . 0.0 109.15 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -60.81 -38.08 84.16 Favored 'General case' 0 C--O 1.259 1.553 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.689 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.0 87.16 Favored 'General case' 0 C--O 1.277 2.53 0 CA-C-N 118.129 0.422 . . . . 0.0 111.183 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -37.59 87.99 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-O 123.088 1.423 . . . . 0.0 110.669 176.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.455 HG21 ' OE1' ' A' ' 41' ' ' GLN . 2.9 mt -70.03 -39.48 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -48.72 78.74 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 125.551 2.596 . . . . 0.0 109.081 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.18 -41.69 65.48 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 113.405 -1.725 . . . . 0.0 111.989 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.319 19.2 tttm -93.61 -24.31 17.97 Favored 'General case' 0 C--O 1.28 2.708 0 N-CA-C 117.188 2.292 . . . . 0.0 117.188 -175.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.34 -6.58 8.21 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 123.064 2.666 . . . . 0.0 114.194 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.65 89.97 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.882 2.313 . . . . 0.0 118.882 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.493 HG21 HE21 ' A' ' 41' ' ' GLN . 27.2 mm -79.73 124.81 83.33 Favored Pre-proline 0 C--O 1.244 0.793 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.978 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.2 Cg_exo -57.02 136.78 78.71 Favored 'Trans proline' 0 C--O 1.258 1.495 0 C-N-CA 123.369 2.713 . . . . 0.0 110.779 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.6 Cg_exo -57.08 -32.05 92.12 Favored 'Trans proline' 0 C--O 1.262 1.702 0 O-C-N 123.05 1.026 . . . . 0.0 113.568 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.47 -15.28 63.49 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.9 -1.75 . . . . 0.0 112.163 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.0 -10.3 28.92 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.615 -1.303 . . . . 0.0 112.001 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.493 HE21 HG21 ' A' ' 36' ' ' ILE . 2.1 mm-40 -84.85 129.47 34.81 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 124.398 2.047 . . . . 0.0 115.777 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.92 116.08 24.45 Favored 'General case' 0 C--O 1.299 3.659 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 171.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mp -103.48 130.24 50.8 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 119.506 1.048 . . . . 0.0 109.974 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.1 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 125.145 1.528 . . . . 0.0 111.868 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -144.39 129.47 18.58 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.19 19.69 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.324 -2.216 . . . . 0.0 110.675 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.421 ' HA2' ' OD2' ' C' ' 79' ' ' ASP . . . 61.59 21.82 60.88 Favored Glycine 0 N--CA 1.431 -1.662 0 C-N-CA 128.608 3.004 . . . . 0.0 117.497 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -115.14 142.81 46.14 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.9 130.36 34.57 Favored 'General case' 0 C--O 1.257 1.497 0 N-CA-C 103.73 -2.693 . . . . 0.0 103.73 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 tp -79.6 138.15 37.35 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.153 -175.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 1.227 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -101.81 140.15 36.49 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 125.042 1.464 . . . . 0.0 109.977 -177.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.827 ' O ' HG23 ' A' ' 23' ' ' ILE . 72.8 m-20 -47.98 -42.59 28.19 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 120.72 3.6 . . . . 0.0 120.72 -175.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.56 -8.85 85.57 Favored Glycine 0 CA--C 1.489 -1.561 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.801 ' O ' HG22 ' A' ' 23' ' ' ILE . 6.4 mmm-85 -85.36 165.44 17.25 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 119.792 -2.004 . . . . 0.0 108.0 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 0.6 OUTLIER -104.64 164.83 11.48 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 177.035 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.56 -36.1 79.67 Favored 'General case' 0 C--O 1.203 -1.349 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -29.43 70.55 Favored 'General case' 0 C--O 1.269 2.086 0 C-N-CA 117.313 -1.755 . . . . 0.0 112.157 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -39.7 70.7 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 122.448 1.118 . . . . 0.0 110.694 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -90.73 4.69 50.84 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.032 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.12 45.14 18.11 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 121.589 1.995 . . . . 0.0 111.182 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -88.68 116.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.266 1.954 0 CA-C-O 115.227 -2.321 . . . . 0.0 106.282 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.49 169.74 8.35 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 125.999 2.062 . . . . 0.0 109.37 -176.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.01 142.88 28.42 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 123.239 1.495 . . . . 0.0 109.096 -176.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.49 ' O ' HD22 ' B' ' 8' ' ' LEU . 1.8 mp0 67.14 19.16 10.44 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 117.916 2.561 . . . . 0.0 117.916 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -71.18 159.51 34.52 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.16 126.72 52.27 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-O 118.173 -0.918 . . . . 0.0 108.805 175.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mt -103.07 154.52 19.18 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 114.839 -2.505 . . . . 0.0 105.657 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -105.63 135.75 46.48 Favored 'General case' 0 C--N 1.288 -2.067 0 O-C-N 127.352 2.907 . . . . 0.0 105.826 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -106.96 115.78 30.78 Favored 'General case' 0 C--O 1.285 2.966 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.405 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.01 139.84 28.65 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.921 0 N-CA-C 103.612 -2.736 . . . . 0.0 103.612 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.0 138.9 32.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.291 0.567 . . . . 0.0 109.898 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 . . . . . 0 C--N 1.278 -2.516 0 CA-C-O 113.176 -3.297 . . . . 0.0 105.531 178.505 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.92 138.48 31.57 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 127.066 2.729 . . . . 0.0 108.776 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.429 ' CD1' HG23 ' B' ' 61' ' ' ILE . 0.8 OUTLIER -131.16 163.02 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 CA-C-O 115.734 -2.079 . . . . 0.0 105.985 173.122 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -115.85 140.17 49.49 Favored 'General case' 0 N--CA 1.514 2.766 1 O-C-N 130.644 4.965 . . . . 0.0 108.615 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.99 114.05 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 113.446 -3.168 . . . . 0.0 105.786 175.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.05 127.61 41.24 Favored 'General case' 0 N--CA 1.503 2.192 1 O-C-N 129.184 4.053 . . . . 0.0 108.153 -178.134 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.664 HG22 ' O ' ' B' ' 11' ' ' LYS . 9.8 t -99.63 170.86 8.28 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.49 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -73.32 -7.08 50.06 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 124.122 0.889 . . . . 0.0 112.839 -178.243 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.576 ' H ' HG23 ' B' ' 7' ' ' THR . 0.6 OUTLIER -101.13 14.81 30.78 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 115.63 -2.428 . . . . 0.0 112.033 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.65 80.15 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.241 -1.537 . . . . 0.0 116.114 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.664 ' O ' HG22 ' B' ' 7' ' ' THR . 0.0 OUTLIER -96.16 137.82 34.67 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 174.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 70.0 p -119.93 131.87 55.34 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 126.452 2.345 . . . . 0.0 106.154 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.43 141.81 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 127.721 3.138 . . . . 0.0 109.121 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.3 m -101.23 139.83 36.36 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 117.014 -1.874 . . . . 0.0 108.371 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.52 154.1 44.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.512 -2.185 . . . . 0.0 108.351 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.82 121.16 44.29 Favored 'General case' 0 N--CA 1.496 1.846 1 O-C-N 129.259 4.1 . . . . 0.0 103.575 174.07 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.09 170.6 15.84 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 O-C-N 127.761 3.163 . . . . 0.0 111.171 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -120.07 144.68 38.22 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 112.139 -2.3 . . . . 0.0 106.298 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -54.87 -24.91 40.92 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 C-N-CA 122.696 2.264 . . . . 0.0 111.49 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.6 t -79.77 -8.17 59.09 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.892 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.06 148.53 47.44 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 117.247 -1.781 . . . . 0.0 109.782 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.678 ' O ' HG13 ' B' ' 26' ' ' VAL . 2.5 p -83.89 160.58 21.09 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.67 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.5 mp -61.4 -36.8 75.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 126.964 2.665 . . . . 0.0 110.423 175.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -42.85 77.87 Favored 'General case' 0 C--O 1.252 1.197 0 O-C-N 120.463 -1.398 . . . . 0.0 111.0 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -44.56 90.91 Favored 'General case' 0 C--O 1.251 1.14 0 C-N-CA 124.172 0.989 . . . . 0.0 111.455 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.678 HG13 ' O ' ' B' ' 22' ' ' THR . 0.9 OUTLIER -58.6 -46.28 90.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.877 1.36 . . . . 0.0 109.004 178.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 22.3 mttm -60.71 -37.91 83.29 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.934 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.37 -38.02 86.63 Favored 'General case' 0 C--O 1.279 2.655 0 O-C-N 123.367 0.417 . . . . 0.0 111.307 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -64.06 -37.38 87.21 Favored 'General case' 0 C--O 1.253 1.289 0 O-C-N 120.39 -1.444 . . . . 0.0 110.833 175.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -39.74 78.3 Favored 'Isoleucine or valine' 0 C--O 1.253 1.273 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -48.91 78.3 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 125.538 2.589 . . . . 0.0 108.991 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.3 -41.83 66.03 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.882 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.8 OUTLIER -93.34 -24.33 18.15 Favored 'General case' 0 C--O 1.28 2.674 0 N-CA-C 117.272 2.323 . . . . 0.0 117.272 -175.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -123.64 -6.29 8.06 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 122.926 2.603 . . . . 0.0 113.851 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.81 5.67 89.9 Favored Glycine 0 CA--C 1.476 -2.379 0 N-CA-C 118.814 2.286 . . . . 0.0 118.814 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.5 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 13.3 mt -79.84 125.02 83.0 Favored Pre-proline 0 C--O 1.242 0.708 0 C-N-CA 118.698 -1.201 . . . . 0.0 111.102 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 95.4 Cg_exo -57.07 137.0 79.98 Favored 'Trans proline' 0 C--O 1.256 1.399 0 C-N-CA 122.921 2.414 . . . . 0.0 110.908 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.3 Cg_exo -57.31 -32.15 92.96 Favored 'Trans proline' 0 C--O 1.262 1.688 0 O-C-N 123.136 1.072 . . . . 0.0 113.32 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -68.29 -15.56 63.61 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 119.926 -1.734 . . . . 0.0 112.328 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.543 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.53 -10.57 29.29 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.538 -1.351 . . . . 0.0 112.207 178.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.401 ' NE2' HD13 ' B' ' 43' ' ' LEU . 44.2 tt0 -84.92 129.65 34.77 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 124.289 1.995 . . . . 0.0 115.711 -177.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -121.21 116.04 24.17 Favored 'General case' 0 C--O 1.298 3.655 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.401 HD13 ' NE2' ' B' ' 41' ' ' GLN . 6.2 tp -103.48 130.33 50.83 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.459 1.027 . . . . 0.0 110.054 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.599 HD11 ' O ' ' C' ' 99' ' ' LYS . 2.6 mt -122.07 131.61 72.78 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 125.194 1.559 . . . . 0.0 111.941 -177.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -144.3 129.77 18.97 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.29 45.84 20.18 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 112.001 -2.363 . . . . 0.0 110.712 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.92 20.22 59.73 Favored Glycine 0 C--N 1.299 -1.526 0 C-N-CA 128.256 2.836 . . . . 0.0 117.316 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -109.86 143.82 39.21 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 115.407 -2.235 . . . . 0.0 110.945 174.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.595 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.4 OUTLIER -87.22 130.34 34.6 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 103.995 -2.594 . . . . 0.0 103.995 173.338 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.63 138.48 37.42 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.086 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.67 ' O ' HD13 ' B' ' 23' ' ' ILE . 1.9 tp10 -101.93 140.03 36.77 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 125.203 1.564 . . . . 0.0 109.951 -177.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -48.31 -42.08 30.03 Favored 'General case' 0 C--O 1.263 1.798 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.27 -8.45 85.28 Favored Glycine 0 CA--C 1.493 -1.332 0 N-CA-C 116.0 1.16 . . . . 0.0 116.0 -177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.554 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -85.63 165.29 17.14 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.126 -1.808 . . . . 0.0 108.034 176.337 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 11.9 t -104.35 164.49 11.7 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.04 -36.44 79.57 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . 0.431 ' N ' HG23 ' B' ' 55' ' ' THR . 0.9 OUTLIER -63.62 -29.66 70.87 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.27 -1.772 . . . . 0.0 112.323 -179.497 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -39.15 70.61 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 122.553 1.168 . . . . 0.0 110.761 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -91.04 4.56 51.78 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 117.521 -1.228 . . . . 0.0 112.883 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.86 45.35 18.58 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 121.703 2.047 . . . . 0.0 111.364 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.471 HG22 ' O ' ' B' ' 61' ' ' ILE . 0.1 OUTLIER -88.76 116.21 30.01 Favored 'Isoleucine or valine' 0 C--O 1.272 2.243 0 CA-C-O 115.065 -2.397 . . . . 0.0 106.359 175.819 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.29 169.52 8.5 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 126.072 2.107 . . . . 0.0 109.765 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 142.99 26.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 123.109 1.433 . . . . 0.0 109.234 -176.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 66.92 19.09 10.65 Favored 'General case' 0 C--O 1.257 1.48 0 N-CA-C 117.867 2.543 . . . . 0.0 117.867 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.17 159.57 34.44 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.98 126.62 52.16 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 118.159 -0.924 . . . . 0.0 108.793 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.16 154.56 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.723 -2.56 . . . . 0.0 105.701 175.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -105.62 135.84 46.3 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 127.57 3.044 . . . . 0.0 105.646 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.1 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.85 0 CA-C-O 117.65 -1.166 . . . . 0.0 111.39 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.406 ' HA ' HD21 ' B' ' 8' ' ' LEU . 88.7 t -108.18 139.92 28.61 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 103.452 -2.795 . . . . 0.0 103.452 175.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.585 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.5 tt -96.06 -83.39 0.37 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.081 0.467 . . . . 0.0 109.943 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.517 ' CB ' ' HA2' ' C' ' 101' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.277 -2.55 0 CA-C-O 113.366 -3.207 . . . . 0.0 105.431 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.604 0.716 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -89.01 137.87 31.92 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.591 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' C' ' 127' ' ' TYR . 3.2 mt -70.2 -39.57 75.09 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.699 0.761 . . . . 0.0 111.881 172.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -144.34 136.04 21.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 125.283 1.433 . . . . 0.0 107.484 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.33 148.05 34.27 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 118.931 0.787 . . . . 0.0 110.638 165.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -161.01 155.15 22.8 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.271 0.982 . . . . 0.0 111.21 173.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -72.18 127.84 33.8 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.32 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.19 147.69 6.72 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.077 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.83 25.12 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 108.279 -1.928 . . . . 0.0 108.279 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.11 -179.19 3.78 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . 0.731 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.2 mpt? -137.15 161.06 37.19 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 174.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 45.2 m -136.68 156.52 48.42 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.101 -1.439 . . . . 0.0 108.755 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.76 116.15 28.76 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.35 115.84 29.38 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.09 8.67 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.61 18.46 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.348 -0.426 . . . . 0.0 110.018 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.8 m -112.01 122.49 47.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -172.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 47.4 t -76.11 120.05 25.35 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.14 119.34 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.207 -173.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . 0.731 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 32.3 Cg_exo -59.85 134.8 59.3 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.892 -0.939 . . . . 0.0 111.873 173.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -85.71 132.18 34.19 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 172.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.19 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -172.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.1 144.45 56.09 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -173.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -68.1 125.52 26.63 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 171.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.39 171.28 21.58 Favored Glycine 0 C--N 1.318 -0.462 0 CA-C-O 123.223 1.457 . . . . 0.0 115.35 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -128.39 124.39 36.22 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 m -90.92 137.54 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 164.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -151.95 157.78 42.23 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.056 0.932 . . . . 0.0 112.944 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 10.3 mt -118.82 131.04 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.305 174.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -133.99 137.65 44.92 Favored 'General case' 0 CA--C 1.493 -1.23 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.24 122.16 42.61 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 170.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.5 p -84.11 171.08 13.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.267 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -71.53 -10.42 59.74 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.638 -0.825 . . . . 0.0 113.195 -170.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 3.6 m 73.87 -1.35 3.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.386 1.474 . . . . 0.0 114.717 -177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.94 149.82 39.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 119.21 -0.996 . . . . 0.0 113.112 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.415 HD13 ' HG3' ' C' ' 131' ' ' PRO . 0.0 OUTLIER -102.1 129.14 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.223 -177.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.65 125.33 50.55 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -176.478 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -98.79 119.05 36.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 26.6 m -127.72 156.78 41.86 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -171.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -130.43 128.26 40.95 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.615 -1.63 . . . . 0.0 108.734 169.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -120.66 134.3 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.027 -1.442 . . . . 0.0 109.745 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.22 115.33 13.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 173.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -64.0 -32.43 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 40.9 p -72.51 -46.14 56.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -175.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 10.4 t -91.43 -20.57 21.64 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.52 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 2.61 60.87 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 119.755 -0.469 . . . . 0.0 113.771 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.46 129.97 39.57 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.645 1.222 . . . . 0.0 113.129 178.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.18 109.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -94.54 -28.82 15.22 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.946 -171.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.99 135.53 54.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.837 0.827 . . . . 0.0 109.407 177.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.97 103.4 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.08 123.17 44.97 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.276 -174.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -75.73 124.29 33.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 122.336 1.065 . . . . 0.0 111.695 168.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.699 HD12 ' SG ' ' C' ' 80' ' ' CYS . 0.5 OUTLIER -123.03 130.36 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.43 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.613 -174.457 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.26 158.94 30.84 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.317 1.01 . . . . 0.0 110.885 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -54.33 133.92 58.41 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.864 2.376 . . . . 0.0 111.31 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.81 5.89 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . 0.498 ' C ' ' SG ' ' C' ' 80' ' ' CYS . 24.1 t0 -70.39 -33.57 71.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.986 0.812 . . . . 0.0 109.623 176.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.699 ' SG ' HD12 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -154.91 168.14 27.96 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 118.431 -1.308 . . . . 0.0 113.665 -173.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -133.36 139.36 46.77 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 113.478 -1.692 . . . . 0.0 107.008 -178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -106.75 124.16 49.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -148.54 156.44 42.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -67.75 142.86 56.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.438 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 72.4 t -94.29 98.37 2.9 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -61.0 -31.96 91.83 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 N-CA-C 117.788 2.188 . . . . 0.0 117.788 -167.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.12 8.63 34.66 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.198 -164.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 4.6 t -85.06 119.62 72.7 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -56.96 -19.87 34.16 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.369 -173.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.7 m -65.57 -34.58 78.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.457 0.571 . . . . 0.0 110.06 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.48 12.97 64.73 Favored Glycine 0 CA--C 1.505 -0.568 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.516 -172.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -120.98 17.1 11.73 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 93.5 t -97.06 133.48 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -125.07 151.78 45.21 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.46 1.725 . . . . 0.0 110.437 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.02 135.39 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 32.1 tp -95.48 108.16 20.36 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -109.27 125.16 52.0 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -171.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' C' ' 98' ' ' PHE . 8.9 m-30 -84.79 115.6 22.81 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.058 0.849 . . . . 0.0 109.202 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . 0.599 ' O ' HD11 ' B' ' 44' ' ' ILE . 4.9 mtmt -63.36 -25.25 68.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.371 -169.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.19 115.2 28.98 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . 0.517 ' HA2' ' CB ' ' B' ' 72' ' ' ARG . . . 101.89 172.43 27.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -172.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 41.2 t -91.43 9.0 33.6 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.054 -0.674 . . . . 0.0 110.525 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.66 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.72 46.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.967 175.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -124.44 126.14 45.43 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . 0.42 ' CB ' ' SD ' ' C' ' 31' ' ' MET . 39.3 m-85 -100.8 143.66 30.69 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 124.771 1.294 . . . . 0.0 110.302 -177.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -137.14 156.65 48.1 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.263 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -131.42 126.53 35.35 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.408 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.6 137.75 58.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.312 -174.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.85 3.93 11.54 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.274 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 135.94 93.86 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.188 1.47 . . . . 0.0 108.623 172.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.27 -41.4 42.44 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.611 -1.126 . . . . 0.0 112.377 -174.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -96.08 146.93 24.23 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.159 0.504 . . . . 0.0 110.487 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 14.8 t -83.43 -9.3 59.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.154 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.57 -33.79 56.02 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 123.389 0.676 . . . . 0.0 112.79 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -103.27 5.92 37.78 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -174.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -56.94 -48.81 77.43 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.256 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -69.83 -32.24 70.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.56 -173.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -67.27 -44.06 80.3 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.904 0.383 . . . . 0.0 110.96 175.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -55.54 -45.85 77.18 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.02 -1.05 . . . . 0.0 112.326 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 7.1 t -60.73 -43.03 98.39 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.65 0.738 . . . . 0.0 110.232 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -43.53 98.65 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.115 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -64.21 -42.29 96.67 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 82.9 t -52.27 -51.85 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.478 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -60.41 -39.51 87.63 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -65.29 -46.05 81.96 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.446 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . 0.501 ' CD2' HD22 ' C' ' 23' ' ' LEU . 37.0 m-85 -79.0 -24.43 43.73 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 119.435 -0.906 . . . . 0.0 112.39 -174.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.448 ' HG ' HG21 ' C' ' 75' ' ' ILE . 2.0 mp -79.11 -36.03 41.31 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.731 -0.788 . . . . 0.0 112.274 174.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.76 -11.06 14.43 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -168.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -141.16 71.82 27.5 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 169.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . 0.415 ' HG3' HD13 ' C' ' 57' ' ' ILE . 80.5 Cg_exo -44.61 163.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.342 0 C-N-CA 121.639 1.559 . . . . 0.0 111.642 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 C--N 1.29 -2.513 0 C-N-CA 122.471 2.114 . . . . 0.0 111.534 -179.719 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mmm . . . . . 0 CA--C 1.549 0.928 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -91.07 138.18 31.8 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 126.908 2.63 . . . . 0.0 108.86 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 pt -131.25 163.06 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 1.017 ' CE1' ' HB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -116.0 140.23 49.47 Favored 'General case' 0 N--CA 1.512 2.67 1 O-C-N 130.497 4.873 . . . . 0.0 108.784 179.618 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.715 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -118.02 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.624 175.738 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.794 ' CB ' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -95.23 127.52 41.34 Favored 'General case' 0 N--CA 1.506 2.368 1 O-C-N 129.334 4.146 . . . . 0.0 107.951 -178.169 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 11' ' ' LYS . 10.7 t -99.56 170.78 8.36 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.34 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.9 mt -73.33 -7.07 50.03 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.129 0.893 . . . . 0.0 112.662 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.575 ' H ' HG23 ' A' ' 7' ' ' THR . 0.6 OUTLIER -101.51 15.12 29.89 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 115.715 -2.394 . . . . 0.0 112.006 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.67 80.23 Favored Glycine 0 C--N 1.297 -1.638 0 O-C-N 120.247 -1.533 . . . . 0.0 116.135 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.644 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.45 138.08 34.57 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 175.045 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 1.017 ' HB ' ' CE1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -119.9 131.6 55.28 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 126.696 2.497 . . . . 0.0 105.929 176.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.52 141.97 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 127.61 3.069 . . . . 0.0 108.898 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.44 139.71 36.73 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.163 -1.815 . . . . 0.0 108.189 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.47 154.05 44.25 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.291 -179.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -111.83 121.08 44.09 Favored 'General case' 0 N--CA 1.5 2.053 1 O-C-N 129.261 4.1 . . . . 0.0 103.638 173.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.97 170.61 15.96 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 O-C-N 127.663 3.102 . . . . 0.0 111.161 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -119.96 144.54 37.71 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.334 -2.212 . . . . 0.0 106.322 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -55.03 -24.31 39.41 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 122.513 2.142 . . . . 0.0 111.952 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.6 p -80.06 -8.07 59.19 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.868 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.05 148.37 47.61 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 117.471 -1.692 . . . . 0.0 109.774 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -83.74 160.56 21.24 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.6 mp -61.55 -37.06 76.97 Favored 'Isoleucine or valine' 0 C--O 1.245 0.855 0 O-C-N 127.161 2.788 . . . . 0.0 110.209 175.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -40.26 78.22 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.368 -0.833 . . . . 0.0 110.736 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.26 -41.95 80.34 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 121.948 -0.47 . . . . 0.0 110.958 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.14 -46.37 88.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -60.91 -37.92 83.95 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.671 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.03 87.05 Favored 'General case' 0 C--O 1.277 2.516 0 CA-C-N 118.176 0.443 . . . . 0.0 111.184 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -37.57 87.91 Favored 'General case' 0 C--O 1.255 1.345 0 CA-C-O 123.063 1.411 . . . . 0.0 110.685 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 mt -69.9 -39.54 77.73 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -48.68 78.94 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 125.553 2.597 . . . . 0.0 109.137 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -41.72 66.21 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 113.383 -1.735 . . . . 0.0 111.857 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -93.52 -24.33 18.02 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.253 2.316 . . . . 0.0 117.253 -175.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -123.37 -6.42 8.21 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.041 2.655 . . . . 0.0 114.259 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.59 90.01 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.908 2.323 . . . . 0.0 118.908 176.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.6 mt -79.82 124.79 83.19 Favored Pre-proline 0 C--O 1.244 0.808 0 C-N-CA 118.791 -1.163 . . . . 0.0 110.916 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 81.4 Cg_exo -57.02 136.9 79.44 Favored 'Trans proline' 0 C--O 1.258 1.495 0 C-N-CA 123.311 2.674 . . . . 0.0 110.737 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.4 Cg_exo -57.15 -31.99 92.11 Favored 'Trans proline' 0 C--O 1.261 1.648 0 O-C-N 123.0 1.0 . . . . 0.0 113.666 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.51 -15.31 63.5 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 119.904 -1.747 . . . . 0.0 112.228 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -95.96 -10.18 29.29 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.704 -1.248 . . . . 0.0 112.079 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -84.96 129.65 34.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 124.454 2.073 . . . . 0.0 115.673 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.03 116.03 24.27 Favored 'General case' 0 C--O 1.3 3.755 0 N-CA-C 104.976 -2.231 . . . . 0.0 104.976 171.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.51 130.14 50.83 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 119.61 1.096 . . . . 0.0 109.96 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -121.93 131.77 72.39 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 125.068 1.48 . . . . 0.0 112.011 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -144.31 129.58 18.77 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 46.12 19.74 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.202 -2.272 . . . . 0.0 110.785 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.57 21.73 60.74 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.56 2.981 . . . . 0.0 117.583 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -115.13 142.75 46.23 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -85.8 130.34 34.58 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 103.798 -2.667 . . . . 0.0 103.798 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.62 138.08 37.31 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.151 -175.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.521 ' O ' HD13 ' A' ' 23' ' ' ILE . 1.4 mp0 -101.66 140.1 36.41 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 125.139 1.524 . . . . 0.0 109.969 -177.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.97 -42.5 27.82 Favored 'General case' 0 C--O 1.264 1.855 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.8 85.48 Favored Glycine 0 CA--C 1.49 -1.492 0 N-CA-C 116.139 1.215 . . . . 0.0 116.139 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.749 ' O ' HD12 ' A' ' 23' ' ' ILE . 42.8 mtt180 -85.37 165.36 17.3 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 119.786 -2.008 . . . . 0.0 108.078 176.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.8 t -104.57 164.84 11.46 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.67 -35.91 79.33 Favored 'General case' 0 C--O 1.202 -1.395 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.425 ' N ' HG23 ' A' ' 55' ' ' THR . 0.2 OUTLIER -64.28 -29.39 70.48 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 117.228 -1.789 . . . . 0.0 112.19 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -55.5 -39.59 70.64 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 122.412 1.101 . . . . 0.0 110.681 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -90.8 4.71 50.94 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.943 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 58.1 45.22 18.04 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 121.703 2.047 . . . . 0.0 111.173 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mt -88.76 116.55 30.6 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.233 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -103.54 169.75 8.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 126.041 2.088 . . . . 0.0 109.366 -176.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.98 142.94 28.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 123.277 1.513 . . . . 0.0 109.097 -176.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.671 ' O ' HD22 ' B' ' 8' ' ' LEU . 4.3 mt-10 67.04 19.17 10.55 Favored 'General case' 0 C--O 1.255 1.383 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -71.12 159.53 34.53 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.4 t -119.23 126.72 52.2 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 118.191 -0.909 . . . . 0.0 108.8 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.09 154.61 19.1 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.707 -2.568 . . . . 0.0 105.715 175.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -105.69 135.62 46.77 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 127.404 2.94 . . . . 0.0 105.887 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tp -106.83 115.75 30.73 Favored 'General case' 0 C--O 1.285 2.953 0 CA-C-O 117.599 -1.191 . . . . 0.0 111.446 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.7 t -108.06 139.92 28.41 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mp -96.14 138.84 33.18 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.256 0.551 . . . . 0.0 109.807 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 . . . . . 0 C--N 1.279 -2.487 0 CA-C-O 113.176 -3.297 . . . . 0.0 105.534 178.663 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mtp . . . . . 0 CA--C 1.548 0.904 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.04 138.46 31.58 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 127.137 2.773 . . . . 0.0 108.774 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.13 163.04 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 CA-C-O 115.833 -2.032 . . . . 0.0 105.828 173.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 1.255 ' HD2' ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -115.89 140.21 49.46 Favored 'General case' 0 N--CA 1.515 2.799 1 O-C-N 130.68 4.988 . . . . 0.0 108.65 179.696 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.49 ' N ' ' CD2' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -117.94 113.99 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-O 113.306 -3.235 . . . . 0.0 105.808 175.517 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.847 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.3 OUTLIER -95.08 127.58 41.25 Favored 'General case' 0 N--CA 1.501 2.103 1 O-C-N 129.27 4.106 . . . . 0.0 108.176 -178.073 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 27.9 p -99.5 170.81 8.35 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.281 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.671 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -73.37 -7.06 50.03 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 124.001 0.813 . . . . 0.0 112.858 -178.293 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.16 14.73 31.02 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 115.63 -2.428 . . . . 0.0 111.972 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.87 79.98 Favored Glycine 0 C--N 1.296 -1.683 0 O-C-N 120.16 -1.588 . . . . 0.0 116.123 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 137.95 34.63 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 174.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.1 p -120.01 132.02 55.33 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 126.425 2.328 . . . . 0.0 106.157 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.524 HD11 ' OE1' ' B' ' 34' ' ' GLU . 1.6 mp -109.56 141.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 127.723 3.139 . . . . 0.0 109.049 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.18 139.83 36.32 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 117.027 -1.869 . . . . 0.0 108.382 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -126.48 154.08 44.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 115.607 -2.14 . . . . 0.0 108.314 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -111.82 121.22 44.47 Favored 'General case' 0 N--CA 1.497 1.898 1 O-C-N 129.254 4.096 . . . . 0.0 103.527 174.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.05 170.61 15.87 Favored 'Isoleucine or valine' 0 C--O 1.252 1.23 0 O-C-N 127.867 3.23 . . . . 0.0 111.234 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -120.15 144.66 38.31 Favored Pre-proline 0 C--N 1.314 -0.954 0 CA-C-N 112.054 -2.339 . . . . 0.0 106.244 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -54.81 -24.83 40.06 Favored 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 122.758 2.305 . . . . 0.0 111.502 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.1 t -79.85 -8.27 59.19 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 121.164 -0.96 . . . . 0.0 110.904 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.98 148.54 47.55 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 117.307 -1.757 . . . . 0.0 109.762 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.676 ' O ' HG13 ' B' ' 26' ' ' VAL . 2.7 p -83.89 160.43 21.12 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 175.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.6 ' O ' HG22 ' B' ' 26' ' ' VAL . 22.2 mm -61.33 -36.86 75.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 126.929 2.643 . . . . 0.0 110.428 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.773 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.06 -42.94 77.42 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 120.393 -1.442 . . . . 0.0 111.008 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -44.58 90.76 Favored 'General case' 0 C--O 1.25 1.108 0 C-N-CA 124.322 1.049 . . . . 0.0 111.41 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.676 HG13 ' O ' ' B' ' 22' ' ' THR . 0.9 OUTLIER -58.54 -46.33 89.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.873 1.358 . . . . 0.0 108.971 178.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.407 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 9.9 mtmm -60.75 -37.98 83.64 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-O 118.778 -0.629 . . . . 0.0 110.786 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.88 86.39 Favored 'General case' 0 C--O 1.279 2.628 0 O-C-N 123.483 0.49 . . . . 0.0 111.448 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -63.98 -37.49 87.6 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 120.417 -1.427 . . . . 0.0 110.878 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -39.74 78.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.337 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -62.01 -48.74 78.97 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 125.448 2.547 . . . . 0.0 109.026 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.45 -41.78 66.46 Favored 'General case' 0 C--O 1.258 1.52 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.812 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 0.0 OUTLIER -93.47 -24.29 18.07 Favored 'General case' 0 C--O 1.281 2.727 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -175.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.524 ' OE1' HD11 ' B' ' 13' ' ' ILE . 0.7 OUTLIER -123.68 -6.33 8.03 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 122.996 2.635 . . . . 0.0 113.791 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.64 90.01 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.726 2.25 . . . . 0.0 118.726 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.476 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 1.6 mt -80.01 125.08 82.55 Favored Pre-proline 0 C--O 1.242 0.71 0 C-N-CA 118.619 -1.232 . . . . 0.0 111.052 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 84.4 Cg_exo -57.09 137.05 80.17 Favored 'Trans proline' 0 C--O 1.255 1.365 0 C-N-CA 122.937 2.425 . . . . 0.0 110.886 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -57.27 -32.16 92.9 Favored 'Trans proline' 0 C--O 1.261 1.644 0 O-C-N 123.086 1.045 . . . . 0.0 113.36 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -15.59 63.63 Favored 'General case' 0 C--O 1.264 1.827 0 O-C-N 119.997 -1.689 . . . . 0.0 112.281 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.805 ' HB3' HD11 ' B' ' 71' ' ' LEU . 31.6 mm-40 -95.5 -10.59 29.3 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 120.462 -1.399 . . . . 0.0 112.187 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -84.95 129.67 34.76 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.29 1.995 . . . . 0.0 115.686 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 3.3 mmt180 -121.12 116.19 24.52 Favored 'General case' 0 C--O 1.298 3.654 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 172.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -103.6 130.24 51.0 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 119.481 1.037 . . . . 0.0 109.95 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.504 HD13 ' CG1' ' B' ' 70' ' ' VAL . 1.8 mp -122.02 131.74 72.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 125.162 1.539 . . . . 0.0 111.963 -177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.27 129.76 18.99 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 177.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.26 45.85 20.06 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 111.964 -2.38 . . . . 0.0 110.685 177.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 20.27 59.63 Favored Glycine 0 C--N 1.298 -1.553 0 C-N-CA 128.277 2.846 . . . . 0.0 117.316 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -109.88 143.83 39.23 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 115.317 -2.277 . . . . 0.0 110.986 174.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -87.19 130.3 34.6 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 103.996 -2.594 . . . . 0.0 103.996 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 61.5 mt -79.52 138.31 37.48 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 117.631 -1.176 . . . . 0.0 110.128 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.81 139.96 36.74 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 125.172 1.545 . . . . 0.0 109.976 -177.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.773 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER -48.24 -42.12 29.5 Favored 'General case' 0 C--O 1.263 1.778 0 N-CA-C 120.772 3.619 . . . . 0.0 120.772 -175.792 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.07 -8.68 85.28 Favored Glycine 0 N--CA 1.476 1.358 0 N-CA-C 115.927 1.131 . . . . 0.0 115.927 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -85.63 165.33 17.1 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 120.159 -1.789 . . . . 0.0 107.991 176.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.2 p -104.3 164.4 11.75 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.97 -36.37 79.22 Favored 'General case' 0 C--O 1.2 -1.506 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -29.73 70.91 Favored 'General case' 0 C--O 1.267 1.982 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.208 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.66 -39.03 70.36 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 122.533 1.159 . . . . 0.0 110.793 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -91.06 4.42 52.18 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 117.576 -1.202 . . . . 0.0 112.885 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.9 45.45 18.3 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 121.726 2.057 . . . . 0.0 111.284 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.83 116.14 29.93 Favored 'Isoleucine or valine' 0 C--O 1.269 2.109 0 CA-C-O 115.094 -2.384 . . . . 0.0 106.284 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 169.58 8.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 126.113 2.133 . . . . 0.0 109.752 -176.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.85 142.92 27.46 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 123.081 1.42 . . . . 0.0 109.273 -176.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 67.03 19.04 10.57 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.886 2.55 . . . . 0.0 117.886 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 96.3 p -71.09 159.54 34.53 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 174.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.643 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 0.6 OUTLIER -118.96 126.62 52.17 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 118.218 -0.896 . . . . 0.0 108.874 175.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 23.1 mt -103.11 154.54 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.674 -2.584 . . . . 0.0 105.751 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.283 -2.324 0 O-C-N 127.514 3.009 . . . . 0.0 105.707 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.05 115.85 30.91 Favored 'General case' 0 C--O 1.283 2.844 0 CA-C-O 117.671 -1.157 . . . . 0.0 111.417 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.513 ' HA ' HD21 ' B' ' 8' ' ' LEU . 1.1 m -108.17 139.9 28.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 103.375 -2.824 . . . . 0.0 103.375 175.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.04 -83.49 0.37 Allowed 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.098 0.475 . . . . 0.0 109.836 178.334 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? . . . . . 0 C--N 1.278 -2.537 0 CA-C-O 113.406 -3.188 . . . . 0.0 105.456 179.795 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mttp . . . . . 0 CA--C 1.511 -0.545 0 CA-C-O 121.643 0.735 . . . . 0.0 110.624 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -88.99 137.85 31.94 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.56 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.471 HD22 ' CE1' ' C' ' 127' ' ' TYR . 7.6 mt -70.17 -39.64 75.19 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.682 0.753 . . . . 0.0 111.874 172.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -144.29 136.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.233 1.413 . . . . 0.0 107.464 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.38 148.15 34.31 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.524 165.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -161.08 155.15 22.66 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.261 0.976 . . . . 0.0 111.21 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -72.21 127.8 33.69 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.331 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.663 ' HB3' HG12 ' C' ' 47' ' ' VAL . . . -166.17 147.7 6.75 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.08 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.96 164.88 25.19 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 175.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -109.18 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . 0.567 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.08 161.07 37.11 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 174.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . 0.573 ' O ' HG22 ' C' ' 39' ' ' THR . 0.1 OUTLIER -136.7 156.58 48.33 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 118.085 -1.446 . . . . 0.0 108.72 177.347 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.534 HD22 HG12 ' C' ' 38' ' ' VAL . 0.0 OUTLIER -92.79 116.19 28.8 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.358 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 173.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . 0.44 ' O ' HD12 ' C' ' 33' ' ' LEU . . . 64.32 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.324 -1.911 . . . . 0.0 108.324 -169.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.56 18.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.352 -0.424 . . . . 0.0 109.98 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -112.02 122.53 48.02 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.534 HG12 HD22 ' C' ' 33' ' ' LEU . 27.5 m -76.16 120.04 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 174.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . 0.573 HG22 ' O ' ' C' ' 32' ' ' SER . 0.8 OUTLIER -124.13 119.47 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -173.376 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.07 134.94 59.33 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 117.882 -0.945 . . . . 0.0 111.845 173.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.78 132.14 34.18 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.12 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -67.09 144.39 56.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -173.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -68.15 125.6 26.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.31 171.17 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.376 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mt -128.4 124.4 36.21 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 175.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' C' ' 28' ' ' ALA . 0.2 OUTLIER -90.96 137.56 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.147 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 164.551 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.406 ' CE2' ' SG ' ' C' ' 60' ' ' CYS . 6.0 p90 -151.91 157.83 42.35 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.993 0.901 . . . . 0.0 113.024 175.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 1.2 mt -118.85 131.06 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 113.559 -1.655 . . . . 0.0 108.309 174.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . 0.455 ' N ' ' ND1' ' C' ' 58' ' ' HIS . 0.3 OUTLIER -134.0 137.64 44.88 Favored 'General case' 0 CA--C 1.494 -1.193 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.422 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -100.23 122.05 42.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 170.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.03 171.14 13.21 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.259 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 p-10 -71.64 -10.42 59.74 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.661 -0.816 . . . . 0.0 113.156 -170.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.64 7.43 14.76 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.23 -0.188 . . . . 0.0 110.974 170.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t 73.78 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.493 1.517 . . . . 0.0 114.743 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 149.93 39.47 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 119.228 -0.989 . . . . 0.0 113.113 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 3.9 mm -102.21 129.06 54.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.145 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.993 ' O ' ' ND1' ' C' ' 58' ' ' HIS . 0.0 OUTLIER -117.6 125.39 50.7 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -176.501 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.87 118.98 36.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 171.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . 0.671 ' HB2' ' CD2' ' C' ' 58' ' ' HIS . 48.7 t -127.7 156.8 41.8 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -171.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . 0.411 ' HZ2' ' CZ ' ' C' ' 107' ' ' PHE . 5.0 m-90 -130.47 128.28 40.94 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.712 169.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -120.68 134.38 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.059 -1.428 . . . . 0.0 109.753 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.25 115.24 13.53 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 173.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.96 -32.38 73.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -176.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . 0.473 HG23 ' N ' ' C' ' 66' ' ' SER . 5.7 t -72.53 -46.23 55.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . 0.473 ' N ' HG23 ' C' ' 65' ' ' THR . 6.9 t -91.46 -20.46 21.73 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.516 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 2.72 60.53 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . 0.639 ' O ' HG23 ' C' ' 69' ' ' VAL . 32.1 m -84.19 109.11 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -94.37 -28.98 15.24 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.048 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -121.9 135.66 54.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.847 0.832 . . . . 0.0 109.433 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.06 103.29 2.38 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.08 123.24 45.14 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.242 -174.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 10.1 mm -75.8 124.26 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-O 122.396 1.093 . . . . 0.0 111.776 168.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.96 130.29 74.55 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.632 -174.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -101.23 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.519 1.137 . . . . 0.0 110.883 173.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -54.23 133.87 57.83 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.889 2.393 . . . . 0.0 111.387 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.41 6.95 5.96 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.66 2.096 . . . . 0.0 116.66 -175.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -70.44 -33.63 71.53 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.011 0.823 . . . . 0.0 109.558 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 168.19 27.75 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.441 -1.304 . . . . 0.0 113.601 -173.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -133.5 139.25 46.54 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.45 -1.705 . . . . 0.0 107.038 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.412 ' CE2' ' CB ' ' C' ' 94' ' ' TYR . 5.3 t80 -106.7 124.13 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -148.51 156.45 42.47 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -67.73 142.78 56.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.008 -0.997 . . . . 0.0 108.445 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . 0.845 ' O ' HG23 ' C' ' 85' ' ' VAL . 1.2 m -94.22 98.3 2.83 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 171.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.96 -31.96 91.97 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 N-CA-C 117.816 2.199 . . . . 0.0 117.816 -167.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -91.09 8.63 34.58 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.236 -164.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 30.0 p -85.1 119.7 72.75 Favored Pre-proline 0 CA--C 1.514 -0.413 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.0 -19.83 34.22 Favored 'Trans proline' 0 C--N 1.346 0.443 0 O-C-N 122.978 0.988 . . . . 0.0 114.441 -173.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.56 -34.65 78.74 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.368 0.531 . . . . 0.0 110.047 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.48 13.07 64.88 Favored Glycine 0 CA--C 1.506 -0.473 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.511 -172.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -121.01 17.11 11.7 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . 0.642 ' HB ' ' CG2' ' C' ' 85' ' ' VAL . 96.7 t -97.06 133.44 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 173.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' C' ' 109' ' ' MET . 2.4 m-85 -125.04 151.73 45.22 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.468 1.73 . . . . 0.0 110.418 178.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.99 135.37 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . 0.452 HD13 ' C ' ' C' ' 96' ' ' LEU . 3.1 tm? -95.44 108.07 20.26 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -109.21 125.2 51.98 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -171.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -84.75 115.72 22.86 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.155 0.909 . . . . 0.0 109.17 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -25.19 68.14 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.36 -169.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.21 115.19 28.95 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 173.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . 0.553 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.88 172.47 27.76 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -172.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.42 9.0 33.59 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.074 -0.662 . . . . 0.0 110.51 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -70.67 129.24 38.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.602 -165.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 141.74 46.19 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.936 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 20.9 mt -124.55 126.21 45.46 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . 0.44 ' N ' ' CD2' ' C' ' 106' ' ' PHE . 1.4 m-85 -100.88 143.65 30.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.319 -177.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . 0.411 ' CZ ' ' HZ2' ' C' ' 61' ' ' TRP . 1.4 m-85 -137.07 156.67 48.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.258 178.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.47 126.61 35.46 Favored 'General case' 0 N--CA 1.42 -1.937 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.466 174.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . 0.481 ' HB2' ' CE1' ' C' ' 94' ' ' TYR . 0.1 OUTLIER -62.66 137.8 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.189 -174.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -118.87 3.97 11.53 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.268 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.28 135.92 93.85 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.129 1.442 . . . . 0.0 108.623 172.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.37 -41.29 42.44 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.58 -1.147 . . . . 0.0 112.366 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 147.0 24.19 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.498 173.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 75.4 p -83.54 -9.23 59.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.102 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -103.19 5.79 37.92 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . 0.402 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 15.8 p-10 -56.97 -48.71 77.73 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.27 -177.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.81 -32.32 70.71 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.522 -173.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.22 -44.06 80.47 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.926 0.393 . . . . 0.0 110.96 175.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -55.57 -45.87 77.26 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.998 -1.064 . . . . 0.0 112.325 173.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 8.6 m -60.6 -43.07 97.85 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.693 0.759 . . . . 0.0 110.297 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -61.9 -43.49 98.74 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.166 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -64.12 -42.47 96.83 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.28 -51.8 29.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.476 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.38 -39.55 87.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -65.27 -45.99 82.29 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.446 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . 0.471 ' CE1' HD22 ' C' ' 23' ' ' LEU . 27.5 m-85 -79.08 -24.37 43.54 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 119.4 -0.92 . . . . 0.0 112.351 -174.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' C' ' 129' ' ' ASN . 0.1 OUTLIER -79.17 -36.03 40.97 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.192 174.518 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . 0.536 ' HB2' HD23 ' C' ' 128' ' ' LEU . 3.2 t-20 -110.78 -11.1 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -168.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -141.21 71.78 27.27 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 169.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . 0.568 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 67.1 Cg_exo -51.69 -44.81 42.01 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.625 1.55 . . . . 0.0 111.545 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 71.6 Cg_exo . . . . . 0 C--N 1.29 -2.541 0 C-N-CA 122.425 2.083 . . . . 0.0 111.611 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.06 138.17 31.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 126.834 2.584 . . . . 0.0 108.902 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.829 HD11 HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -131.2 162.98 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.399 0 N-CA-C 105.601 -1.999 . . . . 0.0 105.601 173.461 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.93 140.3 49.38 Favored 'General case' 0 N--CA 1.512 2.663 1 O-C-N 130.585 4.928 . . . . 0.0 108.764 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.19 114.26 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 113.427 -3.177 . . . . 0.0 105.537 175.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -95.22 127.45 41.29 Favored 'General case' 0 N--CA 1.505 2.315 1 O-C-N 129.345 4.153 . . . . 0.0 107.962 -178.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.717 HG23 ' H ' ' A' ' 9' ' ' THR . 14.8 t -99.47 170.73 8.41 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.404 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -7.0 49.83 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.141 0.9 . . . . 0.0 112.694 -177.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.717 ' H ' HG23 ' A' ' 7' ' ' THR . 0.3 OUTLIER -101.51 15.06 30.09 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.638 -2.425 . . . . 0.0 111.996 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.89 80.12 Favored Glycine 0 C--N 1.297 -1.615 0 O-C-N 120.053 -1.655 . . . . 0.0 116.022 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.544 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.47 138.17 34.46 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 174.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.0 p -120.03 131.69 55.21 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.653 2.471 . . . . 0.0 105.849 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.53 141.94 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 127.621 3.075 . . . . 0.0 108.927 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.44 139.75 36.68 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 117.147 -1.821 . . . . 0.0 108.091 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.42 HD11 HD11 ' A' ' 30' ' ' ILE . 7.3 mt -126.45 154.06 44.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 115.363 -2.256 . . . . 0.0 108.34 -179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -111.82 121.04 43.98 Favored 'General case' 0 N--CA 1.499 2.017 1 O-C-N 129.245 4.091 . . . . 0.0 103.611 173.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.829 HG12 HD11 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -138.97 170.55 16.03 Favored 'Isoleucine or valine' 0 C--O 1.256 1.406 0 O-C-N 127.55 3.031 . . . . 0.0 111.222 -177.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 17' ' ' VAL . 2.9 pm0 -119.89 144.51 37.53 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.43 -2.168 . . . . 0.0 106.364 174.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -55.1 -24.3 39.98 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.466 2.111 . . . . 0.0 111.875 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -80.01 -8.15 59.2 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.912 -177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.612 ' OD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -71.01 148.5 47.56 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 117.358 -1.737 . . . . 0.0 109.831 -179.073 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.79 160.52 21.2 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.822 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.686 HD13 ' O ' ' A' ' 51' ' ' GLU . 1.5 mp -61.46 -37.06 76.89 Favored 'Isoleucine or valine' 0 C--O 1.247 0.93 0 O-C-N 127.17 2.794 . . . . 0.0 110.245 175.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.52 -40.25 78.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.221 -0.924 . . . . 0.0 110.765 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.35 -41.87 80.07 Favored 'General case' 0 C--O 1.263 1.792 0 O-C-N 121.945 -0.472 . . . . 0.0 110.984 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.612 HG23 ' OD2' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -58.23 -46.43 88.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 124.409 1.068 . . . . 0.0 109.112 178.165 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -60.88 -37.86 83.64 Favored 'General case' 0 C--O 1.26 1.619 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.687 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.0 86.82 Favored 'General case' 0 C--O 1.277 2.538 0 CA-C-N 118.184 0.447 . . . . 0.0 111.129 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -37.54 87.83 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 120.441 -1.412 . . . . 0.0 110.668 176.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.42 HD11 HD11 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -69.93 -39.58 77.71 Favored 'Isoleucine or valine' 0 C--O 1.251 1.157 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.17 -48.69 78.95 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 125.5 2.571 . . . . 0.0 109.176 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -53.22 -41.83 65.76 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.902 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 0.8 OUTLIER -93.58 -24.23 18.02 Favored 'General case' 0 C--O 1.28 2.688 0 N-CA-C 117.182 2.289 . . . . 0.0 117.182 -175.821 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -123.43 -6.38 8.17 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 123.094 2.679 . . . . 0.0 114.212 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.63 90.01 Favored Glycine 0 CA--C 1.479 -2.17 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.0 mt -79.84 124.71 83.19 Favored Pre-proline 0 C--O 1.243 0.746 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.932 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 84.1 Cg_exo -56.95 136.89 79.29 Favored 'Trans proline' 0 C--O 1.258 1.516 0 C-N-CA 123.239 2.626 . . . . 0.0 110.768 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -57.08 -32.0 91.94 Favored 'Trans proline' 0 C--O 1.262 1.676 0 O-C-N 122.97 0.984 . . . . 0.0 113.676 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -15.4 63.54 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.951 -1.718 . . . . 0.0 112.206 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.96 -10.29 29.03 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.63 -1.294 . . . . 0.0 112.054 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -84.8 129.58 34.8 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.339 2.019 . . . . 0.0 115.792 -177.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -121.07 116.16 24.5 Favored 'General case' 0 C--O 1.299 3.69 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 171.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.59 130.11 50.96 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 119.631 1.105 . . . . 0.0 109.953 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -122.02 131.88 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 O-C-N 125.088 1.493 . . . . 0.0 111.926 -177.57 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -144.38 129.49 18.62 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.14 19.67 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.195 -2.275 . . . . 0.0 110.766 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.6 21.74 60.82 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 128.672 3.034 . . . . 0.0 117.542 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.03 142.9 46.01 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.91 130.21 34.61 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 103.729 -2.693 . . . . 0.0 103.729 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mp -79.42 138.08 37.49 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 117.656 -1.164 . . . . 0.0 110.229 -176.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.686 ' O ' HD13 ' A' ' 23' ' ' ILE . 24.0 mp0 -101.82 140.04 36.64 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 125.123 1.514 . . . . 0.0 109.949 -177.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -47.96 -42.5 27.76 Favored 'General case' 0 C--O 1.264 1.825 0 N-CA-C 120.76 3.615 . . . . 0.0 120.76 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.86 85.47 Favored Glycine 0 CA--C 1.489 -1.58 0 N-CA-C 116.251 1.26 . . . . 0.0 116.251 -177.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.679 ' O ' HD12 ' A' ' 23' ' ' ILE . 15.0 mtt180 -85.44 165.35 17.25 Favored 'General case' 0 C--O 1.251 1.17 0 O-C-N 119.709 -2.053 . . . . 0.0 108.04 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.6 p -104.43 164.75 11.52 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.49 -36.1 79.51 Favored 'General case' 0 C--O 1.202 -1.428 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -29.46 70.58 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.335 -1.746 . . . . 0.0 112.193 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -39.55 70.88 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.322 1.058 . . . . 0.0 110.617 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -90.73 4.56 51.21 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 117.723 -1.132 . . . . 0.0 113.029 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 58.25 45.17 17.63 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.633 2.015 . . . . 0.0 111.121 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.78 116.46 30.44 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.123 -2.37 . . . . 0.0 106.216 175.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -103.48 169.71 8.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 126.075 2.11 . . . . 0.0 109.406 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -54.88 142.96 27.47 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.293 1.52 . . . . 0.0 109.079 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.647 ' O ' HD22 ' B' ' 8' ' ' LEU . 0.7 OUTLIER 66.85 19.31 10.67 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 118.006 2.595 . . . . 0.0 118.006 179.406 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -71.2 159.47 34.58 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 174.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.496 ' HB ' HD23 ' B' ' 8' ' ' LEU . 0.6 OUTLIER -119.14 126.81 52.49 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 118.182 -0.913 . . . . 0.0 108.847 175.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.4 mt -103.12 154.56 19.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.821 -2.514 . . . . 0.0 105.641 175.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.456 ' O ' HG23 ' A' ' 44' ' ' ILE . 6.1 t-160 -105.71 135.57 46.9 Favored 'General case' 0 C--N 1.287 -2.126 0 O-C-N 127.325 2.891 . . . . 0.0 105.894 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.3 mt -106.8 115.88 30.97 Favored 'General case' 0 C--O 1.285 2.941 0 CA-C-O 117.682 -1.152 . . . . 0.0 111.451 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.09 140.01 28.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 175.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.8 mt -96.18 138.86 33.18 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.204 0.526 . . . . 0.0 109.838 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.277 -2.547 0 CA-C-O 113.208 -3.282 . . . . 0.0 105.592 178.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -90.91 138.46 31.58 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 127.197 2.811 . . . . 0.0 108.767 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 pt -131.17 163.13 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-O 115.817 -2.04 . . . . 0.0 105.895 173.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.98 140.13 49.57 Favored 'General case' 0 N--CA 1.514 2.761 1 O-C-N 130.604 4.94 . . . . 0.0 108.602 179.794 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -117.88 114.0 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 113.345 -3.217 . . . . 0.0 105.869 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -95.11 127.59 41.28 Favored 'General case' 0 N--CA 1.503 2.18 1 O-C-N 129.177 4.048 . . . . 0.0 108.108 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 53.0 p -99.57 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.791 -1.1 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -73.37 -6.99 49.71 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 124.106 0.879 . . . . 0.0 112.798 -178.256 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.0 t -101.22 14.81 30.8 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 115.665 -2.414 . . . . 0.0 111.973 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.59 80.15 Favored Glycine 0 C--N 1.296 -1.65 0 O-C-N 120.277 -1.514 . . . . 0.0 116.093 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -96.27 137.93 34.62 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 p -119.88 131.89 55.38 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 126.355 2.285 . . . . 0.0 106.21 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.51 141.8 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 127.815 3.197 . . . . 0.0 109.109 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.19 139.91 36.22 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 116.982 -1.887 . . . . 0.0 108.405 177.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.58 154.11 44.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 115.524 -2.179 . . . . 0.0 108.305 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -111.91 121.13 44.17 Favored 'General case' 0 N--CA 1.496 1.846 1 O-C-N 129.232 4.082 . . . . 0.0 103.508 174.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 m -139.01 170.64 15.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 O-C-N 127.835 3.209 . . . . 0.0 111.246 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.1 144.63 38.15 Favored Pre-proline 0 C--N 1.312 -1.036 0 CA-C-N 112.019 -2.355 . . . . 0.0 106.273 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -54.91 -24.67 40.11 Favored 'Trans proline' 0 C--N 1.318 -1.053 0 C-N-CA 122.596 2.197 . . . . 0.0 111.591 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 33.7 t -79.89 -8.21 59.18 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 121.142 -0.973 . . . . 0.0 110.964 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -71.0 148.53 47.54 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 117.287 -1.765 . . . . 0.0 109.768 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -83.93 160.52 21.07 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.762 HD12 ' O ' ' B' ' 54' ' ' ARG . 1.7 mp -61.42 -36.8 75.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 126.957 2.661 . . . . 0.0 110.409 175.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.629 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 88.6 tt0 -56.14 -42.94 77.72 Favored 'General case' 0 C--O 1.253 1.288 0 O-C-N 120.389 -1.444 . . . . 0.0 110.937 176.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -64.39 -44.55 90.96 Favored 'General case' 0 C--O 1.251 1.137 0 C-N-CA 124.301 1.041 . . . . 0.0 111.394 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.67 -46.18 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 114.294 -1.321 . . . . 0.0 108.971 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 1.227 ' CG ' ' HB3' ' B' ' 38' ' ' PRO . 0.0 OUTLIER -60.75 -38.05 83.89 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.849 -179.688 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.735 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . . . -66.27 -37.97 86.73 Favored 'General case' 0 C--O 1.278 2.584 0 O-C-N 123.381 0.425 . . . . 0.0 111.336 176.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -63.93 -37.53 87.75 Favored 'General case' 0 C--O 1.253 1.28 0 O-C-N 120.431 -1.418 . . . . 0.0 110.821 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.485 HD13 ' OE1' ' B' ' 41' ' ' GLN . 4.5 mt -69.67 -39.78 78.57 Favored 'Isoleucine or valine' 0 C--O 1.254 1.333 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.94 -48.81 78.72 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.634 2.635 . . . . 0.0 109.081 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.43 -41.83 66.48 Favored 'General case' 0 C--O 1.257 1.477 0 CA-C-N 113.605 -1.634 . . . . 0.0 111.797 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.322 0.0 OUTLIER -93.41 -24.17 18.16 Favored 'General case' 0 C--O 1.282 2.763 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -175.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.77 -6.35 7.98 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 122.965 2.621 . . . . 0.0 113.803 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.58 90.05 Favored Glycine 0 CA--C 1.475 -2.407 0 N-CA-C 118.791 2.277 . . . . 0.0 118.791 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.475 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 1.1 mt -79.81 125.06 82.98 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 118.727 -1.189 . . . . 0.0 111.085 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 26.3 Cg_endo -57.21 136.97 79.6 Favored 'Trans proline' 0 C--O 1.256 1.417 0 C-N-CA 122.964 2.443 . . . . 0.0 110.901 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 1.227 ' HB3' ' CG ' ' B' ' 27' ' ' LYS . 26.8 Cg_endo -57.12 -32.23 92.73 Favored 'Trans proline' 0 C--O 1.262 1.684 0 O-C-N 123.022 1.011 . . . . 0.0 113.424 -179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.24 -15.6 63.64 Favored 'General case' 0 C--O 1.264 1.831 0 O-C-N 119.989 -1.694 . . . . 0.0 112.179 -177.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.666 ' HB3' HD11 ' B' ' 71' ' ' LEU . 1.5 mp0 -95.58 -10.66 28.95 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.502 -1.374 . . . . 0.0 112.136 178.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.485 ' OE1' HD13 ' B' ' 30' ' ' ILE . 36.5 tt0 -84.8 129.61 34.79 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 124.249 1.976 . . . . 0.0 115.778 -177.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -121.15 116.12 24.36 Favored 'General case' 0 C--O 1.299 3.679 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 172.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 mt -103.61 130.31 51.02 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 119.501 1.046 . . . . 0.0 109.964 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.607 ' O ' HG13 ' B' ' 44' ' ' ILE . 0.4 OUTLIER -122.03 131.66 72.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 125.234 1.584 . . . . 0.0 112.06 -177.598 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.532 ' N ' HD12 ' B' ' 44' ' ' ILE . 60.8 t80 -144.23 129.88 19.13 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.02 19.37 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 112.002 -2.363 . . . . 0.0 110.676 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.22 59.65 Favored Glycine 0 C--N 1.299 -1.508 0 C-N-CA 128.342 2.877 . . . . 0.0 117.298 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -109.89 143.79 39.3 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 115.285 -2.293 . . . . 0.0 110.903 174.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -87.07 130.31 34.55 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 173.295 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.6 138.46 37.44 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 117.635 -1.174 . . . . 0.0 110.028 -175.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.552 ' O ' HD13 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -101.94 140.0 36.81 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.283 1.615 . . . . 0.0 109.947 -177.664 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -48.31 -41.95 29.66 Favored 'General case' 0 C--O 1.261 1.695 0 N-CA-C 120.81 3.633 . . . . 0.0 120.81 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.21 -8.59 85.17 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 115.98 1.152 . . . . 0.0 115.98 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.762 ' O ' HD12 ' B' ' 23' ' ' ILE . 25.6 mmt-85 -85.64 165.31 17.11 Favored 'General case' 0 C--O 1.251 1.159 0 O-C-N 120.04 -1.859 . . . . 0.0 107.975 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 65.7 p -104.32 164.5 11.69 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 177.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.1 -36.39 79.55 Favored 'General case' 0 C--O 1.201 -1.483 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -29.78 70.97 Favored 'General case' 0 C--O 1.267 2.007 0 C-N-CA 117.254 -1.778 . . . . 0.0 112.21 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -39.01 70.36 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.572 1.177 . . . . 0.0 110.795 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -91.13 4.51 52.01 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 117.61 -1.186 . . . . 0.0 112.888 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.83 45.45 18.53 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 121.664 2.029 . . . . 0.0 111.327 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.66 116.21 29.95 Favored 'Isoleucine or valine' 0 C--O 1.272 2.248 0 CA-C-O 114.939 -2.458 . . . . 0.0 106.367 175.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -103.3 169.52 8.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 126.173 2.171 . . . . 0.0 109.7 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.97 142.99 27.81 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 123.15 1.453 . . . . 0.0 109.264 -176.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.02 19.08 10.59 Favored 'General case' 0 C--O 1.255 1.345 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.11 159.57 34.45 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 174.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -119.08 126.59 52.02 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 118.308 -0.853 . . . . 0.0 108.752 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -103.17 154.59 19.15 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 114.67 -2.586 . . . . 0.0 105.731 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -105.61 135.86 46.24 Favored 'General case' 0 C--N 1.284 -2.245 0 O-C-N 127.59 3.056 . . . . 0.0 105.636 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -107.19 115.84 30.87 Favored 'General case' 0 C--O 1.283 2.849 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.452 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.2 t -108.14 139.96 28.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -96.2 -83.38 0.37 Allowed 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.087 0.47 . . . . 0.0 109.827 178.477 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 . . . . . 0 C--N 1.277 -2.547 0 CA-C-O 113.356 -3.212 . . . . 0.0 105.378 179.276 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 27.2 mttt . . . . . 0 CA--C 1.509 -0.616 0 CA-C-O 121.631 0.729 . . . . 0.0 110.714 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.607 -178.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' C' ' 23' ' ' LEU . 4.2 mm? -70.14 -39.64 75.28 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.704 0.764 . . . . 0.0 111.89 172.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.34 136.07 21.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 125.283 1.433 . . . . 0.0 107.484 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.36 148.07 34.25 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.539 165.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.04 155.16 22.76 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.348 1.03 . . . . 0.0 111.149 173.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.2 127.9 34.01 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.178 -1.374 . . . . 0.0 112.335 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.25 147.69 6.65 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.093 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.84 25.13 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.18 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 4.1 mtt -137.13 161.01 37.31 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -136.61 156.54 48.41 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.105 -1.438 . . . . 0.0 108.826 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -92.74 116.14 28.75 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.37 115.87 29.43 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 172.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.23 -116.04 8.62 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.5 m -113.98 14.46 18.43 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.949 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . 0.412 ' O ' HG23 ' C' ' 39' ' ' THR . 12.1 p -111.94 122.52 48.0 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.47 ' O ' HG13 ' C' ' 38' ' ' VAL . 7.5 p -76.05 119.96 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 174.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . 0.412 HG23 ' O ' ' C' ' 37' ' ' THR . 1.2 p -124.14 119.33 26.48 Favored Pre-proline 0 C--O 1.245 0.856 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -173.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.93 134.89 59.51 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 117.9 -0.934 . . . . 0.0 111.872 173.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -85.74 132.19 34.18 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -11.19 59.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -172.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -67.03 144.42 56.17 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -68.18 125.6 26.9 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 171.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.26 21.57 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.249 1.472 . . . . 0.0 115.316 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -128.41 124.36 36.1 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 175.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -90.97 137.63 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 164.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -151.94 157.82 42.3 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.991 0.9 . . . . 0.0 113.055 175.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 55.1 mt -118.84 131.05 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 113.593 -1.64 . . . . 0.0 108.378 174.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -134.07 137.63 44.78 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -100.17 122.12 42.5 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 170.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 12.0 p -84.08 171.1 13.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.267 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -10.44 59.78 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.67 7.48 14.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.231 -0.187 . . . . 0.0 111.028 170.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t 73.87 -1.38 3.08 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.386 1.474 . . . . 0.0 114.766 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.87 149.87 39.39 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 122.231 1.015 . . . . 0.0 113.015 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mm -102.16 129.14 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.138 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 79.7 m-70 -117.64 125.21 50.33 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -176.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -98.7 119.01 36.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 171.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . 0.544 ' C ' ' CD1' ' C' ' 61' ' ' TRP . 62.3 m -127.78 156.82 41.87 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . 0.803 ' HZ2' HD13 ' C' ' 105' ' ' LEU . 0.4 OUTLIER -130.44 128.22 40.85 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.711 169.358 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -120.61 134.33 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.046 -1.434 . . . . 0.0 109.775 -176.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -74.34 115.34 13.75 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -64.06 -32.34 73.86 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -46.26 55.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -175.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -91.37 -20.47 21.8 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.555 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.53 2.67 60.58 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.743 -0.476 . . . . 0.0 113.748 -171.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.47 130.01 39.68 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.711 1.256 . . . . 0.0 113.172 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 t -84.15 109.05 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 173.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -94.42 -28.92 15.24 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.96 -171.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . 0.512 ' CB ' ' CE3' ' C' ' 61' ' ' TRP . 8.5 t70 -121.92 135.58 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.865 0.84 . . . . 0.0 109.441 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -154.98 103.26 2.39 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 104.492 -2.41 . . . . 0.0 104.492 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.0 123.29 45.35 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.257 -174.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 pt -75.83 124.23 33.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.355 1.074 . . . . 0.0 111.75 168.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 1.3 mt -123.03 130.31 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.358 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.633 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.21 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.45 1.093 . . . . 0.0 110.902 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -54.24 133.85 57.78 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.889 2.393 . . . . 0.0 111.346 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.56 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.613 2.079 . . . . 0.0 116.613 -175.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.42 -33.6 71.53 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.038 0.835 . . . . 0.0 109.602 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 23.6 p -154.9 168.12 28.01 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.427 -1.309 . . . . 0.0 113.601 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . 0.417 ' HB2' ' HZ2' ' C' ' 97' ' ' LYS . 15.6 mm-40 -133.38 139.37 46.75 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.434 -1.712 . . . . 0.0 107.037 -178.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.423 ' CE2' ' HD1' ' C' ' 107' ' ' PHE . 6.0 t80 -106.75 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.54 156.54 42.57 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -67.78 142.86 56.09 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.379 177.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 64.6 t -94.33 98.3 2.87 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -60.94 -31.94 91.98 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 N-CA-C 117.807 2.195 . . . . 0.0 117.807 -167.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.15 8.6 34.84 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 117.956 -1.498 . . . . 0.0 112.19 -164.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 25.1 p -85.06 119.66 72.75 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.97 -19.86 34.2 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.97 0.984 . . . . 0.0 114.39 -173.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -65.53 -34.67 78.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.457 0.571 . . . . 0.0 110.035 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.52 13.0 64.86 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.535 -172.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -121.02 17.13 11.69 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 93.2 t -97.08 133.48 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -125.05 151.79 45.16 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.446 1.716 . . . . 0.0 110.458 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.04 135.25 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 9.1 tt -95.35 108.14 20.3 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 169.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . 0.417 ' HZ2' ' HB2' ' C' ' 81' ' ' GLU . 2.4 mtmp? -109.28 125.2 52.04 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -171.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -84.84 115.66 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.127 0.892 . . . . 0.0 109.17 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . 0.402 ' CB ' ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -63.47 -25.12 68.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.398 -169.597 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.23 115.17 28.89 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 173.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 32.2 t -91.39 9.09 33.13 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.007 -0.702 . . . . 0.0 110.575 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.71 129.25 38.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 117.942 -1.503 . . . . 0.0 110.501 -165.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 141.75 46.13 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.965 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . 0.803 HD13 ' HZ2' ' C' ' 61' ' ' TRP . 0.8 OUTLIER -124.56 126.11 45.28 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 105.898 -1.889 . . . . 0.0 105.898 171.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . 0.46 ' O ' ' CD2' ' C' ' 107' ' ' PHE . 1.7 m-85 -100.84 143.66 30.73 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.748 1.28 . . . . 0.0 110.316 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . 0.476 ' CE2' ' CZ2' ' C' ' 61' ' ' TRP . 4.0 m-85 -137.08 156.72 48.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.307 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.5 126.57 35.29 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.408 175.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 27.3 mmt -62.68 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.258 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -118.9 4.03 11.5 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.243 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.27 135.87 93.81 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.147 1.451 . . . . 0.0 108.664 172.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.29 -41.35 42.64 Favored 'Trans proline' 0 C--O 1.245 0.842 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.422 -174.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 146.94 24.25 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.498 173.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.7 p -83.43 -9.26 59.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.211 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -33.82 56.06 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 123.504 0.722 . . . . 0.0 112.792 -169.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.25 5.88 37.82 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -56.86 -48.8 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.332 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -32.15 70.33 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.522 -173.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -44.07 80.05 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 120.917 0.389 . . . . 0.0 110.875 175.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -55.6 -45.85 77.38 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.98 -1.075 . . . . 0.0 112.35 173.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.53 -43.18 97.42 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.684 0.754 . . . . 0.0 110.348 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -61.8 -43.53 98.66 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.127 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -64.16 -42.33 96.77 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 3.4 t -52.33 -51.91 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.38 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . 0.508 ' HA ' HD23 ' C' ' 128' ' ' LEU . 2.6 t30 -60.3 -39.57 87.41 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.32 -46.0 82.07 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.445 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -79.0 -24.4 43.75 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 119.437 -0.905 . . . . 0.0 112.47 -174.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.12 -36.13 41.1 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.19 174.527 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . 0.458 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.73 -11.1 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -168.547 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -141.2 71.84 27.27 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 169.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.66 167.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.698 1.599 . . . . 0.0 111.672 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo . . . . . 0 C--N 1.289 -2.583 0 C-N-CA 122.545 2.163 . . . . 0.0 111.592 179.829 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 mmt . . . . . 0 CA--C 1.549 0.932 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -91.16 138.21 31.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 126.834 2.584 . . . . 0.0 108.864 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.786 HD11 HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -131.18 162.95 38.31 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 173.453 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.511 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -115.94 140.2 49.48 Favored 'General case' 0 N--CA 1.514 2.746 1 O-C-N 130.614 4.946 . . . . 0.0 108.749 179.639 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 CA-C-O 113.471 -3.157 . . . . 0.0 105.588 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 127.48 41.21 Favored 'General case' 0 N--CA 1.507 2.376 1 O-C-N 129.38 4.175 . . . . 0.0 107.951 -178.147 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 56.7 p -99.55 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.389 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -6.86 48.98 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 124.123 0.889 . . . . 0.0 112.664 -177.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -101.66 15.16 29.81 Favored 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 115.718 -2.393 . . . . 0.0 111.953 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.25 16.79 80.2 Favored Glycine 0 C--N 1.297 -1.613 0 O-C-N 120.28 -1.512 . . . . 0.0 116.1 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -96.52 138.08 34.64 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p -120.04 131.59 55.17 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 126.623 2.452 . . . . 0.0 105.926 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.41 141.92 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 127.639 3.087 . . . . 0.0 108.932 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.47 139.71 36.76 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 117.09 -1.844 . . . . 0.0 108.148 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.42 153.97 44.28 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.325 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -111.73 121.1 44.18 Favored 'General case' 0 N--CA 1.5 2.028 1 O-C-N 129.255 4.097 . . . . 0.0 103.665 173.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.97 170.57 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.34 0 O-C-N 127.625 3.078 . . . . 0.0 111.201 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -119.99 144.5 37.68 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 112.298 -2.228 . . . . 0.0 106.363 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -55.03 -24.33 39.46 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.515 2.143 . . . . 0.0 111.913 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -79.97 -8.22 59.22 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.944 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.91 148.41 47.77 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 117.436 -1.706 . . . . 0.0 109.867 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -83.8 160.47 21.2 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 175.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.7 mp -61.41 -37.12 76.97 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 O-C-N 127.105 2.753 . . . . 0.0 110.239 175.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.56 -40.15 78.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.346 -0.846 . . . . 0.0 110.838 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.27 -41.93 80.34 Favored 'General case' 0 C--O 1.262 1.725 0 O-C-N 121.923 -0.485 . . . . 0.0 110.956 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG21 HD11 ' A' ' 56' ' ' LEU . 12.3 t -58.29 -46.29 89.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -60.87 -37.94 83.87 Favored 'General case' 0 C--O 1.258 1.536 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.741 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.17 87.62 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-N 118.101 0.409 . . . . 0.0 111.15 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -37.42 87.4 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 123.027 1.394 . . . . 0.0 110.751 176.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.455 HG22 ' CG2' ' A' ' 36' ' ' ILE . 71.5 mt -69.98 -39.57 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -48.82 78.4 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 125.568 2.604 . . . . 0.0 109.102 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -41.76 65.62 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.944 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 0.0 OUTLIER -93.61 -24.21 18.0 Favored 'General case' 0 C--O 1.28 2.704 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -175.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -123.42 -6.45 8.17 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 123.154 2.706 . . . . 0.0 114.22 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.65 90.0 Favored Glycine 0 CA--C 1.478 -2.237 0 N-CA-C 118.889 2.315 . . . . 0.0 118.889 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.455 ' CG2' HG22 ' A' ' 30' ' ' ILE . 2.5 tp -79.75 124.87 83.27 Favored Pre-proline 0 C--O 1.244 0.799 0 C-N-CA 118.812 -1.155 . . . . 0.0 110.939 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 79.9 Cg_exo -57.02 136.81 78.94 Favored 'Trans proline' 0 C--O 1.256 1.403 0 C-N-CA 123.365 2.71 . . . . 0.0 110.769 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.6 Cg_exo -57.14 -31.96 92.0 Favored 'Trans proline' 0 C--O 1.262 1.71 0 O-C-N 123.014 1.008 . . . . 0.0 113.637 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.47 -15.41 63.54 Favored 'General case' 0 C--O 1.261 1.69 0 O-C-N 119.847 -1.783 . . . . 0.0 112.217 -177.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.86 -10.34 29.15 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 120.689 -1.257 . . . . 0.0 112.064 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -84.95 129.61 34.77 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 124.393 2.044 . . . . 0.0 115.738 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HB2' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -120.99 116.06 24.36 Favored 'General case' 0 C--O 1.3 3.752 0 N-CA-C 104.957 -2.238 . . . . 0.0 104.957 172.016 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm? -103.54 130.2 50.9 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 119.546 1.066 . . . . 0.0 109.933 -177.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.467 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -122.0 131.94 72.04 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 O-C-N 125.247 1.592 . . . . 0.0 111.922 -177.61 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -144.44 129.61 18.66 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.07 19.68 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.196 -2.275 . . . . 0.0 110.725 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.67 21.75 60.99 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 128.625 3.012 . . . . 0.0 117.472 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -115.13 142.8 46.16 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 130.26 34.6 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 174.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.45 138.1 37.47 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.193 -175.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.498 ' O ' HD13 ' A' ' 23' ' ' ILE . 1.4 tt0 -101.77 140.15 36.45 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 125.038 1.461 . . . . 0.0 109.927 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.97 -42.51 27.85 Favored 'General case' 0 C--O 1.264 1.845 0 N-CA-C 120.85 3.648 . . . . 0.0 120.85 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.95 85.37 Favored Glycine 0 CA--C 1.489 -1.539 0 N-CA-C 116.264 1.266 . . . . 0.0 116.264 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.737 ' O ' HD12 ' A' ' 23' ' ' ILE . 62.3 mtt180 -85.28 165.32 17.42 Favored 'General case' 0 C--O 1.251 1.184 0 O-C-N 119.709 -2.054 . . . . 0.0 108.12 176.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 1.1 p -104.52 164.79 11.5 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.407 HD11 HG21 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -61.54 -36.07 79.55 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.277 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 p -64.23 -29.43 70.54 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.307 -1.757 . . . . 0.0 112.226 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -55.49 -39.53 70.54 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.513 1.149 . . . . 0.0 110.743 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -90.88 4.75 51.0 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 117.67 -1.157 . . . . 0.0 112.974 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 58.0 45.2 18.37 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.626 2.012 . . . . 0.0 111.271 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.786 HG22 HD11 ' A' ' 3' ' ' ILE . 7.8 mt -88.69 116.48 30.43 Favored 'Isoleucine or valine' 0 C--O 1.267 1.989 0 CA-C-O 115.133 -2.365 . . . . 0.0 106.189 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.51 169.68 8.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 126.127 2.142 . . . . 0.0 109.322 -176.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 143.0 27.35 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 123.224 1.488 . . . . 0.0 109.115 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 67.02 19.17 10.57 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 117.899 2.555 . . . . 0.0 117.899 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 174.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.9 p -119.14 126.73 52.3 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 118.199 -0.905 . . . . 0.0 108.788 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mp -103.1 154.49 19.23 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.815 -2.517 . . . . 0.0 105.639 175.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -105.61 135.71 46.52 Favored 'General case' 0 C--N 1.287 -2.113 0 O-C-N 127.283 2.864 . . . . 0.0 105.888 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 tt -106.93 115.85 30.89 Favored 'General case' 0 C--O 1.285 2.965 0 CA-C-O 117.584 -1.198 . . . . 0.0 111.434 176.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' A' ' 42' ' ' ARG . 7.7 p -108.11 139.88 28.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.09 138.82 33.17 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.305 0.574 . . . . 0.0 109.816 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 . . . . . 0 C--N 1.28 -2.452 0 CA-C-O 113.234 -3.27 . . . . 0.0 105.66 178.601 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.941 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -90.84 138.41 31.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 127.207 2.817 . . . . 0.0 108.887 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.12 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 CA-C-O 115.83 -2.033 . . . . 0.0 105.891 173.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 1.187 ' CZ ' ' HB2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -115.99 140.13 49.57 Favored 'General case' 0 N--CA 1.514 2.727 1 O-C-N 130.526 4.891 . . . . 0.0 108.591 179.785 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.402 ' O ' HG22 ' B' ' 5' ' ' VAL . 0.1 OUTLIER -117.91 114.09 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-O 113.502 -3.142 . . . . 0.0 105.777 175.498 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 1.187 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 10.9 tttt -95.13 127.67 41.36 Favored 'General case' 0 N--CA 1.502 2.174 1 O-C-N 129.14 4.025 . . . . 0.0 108.163 -178.138 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 29.2 p -99.62 170.85 8.3 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.772 -1.109 . . . . 0.0 109.26 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.64 HD22 ' O ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.39 -7.07 50.14 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 124.069 0.855 . . . . 0.0 112.829 -178.283 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.56 ' N ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -101.14 14.82 30.73 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 115.68 -2.408 . . . . 0.0 112.063 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.74 80.04 Favored Glycine 0 C--N 1.296 -1.678 0 O-C-N 120.118 -1.614 . . . . 0.0 116.047 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 137.86 34.74 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 174.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 0.622 ' HB ' ' CE1' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -119.88 131.86 55.38 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 126.509 2.381 . . . . 0.0 106.266 176.122 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -109.42 141.76 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 127.726 3.141 . . . . 0.0 109.156 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.0 t -101.22 140.0 36.12 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 116.931 -1.908 . . . . 0.0 108.31 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -126.58 154.04 44.45 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 115.476 -2.202 . . . . 0.0 108.372 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -111.81 121.2 44.41 Favored 'General case' 0 N--CA 1.495 1.814 1 O-C-N 129.28 4.112 . . . . 0.0 103.543 174.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.03 170.68 15.8 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 O-C-N 127.823 3.202 . . . . 0.0 111.277 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -120.09 144.53 37.93 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 112.1 -2.318 . . . . 0.0 106.413 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.86 -24.71 39.97 Favored 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 122.717 2.278 . . . . 0.0 111.563 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -79.91 -8.19 59.18 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.922 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.01 148.58 47.48 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 117.264 -1.775 . . . . 0.0 109.737 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.8 p -83.9 160.43 21.11 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 1.24 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.38 -36.75 75.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 126.968 2.667 . . . . 0.0 110.392 175.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -43.01 77.89 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.341 -1.474 . . . . 0.0 110.991 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -64.3 -44.53 91.36 Favored 'General case' 0 C--O 1.249 1.064 0 C-N-CA 124.181 0.993 . . . . 0.0 111.471 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -58.56 -46.42 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.86 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -60.75 -37.89 83.35 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.853 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.03 86.76 Favored 'General case' 0 C--O 1.279 2.645 0 O-C-N 123.486 0.492 . . . . 0.0 111.273 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -64.08 -37.4 87.3 Favored 'General case' 0 C--O 1.254 1.301 0 O-C-N 120.449 -1.407 . . . . 0.0 110.844 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -39.73 78.3 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -48.72 79.05 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 125.538 2.59 . . . . 0.0 108.975 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.47 -41.77 66.55 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-N 113.696 -1.593 . . . . 0.0 111.818 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 2.4 mmmp? -93.4 -24.37 18.09 Favored 'General case' 0 C--O 1.281 2.722 0 N-CA-C 117.172 2.286 . . . . 0.0 117.172 -175.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.67 -6.37 8.04 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 122.962 2.619 . . . . 0.0 113.752 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.6 90.0 Favored Glycine 0 CA--C 1.475 -2.436 0 N-CA-C 118.746 2.258 . . . . 0.0 118.746 176.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.481 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 5.0 mm -79.89 125.13 82.67 Favored Pre-proline 0 C--O 1.242 0.681 0 C-N-CA 118.701 -1.2 . . . . 0.0 111.056 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.5 Cg_exo -57.12 136.95 79.6 Favored 'Trans proline' 0 C--O 1.257 1.431 0 C-N-CA 122.988 2.459 . . . . 0.0 110.866 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -57.11 -32.29 92.87 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 123.16 1.084 . . . . 0.0 113.431 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.25 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.813 0 O-C-N 119.913 -1.742 . . . . 0.0 112.306 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.669 ' HB3' HD21 ' B' ' 71' ' ' LEU . 0.5 OUTLIER -95.55 -10.61 29.17 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 120.466 -1.396 . . . . 0.0 112.225 178.44 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -84.8 129.64 34.79 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 124.199 1.952 . . . . 0.0 115.733 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 14.6 mmp_? -121.2 116.09 24.26 Favored 'General case' 0 C--O 1.299 3.676 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 172.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -103.56 130.3 50.95 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.506 1.048 . . . . 0.0 110.013 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mt -122.03 131.56 72.88 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.16 1.538 . . . . 0.0 112.009 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.21 129.83 19.12 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 177.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.21 45.87 19.9 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 111.974 -2.376 . . . . 0.0 110.65 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.95 20.21 59.78 Favored Glycine 0 C--N 1.299 -1.493 0 C-N-CA 128.271 2.844 . . . . 0.0 117.283 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.86 143.8 39.23 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 115.346 -2.264 . . . . 0.0 110.987 174.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -87.17 130.29 34.6 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 104.091 -2.559 . . . . 0.0 104.091 173.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.46 138.38 37.56 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.144 -175.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 1.24 ' O ' HG21 ' B' ' 23' ' ' ILE . 69.6 tt0 -101.92 139.92 36.91 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 125.255 1.597 . . . . 0.0 110.005 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.849 ' O ' HG23 ' B' ' 23' ' ' ILE . 0.3 OUTLIER -48.16 -41.95 28.27 Favored 'General case' 0 C--O 1.262 1.74 0 N-CA-C 120.844 3.646 . . . . 0.0 120.844 -175.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.29 -8.57 85.06 Favored Glycine 0 CA--C 1.492 -1.383 0 N-CA-C 115.96 1.144 . . . . 0.0 115.96 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.799 ' O ' HG22 ' B' ' 23' ' ' ILE . 0.2 OUTLIER -85.55 165.37 17.14 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 120.077 -1.837 . . . . 0.0 108.079 176.364 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 3.9 p -104.38 164.48 11.7 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.05 -36.38 79.44 Favored 'General case' 0 C--O 1.202 -1.44 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.8 p -63.74 -29.73 70.91 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 117.294 -1.763 . . . . 0.0 112.208 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -55.64 -39.03 70.32 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 122.494 1.14 . . . . 0.0 110.74 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -91.14 4.51 52.02 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 117.61 -1.186 . . . . 0.0 112.832 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 57.88 45.42 18.42 Favored 'General case' 0 C--O 1.248 1.001 0 CA-C-N 121.726 2.057 . . . . 0.0 111.25 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.9 mt -88.81 116.19 30.0 Favored 'Isoleucine or valine' 0 C--O 1.27 2.144 0 CA-C-O 115.135 -2.364 . . . . 0.0 106.193 175.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -103.24 169.5 8.51 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 126.067 2.104 . . . . 0.0 109.758 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 142.98 27.18 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.14 1.447 . . . . 0.0 109.266 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.93 19.12 10.65 Favored 'General case' 0 C--O 1.256 1.441 0 N-CA-C 117.841 2.534 . . . . 0.0 117.841 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -71.14 159.59 34.41 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . 0.757 ' HB ' ' CE2' ' B' ' 4' ' ' PHE . 66.2 p -119.1 126.65 52.15 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 118.217 -0.897 . . . . 0.0 108.814 175.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.18 154.54 19.21 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 114.61 -2.614 . . . . 0.0 105.726 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -105.58 135.78 46.37 Favored 'General case' 0 C--N 1.282 -2.332 0 O-C-N 127.709 3.131 . . . . 0.0 105.781 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.09 115.86 30.91 Favored 'General case' 0 C--O 1.283 2.831 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.411 176.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.14 139.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 N-CA-C 103.462 -2.792 . . . . 0.0 103.462 175.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -96.17 -83.43 0.37 Allowed 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.044 0.45 . . . . 0.0 109.849 178.374 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.403 ' CB ' ' HA2' ' C' ' 101' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.524 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.449 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.59 0 CA-C-O 121.635 0.731 . . . . 0.0 110.757 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -89.05 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.558 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.2 -39.54 75.13 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.885 172.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 56.9 t -144.4 136.03 21.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 125.244 1.418 . . . . 0.0 107.447 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.33 148.06 34.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.524 165.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -161.03 155.28 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.307 1.004 . . . . 0.0 111.196 173.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -72.2 127.81 33.72 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-N 114.207 -1.36 . . . . 0.0 112.295 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.411 ' HB3' HG23 ' C' ' 47' ' ' VAL . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.098 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.98 164.8 25.13 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.09 -179.22 3.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . 0.677 ' HG2' ' HB2' ' C' ' 106' ' ' PHE . 0.0 OUTLIER -137.11 161.06 37.15 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . 0.504 ' N ' ' SD ' ' C' ' 31' ' ' MET . 70.2 m -136.65 156.51 48.45 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.112 -1.435 . . . . 0.0 108.804 177.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.64 116.16 28.76 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 177.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -112.41 115.84 29.35 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 172.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.23 -116.0 8.57 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 -169.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.97 14.48 18.45 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.417 -0.392 . . . . 0.0 109.995 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -111.98 122.54 48.04 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.512 HG23 ' O ' ' C' ' 38' ' ' VAL . 34.3 m -76.11 120.0 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.13 119.37 26.49 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.161 -173.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.84 134.83 59.46 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-O 122.383 0.91 . . . . 0.0 111.819 173.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.79 132.17 34.17 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 172.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -11.33 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -172.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.04 144.44 56.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 125.58 26.82 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.24 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.203 1.446 . . . . 0.0 115.337 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.41 124.48 36.38 Favored 'General case' 0 N--CA 1.421 -1.917 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . 0.411 HG23 ' HB3' ' C' ' 28' ' ' ALA . 85.2 t -91.05 137.57 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 164.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -151.9 157.84 42.38 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 122.058 0.932 . . . . 0.0 112.99 175.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 95.3 mt -118.81 131.14 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 113.643 -1.617 . . . . 0.0 108.313 174.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -134.14 137.59 44.62 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.16 122.05 42.38 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.07 171.1 13.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.327 177.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -71.49 -10.5 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.67 -0.812 . . . . 0.0 113.173 -170.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -82.64 7.39 14.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.035 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 19.0 t 73.89 -1.31 3.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.399 1.48 . . . . 0.0 114.755 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.91 149.92 39.29 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.084 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mp -102.26 129.04 54.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.191 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.5 m170 -117.52 125.41 50.8 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -176.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -98.81 118.92 36.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 171.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 81.0 m -127.71 156.89 41.68 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -130.43 128.34 41.12 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.573 -1.649 . . . . 0.0 108.71 169.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -120.75 134.25 55.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.743 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -74.16 115.31 13.5 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.03 -32.39 73.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -176.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 21.6 p -72.55 -46.13 55.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.46 -20.51 21.68 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.516 -176.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.71 60.8 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 119.689 -0.506 . . . . 0.0 113.708 -171.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.5 129.98 39.59 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.646 1.223 . . . . 0.0 113.166 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . 0.401 HG22 ' H ' ' C' ' 69' ' ' VAL . 1.1 m -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -94.55 -28.83 15.21 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.898 -171.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -122.0 135.53 54.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.903 0.859 . . . . 0.0 109.386 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.96 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mt -118.12 123.33 45.32 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.213 -174.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 pp -75.91 124.23 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-O 122.396 1.093 . . . . 0.0 111.725 168.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.402 HD12 ' HG ' ' C' ' 80' ' ' CYS . 26.1 mm -122.97 130.35 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.615 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -101.2 158.96 30.81 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.489 1.118 . . . . 0.0 110.881 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.37 133.9 58.46 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.932 2.421 . . . . 0.0 111.282 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.46 6.81 5.89 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -175.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -70.4 -33.54 71.49 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.05 0.841 . . . . 0.0 109.603 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.402 ' HG ' HD12 ' C' ' 75' ' ' ILE . 0.8 OUTLIER -154.98 168.13 28.02 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.485 -1.286 . . . . 0.0 113.658 -173.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -133.38 139.3 46.71 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 113.515 -1.675 . . . . 0.0 107.003 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -106.73 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.52 156.47 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -67.82 142.87 56.03 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . 0.713 HG21 ' CE2' ' C' ' 106' ' ' PHE . 96.3 t -94.29 98.31 2.86 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 171.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -61.02 -31.96 91.73 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.783 2.186 . . . . 0.0 117.783 -167.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.12 8.65 34.54 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.981 -1.488 . . . . 0.0 112.259 -164.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 78.2 m -85.13 119.68 72.71 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -56.93 -19.93 34.23 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 122.995 0.997 . . . . 0.0 114.427 -173.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -34.69 78.9 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.426 0.557 . . . . 0.0 110.079 177.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.46 13.03 64.78 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.57 -172.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -120.93 17.06 11.76 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.05 133.45 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -125.02 151.76 45.15 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.438 1.711 . . . . 0.0 110.437 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 13.1 p -127.0 135.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 33.5 tp -95.5 108.12 20.33 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.863 -2.273 . . . . 0.0 104.863 169.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -109.23 125.19 51.99 Favored 'General case' 0 CA--C 1.484 -1.559 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -84.84 115.68 22.88 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.127 0.892 . . . . 0.0 109.17 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -63.45 -25.16 68.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.395 -169.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.22 115.1 28.79 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 173.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . 0.564 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 102.0 172.4 27.6 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -172.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.4 9.0 33.52 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.017 -0.696 . . . . 0.0 110.575 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -70.59 129.15 38.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.588 -165.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 141.81 46.14 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.892 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.56 126.15 45.35 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 171.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . 0.713 ' CE2' HG21 ' C' ' 85' ' ' VAL . 1.8 m-85 -100.83 143.72 30.65 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 124.73 1.269 . . . . 0.0 110.362 -177.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -137.08 156.64 48.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.251 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -131.46 126.59 35.42 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.544 -0.863 . . . . 0.0 110.397 174.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.63 137.72 58.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.251 -174.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -118.8 3.81 11.59 Favored 'General case' 0 N--CA 1.428 -1.57 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.292 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -61.21 135.88 93.74 Favored Pre-proline 0 C--O 1.266 1.953 0 CA-C-O 123.068 1.413 . . . . 0.0 108.696 172.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.29 -41.36 42.58 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.567 -1.155 . . . . 0.0 112.44 -174.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 146.9 24.25 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.0 110.532 173.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 10.9 t -83.39 -9.3 59.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.199 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -53.57 -33.83 56.17 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.23 5.91 37.87 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -56.96 -48.78 77.53 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.225 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.77 -32.27 70.68 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.548 -173.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -67.34 -43.98 80.22 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 120.928 0.394 . . . . 0.0 110.96 175.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -55.58 -45.85 77.3 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.003 -1.061 . . . . 0.0 112.398 173.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.62 -43.13 97.85 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.618 0.723 . . . . 0.0 110.297 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -43.53 98.67 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.167 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -42.38 96.71 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 77.5 t -52.31 -51.88 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.446 175.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.27 -39.57 87.27 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.24 -46.07 82.08 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.462 -178.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -78.99 -24.54 43.71 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.298 -174.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 5.7 mp -79.04 -36.14 41.49 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.762 -0.775 . . . . 0.0 112.228 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -110.73 -11.08 14.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -168.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.2 71.84 27.28 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 169.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . 0.569 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 72.4 Cg_exo -51.68 -44.69 42.73 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.597 1.531 . . . . 0.0 111.581 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 73.1 Cg_exo . . . . . 0 C--N 1.29 -2.535 0 C-N-CA 122.554 2.169 . . . . 0.0 111.558 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 106.887 -1.524 . . . . 0.0 106.887 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -91.16 138.29 31.71 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 126.836 2.585 . . . . 0.0 108.88 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.22 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -115.99 140.15 49.55 Favored 'General case' 0 N--CA 1.515 2.802 1 O-C-N 130.567 4.917 . . . . 0.0 108.804 179.565 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.4 t -118.05 114.29 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.602 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -95.19 127.53 41.32 Favored 'General case' 0 N--CA 1.505 2.287 1 O-C-N 129.374 4.172 . . . . 0.0 107.974 -178.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.409 HG22 HD23 ' A' ' 69' ' ' LEU . 69.6 p -99.66 170.71 8.38 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.865 -1.064 . . . . 0.0 109.28 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 mt -73.29 -7.03 49.79 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.095 0.872 . . . . 0.0 112.686 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.56 15.12 29.88 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.544 -2.462 . . . . 0.0 112.024 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.29 16.83 80.12 Favored Glycine 0 C--N 1.298 -1.574 0 O-C-N 120.197 -1.564 . . . . 0.0 116.124 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.58 138.11 34.65 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 174.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.92 131.66 55.28 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 126.607 2.442 . . . . 0.0 105.938 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.57 141.87 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.685 3.116 . . . . 0.0 108.867 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -101.29 139.78 36.5 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 117.142 -1.823 . . . . 0.0 108.251 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.53 154.02 44.4 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 115.507 -2.187 . . . . 0.0 108.24 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -111.75 120.97 43.81 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.226 4.079 . . . . 0.0 103.673 173.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -138.97 170.58 16.0 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 O-C-N 127.549 3.031 . . . . 0.0 111.25 -177.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.87 144.48 37.43 Favored Pre-proline 0 C--N 1.314 -0.943 0 CA-C-N 112.39 -2.186 . . . . 0.0 106.362 174.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -55.03 -24.3 39.34 Favored 'Trans proline' 0 C--N 1.319 -0.974 0 C-N-CA 122.514 2.143 . . . . 0.0 111.93 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.06 -8.12 59.21 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.918 -177.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.0 148.34 47.73 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 117.519 -1.672 . . . . 0.0 109.753 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.7 p -83.7 160.44 21.31 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 175.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.788 HG12 ' HG ' ' A' ' 50' ' ' LEU . 2.0 mp -61.38 -37.11 76.93 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 O-C-N 127.196 2.81 . . . . 0.0 110.236 175.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.57 -40.19 78.4 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.312 -0.867 . . . . 0.0 110.719 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.32 -41.88 80.18 Favored 'General case' 0 C--O 1.262 1.735 0 O-C-N 121.883 -0.51 . . . . 0.0 110.948 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.21 -46.49 88.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 O-C-N 124.446 1.092 . . . . 0.0 109.143 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HE3' HD21 ' A' ' 50' ' ' LEU . 4.1 mmtp -60.82 -37.97 83.82 Favored 'General case' 0 C--O 1.258 1.541 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.697 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.07 87.21 Favored 'General case' 0 C--O 1.277 2.54 0 CA-C-N 118.121 0.419 . . . . 0.0 111.149 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -37.42 87.42 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 123.089 1.423 . . . . 0.0 110.719 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 mt -69.98 -39.52 77.53 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -62.23 -48.79 78.41 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.571 2.605 . . . . 0.0 109.079 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -41.83 65.53 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 113.433 -1.712 . . . . 0.0 111.939 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -93.51 -24.32 18.03 Favored 'General case' 0 C--O 1.28 2.705 0 N-CA-C 117.233 2.309 . . . . 0.0 117.233 -175.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -123.35 -6.53 8.21 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 123.056 2.662 . . . . 0.0 114.292 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.08 5.61 90.0 Favored Glycine 0 CA--C 1.477 -2.287 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 28.8 mm -79.78 124.73 83.28 Favored Pre-proline 0 C--O 1.244 0.812 0 C-N-CA 118.872 -1.131 . . . . 0.0 110.977 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 80.1 Cg_exo -56.88 136.86 78.97 Favored 'Trans proline' 0 C--O 1.258 1.489 0 C-N-CA 123.407 2.738 . . . . 0.0 110.808 178.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.4 Cg_exo -57.19 -31.95 92.07 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 123.006 1.003 . . . . 0.0 113.686 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -15.34 63.51 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 119.851 -1.781 . . . . 0.0 112.188 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.98 -10.27 29.02 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 120.633 -1.292 . . . . 0.0 112.025 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -84.8 129.55 34.8 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 124.334 2.016 . . . . 0.0 115.685 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -121.03 116.11 24.42 Favored 'General case' 0 C--O 1.3 3.725 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 171.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.778 ' CB ' HD22 ' A' ' 50' ' ' LEU . 1.6 tp -103.59 130.24 50.97 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 119.548 1.067 . . . . 0.0 109.913 -177.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mt -121.98 131.79 72.36 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 O-C-N 125.135 1.522 . . . . 0.0 111.869 -177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -144.4 129.58 18.67 Favored 'General case' 0 C--N 1.36 1.047 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.18 19.54 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.197 -2.274 . . . . 0.0 110.696 177.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.41 ' HA3' ' CD2' ' C' ' 98' ' ' PHE . . . 61.51 21.82 60.72 Favored Glycine 0 N--CA 1.431 -1.644 0 C-N-CA 128.759 3.076 . . . . 0.0 117.506 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -115.1 142.78 46.18 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -85.86 130.31 34.58 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 103.753 -2.684 . . . . 0.0 103.753 174.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.897 ' O ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -79.49 138.12 37.45 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 117.649 -1.167 . . . . 0.0 110.22 -175.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -101.71 140.12 36.43 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 125.067 1.48 . . . . 0.0 109.959 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -48.12 -42.42 29.08 Favored 'General case' 0 C--O 1.264 1.83 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.84 85.42 Favored Glycine 0 CA--C 1.49 -1.527 0 N-CA-C 116.191 1.236 . . . . 0.0 116.191 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -85.3 165.32 17.39 Favored 'General case' 0 C--O 1.251 1.133 0 O-C-N 119.73 -2.041 . . . . 0.0 108.09 176.348 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.6 t -104.45 164.83 11.47 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.55 -36.01 79.4 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.429 ' N ' HG23 ' A' ' 55' ' ' THR . 8.3 t -64.13 -29.52 70.64 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.217 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.44 -39.58 70.48 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.451 1.119 . . . . 0.0 110.759 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -90.83 4.72 50.99 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 117.693 -1.146 . . . . 0.0 113.004 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.09 45.27 18.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 121.59 1.996 . . . . 0.0 111.191 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.7 mt -88.8 116.49 30.51 Favored 'Isoleucine or valine' 0 C--O 1.266 1.943 0 CA-C-O 115.187 -2.339 . . . . 0.0 106.227 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.54 169.66 8.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 126.075 2.109 . . . . 0.0 109.334 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -54.91 142.94 27.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 123.256 1.503 . . . . 0.0 109.045 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 67.11 19.1 10.47 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.4 t -71.16 159.51 34.54 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.16 126.81 52.47 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 118.173 -0.918 . . . . 0.0 108.786 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -103.18 154.6 19.15 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.779 -2.534 . . . . 0.0 105.627 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -105.66 135.69 46.62 Favored 'General case' 0 C--N 1.287 -2.125 0 O-C-N 127.287 2.867 . . . . 0.0 105.787 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.409 HD23 HG22 ' A' ' 7' ' ' THR . 43.2 tp -106.81 115.77 30.77 Favored 'General case' 0 C--O 1.286 3.01 0 CA-C-O 117.533 -1.222 . . . . 0.0 111.551 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.12 139.95 28.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 103.538 -2.764 . . . . 0.0 103.538 175.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.06 138.93 32.97 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.191 0.52 . . . . 0.0 109.827 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.278 -2.508 0 CA-C-O 113.21 -3.281 . . . . 0.0 105.539 178.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -91.04 138.45 31.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 127.105 2.753 . . . . 0.0 108.798 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.577 HG23 ' N ' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -131.12 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 CA-C-O 115.75 -2.072 . . . . 0.0 105.841 173.295 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 1.018 ' CE2' ' HB ' ' B' ' 12' ' ' THR . 0.1 OUTLIER -115.93 140.22 49.46 Favored 'General case' 0 N--CA 1.515 2.794 1 O-C-N 130.721 5.013 . . . . 0.0 108.599 179.667 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.738 ' N ' ' CD2' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -117.96 114.12 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-O 113.444 -3.17 . . . . 0.0 105.739 175.498 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.972 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.12 127.6 41.3 Favored 'General case' 0 N--CA 1.502 2.146 1 O-C-N 129.122 4.014 . . . . 0.0 108.153 -178.147 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.813 HG23 ' H ' ' B' ' 9' ' ' THR . 8.3 t -99.54 170.85 8.31 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.38 -7.03 49.93 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.114 0.884 . . . . 0.0 112.864 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.813 ' H ' HG23 ' B' ' 7' ' ' THR . 17.2 m -101.2 14.78 30.88 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 115.673 -2.411 . . . . 0.0 111.929 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.53 16.61 80.1 Favored Glycine 0 C--N 1.296 -1.649 0 O-C-N 120.176 -1.577 . . . . 0.0 116.089 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.421 ' O ' HG22 ' B' ' 7' ' ' THR . 1.0 OUTLIER -96.24 137.87 34.69 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 105.526 -2.027 . . . . 0.0 105.526 174.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 1.018 ' HB ' ' CE2' ' B' ' 4' ' ' PHE . 0.5 OUTLIER -119.86 131.99 55.43 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 126.301 2.251 . . . . 0.0 106.198 176.095 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -109.55 141.73 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 127.706 3.129 . . . . 0.0 109.093 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p -101.13 139.85 36.24 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 116.989 -1.884 . . . . 0.0 108.447 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -126.44 154.07 44.18 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 115.512 -2.185 . . . . 0.0 108.463 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -111.84 121.14 44.25 Favored 'General case' 0 N--CA 1.497 1.891 1 O-C-N 129.224 4.077 . . . . 0.0 103.504 174.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.682 HG21 HD11 ' B' ' 56' ' ' LEU . 2.5 p -139.04 170.58 15.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.296 0 O-C-N 127.732 3.145 . . . . 0.0 111.247 -177.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.546 ' H ' HG22 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -120.01 144.65 38.06 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.098 -2.319 . . . . 0.0 106.346 174.597 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 74.3 Cg_exo -54.94 -24.77 40.85 Favored 'Trans proline' 0 C--N 1.317 -1.085 0 C-N-CA 122.761 2.308 . . . . 0.0 111.516 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.85 -8.24 59.18 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.901 -177.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.93 148.49 47.67 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 117.298 -1.761 . . . . 0.0 109.759 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.83 160.47 21.17 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.693 HG13 HD12 ' B' ' 50' ' ' LEU . 8.2 mm -61.38 -36.8 75.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 126.962 2.664 . . . . 0.0 110.427 175.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.791 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.14 -42.89 77.66 Favored 'General case' 0 C--O 1.252 1.213 0 O-C-N 120.434 -1.416 . . . . 0.0 111.015 176.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.5 -44.47 90.83 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 124.217 1.007 . . . . 0.0 111.366 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.63 -46.29 90.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.81 1.319 . . . . 0.0 108.957 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.804 ' O ' ' NE2' ' B' ' 31' ' ' GLN . 17.0 mttt -60.77 -37.86 83.29 Favored 'General case' 0 C--O 1.255 1.353 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.941 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.651 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -66.4 -37.9 86.27 Favored 'General case' 0 C--O 1.278 2.591 0 O-C-N 123.416 0.447 . . . . 0.0 111.313 176.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -64.06 -37.42 87.36 Favored 'General case' 0 C--O 1.255 1.355 0 O-C-N 120.507 -1.37 . . . . 0.0 110.835 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.512 HD13 HE22 ' B' ' 41' ' ' GLN . 3.5 mt -69.76 -39.74 78.3 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . 1.199 ' OE1' ' O ' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -61.96 -48.77 78.88 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.547 2.594 . . . . 0.0 109.036 179.608 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.33 -41.9 66.19 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.835 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.319 3.1 ttmt -93.49 -24.22 18.08 Favored 'General case' 0 C--O 1.28 2.709 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 -175.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -123.66 -6.24 8.05 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 122.921 2.6 . . . . 0.0 113.778 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.92 5.65 89.96 Favored Glycine 0 CA--C 1.475 -2.45 0 N-CA-C 118.748 2.259 . . . . 0.0 118.748 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 1.199 ' O ' ' OE1' ' B' ' 31' ' ' GLN . 11.8 mt -80.02 125.01 82.68 Favored Pre-proline 0 C--O 1.242 0.683 0 C-N-CA 118.677 -1.209 . . . . 0.0 111.047 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 79.7 Cg_exo -57.08 136.96 79.7 Favored 'Trans proline' 0 C--O 1.256 1.423 0 C-N-CA 122.88 2.387 . . . . 0.0 110.958 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.8 ' HG3' ' HG3' ' B' ' 31' ' ' GLN . 35.8 Cg_exo -57.19 -32.11 92.57 Favored 'Trans proline' 0 C--O 1.262 1.708 0 O-C-N 123.009 1.005 . . . . 0.0 113.38 -179.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -68.35 -15.49 63.58 Favored 'General case' 0 C--O 1.264 1.862 0 O-C-N 120.056 -1.653 . . . . 0.0 112.219 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.791 ' HB3' HD11 ' B' ' 71' ' ' LEU . 2.0 mm100 -95.6 -10.62 29.02 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.378 -1.451 . . . . 0.0 112.16 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . 0.512 HE22 HD13 ' B' ' 30' ' ' ILE . 3.0 mt-30 -84.89 129.61 34.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 124.252 1.977 . . . . 0.0 115.759 -177.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 12.1 mmp_? -121.15 116.24 24.58 Favored 'General case' 0 C--O 1.298 3.63 0 N-CA-C 104.744 -2.317 . . . . 0.0 104.744 172.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mt -103.68 130.29 51.13 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 119.522 1.055 . . . . 0.0 109.964 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.63 ' C ' ' CD2' ' B' ' 45' ' ' PHE . 0.7 OUTLIER -122.04 131.58 72.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 125.077 1.486 . . . . 0.0 112.032 -177.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.774 ' N ' ' CD2' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.28 129.85 19.06 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 105.302 -2.11 . . . . 0.0 105.302 177.429 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.43 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . . . 48.18 45.99 19.77 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 112.051 -2.341 . . . . 0.0 110.62 177.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 20.28 59.59 Favored Glycine 0 C--N 1.297 -1.603 0 C-N-CA 128.263 2.84 . . . . 0.0 117.389 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -109.93 143.83 39.3 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 115.383 -2.246 . . . . 0.0 110.905 174.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -87.21 130.32 34.61 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 103.972 -2.603 . . . . 0.0 103.972 173.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.703 HD23 ' CD2' ' B' ' 45' ' ' PHE . 1.4 mm? -79.49 138.39 37.53 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 117.573 -1.203 . . . . 0.0 110.136 -175.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.92 140.12 36.63 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 125.273 1.608 . . . . 0.0 109.932 -177.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.791 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.4 OUTLIER -48.36 -42.17 30.76 Favored 'General case' 0 C--O 1.264 1.816 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.695 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.0 -8.71 85.36 Favored Glycine 0 N--CA 1.476 1.307 0 N-CA-C 115.967 1.147 . . . . 0.0 115.967 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 165.18 17.32 Favored 'General case' 0 C--O 1.251 1.181 0 O-C-N 120.237 -1.743 . . . . 0.0 108.094 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.9 p -104.24 164.51 11.67 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.682 HD11 HG21 ' B' ' 17' ' ' VAL . 2.1 mt -61.06 -36.53 79.85 Favored 'General case' 0 C--O 1.201 -1.457 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -63.6 -29.85 71.04 Favored 'General case' 0 C--O 1.267 1.981 0 C-N-CA 117.326 -1.75 . . . . 0.0 112.201 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -55.64 -38.95 70.21 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 122.591 1.186 . . . . 0.0 110.812 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.756 ' CZ ' ' HB2' ' B' ' 45' ' ' PHE . 28.4 t80 -91.08 4.35 52.37 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 117.582 -1.199 . . . . 0.0 112.872 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.99 45.41 18.09 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 121.713 2.051 . . . . 0.0 111.261 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.0 OUTLIER -88.83 116.32 30.23 Favored 'Isoleucine or valine' 0 C--O 1.269 2.114 0 CA-C-O 115.065 -2.397 . . . . 0.0 106.302 175.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.37 169.48 8.52 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 126.144 2.153 . . . . 0.0 109.712 -176.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -54.85 142.98 27.29 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 123.225 1.488 . . . . 0.0 109.229 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.07 18.99 10.53 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.447 ' HB3' HD13 ' B' ' 61' ' ' ILE . 7.1 t -71.12 159.58 34.44 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.0 t -119.06 126.6 52.07 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 118.221 -0.895 . . . . 0.0 108.772 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.575 ' HG ' ' HA ' ' B' ' 5' ' ' VAL . 2.5 pp -103.14 154.57 19.16 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.66 -2.59 . . . . 0.0 105.768 175.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -105.65 135.85 46.32 Favored 'General case' 0 C--N 1.282 -2.336 0 O-C-N 127.473 2.983 . . . . 0.0 105.636 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.3 tp -107.15 115.81 30.83 Favored 'General case' 0 C--O 1.284 2.882 0 CA-C-O 117.572 -1.204 . . . . 0.0 111.393 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -108.12 139.94 28.43 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 N-CA-C 103.411 -2.811 . . . . 0.0 103.411 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.11 -83.4 0.37 Allowed 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.15 0.5 . . . . 0.0 109.876 178.325 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.277 -2.546 0 CA-C-O 113.399 -3.191 . . . . 0.0 105.415 179.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.574 0 CA-C-O 121.585 0.707 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -89.12 137.86 31.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.557 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.497 HD23 ' CD2' ' C' ' 127' ' ' TYR . 8.2 mp -70.18 -39.6 75.15 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.603 0.716 . . . . 0.0 111.833 172.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 t -144.37 136.06 21.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.247 1.419 . . . . 0.0 107.472 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -144.37 147.99 34.12 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.603 165.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -160.94 155.29 23.16 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 124.324 1.015 . . . . 0.0 111.257 173.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.27 127.83 33.78 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-N 114.295 -1.32 . . . . 0.0 112.34 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.19 147.66 6.72 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.062 0.934 . . . . 0.0 110.098 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.01 164.84 25.11 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.12 -179.2 3.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . 0.513 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.11 161.11 37.03 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.673 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . 0.513 ' N ' ' HG2' ' C' ' 31' ' ' MET . 5.4 m -136.67 156.41 48.57 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 118.156 -1.418 . . . . 0.0 108.8 177.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 116.14 28.74 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.944 -1.872 . . . . 0.0 105.944 177.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.32 115.83 29.38 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 172.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.22 -116.0 8.57 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.0 14.56 18.43 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.416 -0.392 . . . . 0.0 109.994 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -112.06 122.46 47.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -172.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.508 HG23 ' HG3' ' C' ' 31' ' ' MET . 0.2 OUTLIER -76.11 120.01 25.28 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.747 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -124.05 119.41 26.58 Favored Pre-proline 0 C--O 1.245 0.866 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.141 -173.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.84 59.27 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 CA-C-O 122.309 0.879 . . . . 0.0 111.836 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -85.74 132.11 34.2 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 172.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.88 -11.25 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -172.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 144.5 55.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -173.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -68.12 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 171.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.38 171.26 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.299 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 8.4 tp -128.37 124.41 36.33 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 175.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -91.03 137.64 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 164.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -152.0 157.76 42.15 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.041 0.924 . . . . 0.0 113.017 175.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 82.9 mt -118.8 131.08 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 113.602 -1.636 . . . . 0.0 108.351 174.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.07 137.64 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-N 115.019 -0.992 . . . . 0.0 108.338 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -100.16 122.01 42.33 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.06 171.11 13.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.291 177.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.52 -10.45 59.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.67 -0.812 . . . . 0.0 113.165 -170.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.66 7.45 14.74 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.987 170.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t 73.71 -1.23 3.12 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.505 1.522 . . . . 0.0 114.744 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.84 149.94 39.42 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.116 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 mm -102.21 129.06 54.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.197 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.5 OUTLIER -117.59 125.35 50.62 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -176.488 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . 0.403 ' HB2' HG13 ' C' ' 75' ' ' ILE . 20.4 t80 -98.73 119.0 36.73 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 171.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 14.6 m -127.74 156.94 41.63 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -171.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -130.53 128.33 40.93 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.702 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -120.72 134.36 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.772 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -74.28 115.28 13.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 173.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -64.04 -32.4 73.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -176.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 68.8 p -72.51 -46.13 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -91.39 -20.57 21.67 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.539 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.71 60.93 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-O 119.778 -0.457 . . . . 0.0 113.775 -171.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.57 130.04 39.69 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.606 1.203 . . . . 0.0 113.157 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -84.1 109.07 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 173.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.44 -28.92 15.23 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.946 -171.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.97 135.56 54.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.82 0.819 . . . . 0.0 109.383 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -154.99 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mp -118.08 123.2 45.05 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.296 -174.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.87 124.28 33.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.432 1.111 . . . . 0.0 111.715 168.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.755 ' HB ' HD23 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -122.97 130.43 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.615 -174.36 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.31 158.91 30.88 Favored Pre-proline 0 C--O 1.241 0.652 0 O-C-N 124.463 1.102 . . . . 0.0 110.856 173.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.34 133.92 58.46 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.92 2.413 . . . . 0.0 111.31 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.58 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -70.47 -33.55 71.39 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.038 0.835 . . . . 0.0 109.579 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 20.4 p -154.93 168.16 27.89 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.43 -1.308 . . . . 0.0 113.639 -173.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.45 139.29 46.62 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 113.441 -1.709 . . . . 0.0 107.009 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -106.67 124.16 49.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -148.51 156.46 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.8 142.76 56.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.449 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.15 98.42 2.87 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 171.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.1 -31.96 91.08 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 N-CA-C 117.742 2.17 . . . . 0.0 117.742 -167.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.12 8.66 34.5 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.981 -1.488 . . . . 0.0 112.259 -164.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.09 119.59 72.65 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.83 -19.95 33.64 Favored 'Trans proline' 0 C--N 1.346 0.431 0 O-C-N 122.937 0.967 . . . . 0.0 114.437 -173.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -65.54 -34.52 78.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.383 0.538 . . . . 0.0 110.137 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 12.99 64.73 Favored Glycine 0 CA--C 1.506 -0.492 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.505 -172.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . 0.483 HH11 ' HD3' ' C' ' 92' ' ' ARG . 1.3 mmt180 -120.98 17.13 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 69.7 t -97.05 133.45 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -125.03 151.85 45.05 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.481 1.738 . . . . 0.0 110.408 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 4.5 p -127.06 135.27 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 tp -95.34 108.15 20.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 169.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -109.28 125.16 52.0 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -171.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.41 ' CD2' ' HA3' ' A' ' 47' ' ' GLY . 68.4 m-85 -84.77 115.64 22.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.026 0.828 . . . . 0.0 109.189 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -25.19 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.356 -169.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.24 115.19 28.93 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 173.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . 0.664 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.88 172.48 27.76 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -172.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.38 8.95 33.71 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.047 -0.678 . . . . 0.0 110.482 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -70.66 129.24 38.63 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 141.84 46.21 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.908 175.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 14.6 mt -124.63 126.19 45.35 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . 0.457 ' HB2' ' SD ' ' C' ' 31' ' ' MET . 15.9 m-85 -100.85 143.65 30.76 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 124.718 1.261 . . . . 0.0 110.336 -177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -137.03 156.64 48.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.294 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -131.43 126.59 35.48 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.589 -0.845 . . . . 0.0 110.416 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 5.0 mmt -62.72 137.74 58.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.264 -174.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -118.83 3.97 11.55 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.271 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.34 135.96 93.97 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.146 1.451 . . . . 0.0 108.637 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.3 -41.38 42.32 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 117.611 -1.126 . . . . 0.0 112.363 -174.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 146.95 24.23 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 121.138 0.494 . . . . 0.0 110.479 173.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 80.9 p -83.48 -9.23 59.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.182 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -53.57 -33.82 56.15 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -103.23 5.89 37.86 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -56.87 -48.86 77.14 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.0 -1.08 . . . . 0.0 110.247 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -69.83 -32.22 70.53 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.543 -173.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.27 -44.03 80.34 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -55.65 -45.88 77.56 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.025 -1.047 . . . . 0.0 112.249 173.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 9.6 t -60.61 -43.02 97.92 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.681 0.753 . . . . 0.0 110.336 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -43.51 98.7 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.072 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -64.22 -42.3 96.63 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 11.3 t -52.31 -51.93 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.386 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.3 -39.48 87.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.37 -45.97 81.96 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.453 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . 0.497 ' CD2' HD23 ' C' ' 23' ' ' LEU . 71.7 m-85 -78.98 -24.51 43.76 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.474 -0.89 . . . . 0.0 112.394 -174.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 1.053 HD22 ' O ' ' C' ' 128' ' ' LEU . 0.3 OUTLIER -79.04 -36.06 41.61 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.711 -0.795 . . . . 0.0 112.254 174.518 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . 0.456 ' N ' HD13 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.82 -11.04 14.41 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -168.536 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -141.18 71.81 27.37 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 169.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . 0.561 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 60.2 Cg_exo -52.4 -45.18 41.42 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.59 1.527 . . . . 0.0 111.645 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 92.3 Cg_endo . . . . . 0 C--N 1.289 -2.59 0 C-N-CA 122.426 2.084 . . . . 0.0 111.654 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 CA--C 1.55 0.953 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.07 138.21 31.77 Favored 'General case' 0 C--O 1.264 1.821 0 O-C-N 126.946 2.654 . . . . 0.0 108.968 178.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.551 HG23 ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.28 163.02 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.343 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 173.538 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.551 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -115.99 140.21 49.49 Favored 'General case' 0 N--CA 1.513 2.682 1 O-C-N 130.51 4.881 . . . . 0.0 108.705 179.727 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.5 t -118.14 114.23 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-O 113.426 -3.178 . . . . 0.0 105.578 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -95.19 127.58 41.36 Favored 'General case' 0 N--CA 1.507 2.392 1 O-C-N 129.381 4.176 . . . . 0.0 107.899 -178.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.8 p -99.67 170.72 8.37 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.89 -1.053 . . . . 0.0 109.294 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -7.0 49.7 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.153 0.908 . . . . 0.0 112.656 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.8 p -101.54 15.03 30.17 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.694 -2.403 . . . . 0.0 112.059 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.31 16.76 80.16 Favored Glycine 0 C--N 1.298 -1.54 0 O-C-N 120.159 -1.588 . . . . 0.0 116.106 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 138.1 34.51 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 175.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.01 131.68 55.22 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 126.574 2.421 . . . . 0.0 105.916 176.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.6 141.97 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 127.562 3.039 . . . . 0.0 108.831 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 t -101.4 139.68 36.74 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 117.124 -1.83 . . . . 0.0 108.252 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mp -126.46 154.07 44.21 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 115.384 -2.246 . . . . 0.0 108.303 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -111.86 120.99 43.81 Favored 'General case' 0 N--CA 1.499 1.985 1 O-C-N 129.277 4.11 . . . . 0.0 103.709 173.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.85 170.55 16.15 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 O-C-N 127.467 2.979 . . . . 0.0 111.184 -177.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.958 0 CA-C-N 112.327 -2.215 . . . . 0.0 106.355 174.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -54.99 -24.38 39.37 Favored 'Trans proline' 0 C--N 1.321 -0.883 0 C-N-CA 122.465 2.11 . . . . 0.0 111.967 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -79.92 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.918 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.04 148.4 47.6 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 117.483 -1.687 . . . . 0.0 109.796 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.74 160.45 21.26 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 175.755 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.9 mm -61.38 -37.17 77.07 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 O-C-N 127.18 2.8 . . . . 0.0 110.296 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -40.2 78.21 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.322 -0.861 . . . . 0.0 110.745 177.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -68.19 -42.0 80.59 Favored 'General case' 0 C--O 1.262 1.716 0 O-C-N 121.83 -0.544 . . . . 0.0 110.979 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -46.51 88.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 124.402 1.064 . . . . 0.0 109.141 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.75 -37.9 83.36 Favored 'General case' 0 C--O 1.258 1.536 0 CA-C-O 118.872 -0.585 . . . . 0.0 110.731 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.17 87.4 Favored 'General case' 0 C--O 1.277 2.532 0 CA-C-N 118.186 0.448 . . . . 0.0 111.134 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -64.09 -37.5 87.68 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-O 123.012 1.387 . . . . 0.0 110.666 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.512 HG22 ' CG2' ' A' ' 36' ' ' ILE . 5.4 mt -69.99 -39.45 77.42 Favored 'Isoleucine or valine' 0 C--O 1.251 1.175 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.39 -48.59 79.07 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 125.481 2.563 . . . . 0.0 109.073 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -41.74 65.89 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-N 113.56 -1.655 . . . . 0.0 111.937 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 22.0 tttt -93.6 -24.19 18.01 Favored 'General case' 0 C--O 1.28 2.669 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -175.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -123.44 -6.52 8.16 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.115 2.689 . . . . 0.0 114.278 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.64 89.95 Favored Glycine 0 CA--C 1.479 -2.187 0 N-CA-C 118.811 2.285 . . . . 0.0 118.811 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.512 ' CG2' HG22 ' A' ' 30' ' ' ILE . 9.9 tt -79.78 124.7 83.3 Favored Pre-proline 0 C--O 1.245 0.821 0 C-N-CA 118.891 -1.124 . . . . 0.0 110.898 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 80.0 Cg_exo -56.88 136.91 79.24 Favored 'Trans proline' 0 C--O 1.26 1.597 0 C-N-CA 123.317 2.678 . . . . 0.0 110.804 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.6 Cg_exo -57.25 -31.93 92.16 Favored 'Trans proline' 0 C--O 1.262 1.701 0 O-C-N 123.014 1.007 . . . . 0.0 113.677 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -68.39 -15.39 63.54 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 119.811 -1.805 . . . . 0.0 112.323 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -95.92 -10.36 28.94 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.677 -1.264 . . . . 0.0 112.029 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -84.81 129.58 34.8 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 124.345 2.021 . . . . 0.0 115.749 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -121.04 116.09 24.39 Favored 'General case' 0 C--O 1.3 3.711 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 171.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.0 mt -103.52 130.13 50.85 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 119.535 1.061 . . . . 0.0 110.017 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.425 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -122.02 131.84 72.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 O-C-N 125.229 1.58 . . . . 0.0 111.897 -177.487 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -144.38 129.54 18.65 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.25 46.06 20.01 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.21 -2.268 . . . . 0.0 110.697 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.59 21.72 60.77 Favored Glycine 0 N--CA 1.432 -1.575 0 C-N-CA 128.61 3.005 . . . . 0.0 117.534 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.05 142.8 46.15 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.78 130.29 34.6 Favored 'General case' 0 C--O 1.258 1.546 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 174.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 mt -79.5 138.1 37.43 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 117.67 -1.157 . . . . 0.0 110.212 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -101.67 140.16 36.33 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.103 1.502 . . . . 0.0 110.0 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -47.98 -42.53 28.0 Favored 'General case' 0 C--O 1.264 1.828 0 N-CA-C 120.82 3.637 . . . . 0.0 120.82 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.94 85.38 Favored Glycine 0 CA--C 1.49 -1.507 0 N-CA-C 116.22 1.248 . . . . 0.0 116.22 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -85.36 165.29 17.37 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 119.769 -2.018 . . . . 0.0 108.136 176.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.6 t -104.51 164.86 11.45 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.513 HD22 HD13 ' A' ' 61' ' ' ILE . 10.7 mt -61.63 -35.96 79.4 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -64.15 -29.43 70.55 Favored 'General case' 0 C--O 1.267 2.025 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.251 -179.619 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -39.66 70.64 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.447 1.118 . . . . 0.0 110.643 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -90.75 4.67 50.96 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 117.679 -1.153 . . . . 0.0 112.977 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 m120 58.04 45.2 18.26 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 121.626 2.012 . . . . 0.0 111.22 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.513 HD13 HD22 ' A' ' 56' ' ' LEU . 4.4 mt -88.71 116.53 30.53 Favored 'Isoleucine or valine' 0 C--O 1.267 1.982 0 CA-C-O 115.19 -2.338 . . . . 0.0 106.18 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -103.53 169.61 8.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 126.046 2.091 . . . . 0.0 109.398 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 142.87 27.58 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 123.272 1.51 . . . . 0.0 109.17 -176.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 67.05 19.3 10.52 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 117.96 2.578 . . . . 0.0 117.96 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.22 159.54 34.45 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 174.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.411 ' HB ' HG23 ' B' ' 70' ' ' VAL . 0.9 OUTLIER -119.21 126.82 52.44 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 118.119 -0.943 . . . . 0.0 108.769 175.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mt -103.21 154.6 19.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.669 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.422 ' O ' HG23 ' A' ' 44' ' ' ILE . 2.6 t-80 -105.67 135.62 46.75 Favored 'General case' 0 C--N 1.285 -2.202 0 O-C-N 127.375 2.922 . . . . 0.0 105.875 177.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tt -106.81 115.8 30.82 Favored 'General case' 0 C--O 1.286 2.994 0 CA-C-O 117.591 -1.195 . . . . 0.0 111.464 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.15 139.99 28.29 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 N-CA-C 103.544 -2.762 . . . . 0.0 103.544 175.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.12 138.83 33.17 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.292 0.567 . . . . 0.0 109.74 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.276 2.451 0 CA-C-O 113.146 -3.311 . . . . 0.0 105.574 178.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mmt . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -91.02 138.48 31.57 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 127.135 2.772 . . . . 0.0 108.837 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pp -131.12 163.09 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 CA-C-O 115.844 -2.027 . . . . 0.0 105.883 173.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 1.007 ' CE1' ' HB ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -116.03 140.29 49.41 Favored 'General case' 0 N--CA 1.515 2.784 1 O-C-N 130.579 4.924 . . . . 0.0 108.533 179.763 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.739 ' N ' ' CD1' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -117.99 113.95 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 113.39 -3.195 . . . . 0.0 105.824 175.513 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.822 ' CB ' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.01 127.63 41.21 Favored 'General case' 0 N--CA 1.503 2.215 1 O-C-N 129.186 4.054 . . . . 0.0 108.184 -178.176 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.714 ' H ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.33 -7.0 49.74 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 124.066 0.854 . . . . 0.0 112.81 -178.271 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.2 t -101.24 14.82 30.77 Favored 'General case' 0 N--CA 1.506 2.335 0 C-N-CA 115.697 -2.401 . . . . 0.0 111.974 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.56 16.52 80.16 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 120.224 -1.547 . . . . 0.0 116.084 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 137.97 34.5 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 174.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . 1.007 ' HB ' ' CE1' ' B' ' 4' ' ' PHE . 0.4 OUTLIER -119.98 131.93 55.33 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 126.437 2.335 . . . . 0.0 106.174 176.077 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mp -109.5 141.68 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 127.689 3.118 . . . . 0.0 109.102 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.6 p -101.16 140.0 36.06 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 116.961 -1.896 . . . . 0.0 108.388 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 mt -126.63 153.92 44.69 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 115.501 -2.19 . . . . 0.0 108.343 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.7 121.09 44.18 Favored 'General case' 0 N--CA 1.496 1.848 1 O-C-N 129.249 4.093 . . . . 0.0 103.656 173.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.03 170.64 15.85 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 O-C-N 127.869 3.23 . . . . 0.0 111.237 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.01 144.58 37.9 Favored Pre-proline 0 C--N 1.312 -1.036 0 CA-C-N 112.1 -2.318 . . . . 0.0 106.339 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 24.8 Cg_endo -54.94 -24.65 40.31 Favored 'Trans proline' 0 C--N 1.317 -1.094 0 C-N-CA 122.691 2.26 . . . . 0.0 111.558 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.6 p -79.91 -8.19 59.18 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.931 -177.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.9 148.53 47.67 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 117.38 -1.728 . . . . 0.0 109.735 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.88 160.52 21.11 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 18.0 mm -61.44 -36.77 75.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 126.977 2.673 . . . . 0.0 110.329 175.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.18 -42.87 77.76 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 120.447 -1.408 . . . . 0.0 110.988 176.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -64.5 -44.52 90.68 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.247 1.019 . . . . 0.0 111.405 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -46.3 90.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.86 1.35 . . . . 0.0 109.0 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -60.77 -37.92 83.49 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.826 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.99 86.57 Favored 'General case' 0 C--O 1.278 2.589 0 O-C-N 123.313 0.383 . . . . 0.0 111.309 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -64.01 -37.44 87.44 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 122.992 1.377 . . . . 0.0 110.859 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -39.73 78.45 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.96 -48.81 78.7 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 125.44 2.543 . . . . 0.0 109.041 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.37 -41.86 66.28 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.815 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.321 9.7 mtpt -93.45 -24.24 18.1 Favored 'General case' 0 C--O 1.281 2.732 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -123.68 -6.3 8.04 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 122.958 2.617 . . . . 0.0 113.785 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.59 90.02 Favored Glycine 0 CA--C 1.477 -2.308 0 N-CA-C 118.665 2.226 . . . . 0.0 118.665 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.474 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 36.4 mm -79.83 124.99 83.07 Favored Pre-proline 0 C--O 1.242 0.667 0 C-N-CA 118.749 -1.18 . . . . 0.0 111.044 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 80.5 Cg_exo -57.06 136.99 79.95 Favored 'Trans proline' 0 C--O 1.256 1.424 0 C-N-CA 122.944 2.43 . . . . 0.0 110.895 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.3 Cg_exo -57.26 -32.21 92.99 Favored 'Trans proline' 0 C--O 1.261 1.657 0 O-C-N 123.116 1.061 . . . . 0.0 113.367 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.17 -15.62 63.66 Favored 'General case' 0 C--O 1.264 1.831 0 O-C-N 119.973 -1.704 . . . . 0.0 112.27 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.8 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 6.9 mm-40 -95.47 -10.69 29.11 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.562 -1.337 . . . . 0.0 112.209 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -84.82 129.66 34.78 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 124.27 1.986 . . . . 0.0 115.755 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.413 ' HB2' HG13 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -121.22 116.24 24.53 Favored 'General case' 0 C--O 1.298 3.621 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 172.178 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.65 130.22 51.07 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.457 1.026 . . . . 0.0 109.977 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mm -121.99 131.57 72.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.063 1.477 . . . . 0.0 112.044 -177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.21 129.75 19.04 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.26 45.88 20.06 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 112.042 -2.344 . . . . 0.0 110.622 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.96 20.22 59.82 Favored Glycine 0 C--N 1.298 -1.562 0 C-N-CA 128.22 2.819 . . . . 0.0 117.324 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.91 143.91 39.16 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 115.385 -2.245 . . . . 0.0 110.908 174.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.419 ' CB ' ' HE2' ' C' ' 99' ' ' LYS . 0.9 OUTLIER -87.13 130.32 34.57 Favored 'General case' 0 C--N 1.28 -2.418 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 173.339 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.62 138.42 37.42 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.159 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -101.94 140.0 36.82 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 125.175 1.547 . . . . 0.0 109.884 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.606 ' O ' ' HG3' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -48.13 -42.14 28.45 Favored 'General case' 0 C--O 1.262 1.723 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -175.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.14 -8.67 85.19 Favored Glycine 0 CA--C 1.492 -1.353 0 N-CA-C 115.924 1.13 . . . . 0.0 115.924 -177.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -85.61 165.32 17.13 Favored 'General case' 0 C--O 1.251 1.146 0 O-C-N 120.15 -1.794 . . . . 0.0 108.069 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 76.8 p -104.4 164.52 11.68 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.703 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.5 OUTLIER -61.08 -36.31 79.3 Favored 'General case' 0 C--O 1.201 -1.452 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.213 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -29.65 70.81 Favored 'General case' 0 C--O 1.266 1.954 0 C-N-CA 117.267 -1.773 . . . . 0.0 112.167 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.7 -39.03 70.48 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.548 1.166 . . . . 0.0 110.755 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -91.07 4.44 52.13 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.63 -1.176 . . . . 0.0 112.903 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.6 t30 57.91 45.53 18.15 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 121.77 2.077 . . . . 0.0 111.229 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.703 ' CG2' ' O ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -88.88 116.25 30.14 Favored 'Isoleucine or valine' 0 C--O 1.27 2.142 0 CA-C-O 115.045 -2.407 . . . . 0.0 106.214 175.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.34 169.5 8.51 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 126.144 2.152 . . . . 0.0 109.693 -176.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 143.01 27.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.128 1.442 . . . . 0.0 109.283 -176.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 66.92 19.17 10.64 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.14 159.62 34.35 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -119.1 126.62 52.08 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 118.248 -0.882 . . . . 0.0 108.75 175.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.18 154.56 19.19 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 114.715 -2.564 . . . . 0.0 105.715 174.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -105.61 135.74 46.46 Favored 'General case' 0 C--N 1.283 -2.295 0 O-C-N 127.532 3.02 . . . . 0.0 105.751 177.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.06 115.88 30.95 Favored 'General case' 0 C--O 1.283 2.864 0 CA-C-O 117.626 -1.178 . . . . 0.0 111.424 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.413 HG13 ' HB2' ' B' ' 42' ' ' ARG . 5.5 p -108.2 139.85 28.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 N-CA-C 103.474 -2.788 . . . . 0.0 103.474 175.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.805 HD12 ' C ' ' B' ' 71' ' ' LEU . 0.6 OUTLIER -96.08 -83.43 0.37 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 121.164 0.507 . . . . 0.0 109.805 178.439 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.594 ' N ' ' HG ' ' B' ' 71' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.278 -2.5 0 CA-C-O 113.449 -3.167 . . . . 0.0 105.466 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 tttt . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.629 0.728 . . . . 0.0 110.661 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -89.05 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.558 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.412 ' HG ' ' CD2' ' C' ' 127' ' ' TYR . 0.1 OUTLIER -70.13 -39.69 75.28 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.669 0.747 . . . . 0.0 111.854 172.456 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.427 ' HB ' HG13 ' C' ' 49' ' ' ILE . 0.9 OUTLIER -144.36 136.14 21.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.178 1.391 . . . . 0.0 107.423 -178.193 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -144.34 148.03 34.23 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.59 165.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -161.0 155.25 23.0 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.239 0.962 . . . . 0.0 111.195 173.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.23 127.84 33.8 Favored 'General case' 0 C--O 1.254 1.329 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.32 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . 0.457 ' HB3' HG23 ' C' ' 47' ' ' VAL . . . -166.19 147.75 6.74 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.057 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.83 25.13 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 108.299 -1.92 . . . . 0.0 108.299 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -179.19 3.77 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . 0.794 ' CE ' HG22 ' C' ' 38' ' ' VAL . 0.0 OUTLIER -137.17 161.03 37.27 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 174.662 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . 0.577 ' N ' ' SD ' ' C' ' 31' ' ' MET . 4.7 t -136.64 156.52 48.44 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.039 -1.464 . . . . 0.0 108.773 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.67 116.17 28.77 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 177.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -112.35 115.85 29.41 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 172.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.03 14.52 18.39 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.928 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -111.99 122.45 47.8 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -172.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.794 HG22 ' CE ' ' C' ' 31' ' ' MET . 0.9 OUTLIER -76.04 120.02 25.18 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 174.691 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 41.7 p -124.08 119.39 26.55 Favored Pre-proline 0 C--O 1.244 0.815 0 C-N-CA 122.558 0.343 . . . . 0.0 110.165 -173.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -59.96 134.85 59.19 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 CA-C-O 122.35 0.896 . . . . 0.0 111.792 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.74 132.15 34.19 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.92 -11.3 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -67.01 144.43 56.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -173.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -68.13 125.57 26.8 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 171.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.18 21.61 Favored Glycine 0 C--N 1.316 -0.563 0 CA-C-O 123.169 1.427 . . . . 0.0 115.359 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 11.9 mt -128.39 124.46 36.37 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' C' ' 28' ' ' ALA . 94.5 t -90.93 137.48 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 164.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -151.91 157.75 42.24 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.964 0.888 . . . . 0.0 113.045 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.593 ' HB ' ' HD1' ' C' ' 127' ' ' TYR . 0.7 OUTLIER -118.79 131.1 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 113.575 -1.648 . . . . 0.0 108.33 174.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.64 44.81 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.332 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . 0.518 ' CB ' ' OH ' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -100.14 122.06 42.39 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 170.277 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 62.9 p -84.03 171.16 13.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.33 177.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.62 -10.39 59.7 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.659 -0.816 . . . . 0.0 113.187 -170.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -82.67 7.39 14.94 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.264 -0.174 . . . . 0.0 110.974 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.8 -1.26 3.12 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.474 1.509 . . . . 0.0 114.809 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.89 149.97 39.33 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.204 -0.999 . . . . 0.0 113.087 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.448 HG23 ' CZ ' ' C' ' 127' ' ' TYR . 7.1 mm -102.27 129.18 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.077 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 9.9 m80 -117.7 125.39 50.59 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -176.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . 0.443 ' CE2' HD12 ' C' ' 96' ' ' LEU . 25.8 t80 -98.87 118.97 36.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 171.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . 0.625 ' C ' ' CD1' ' C' ' 61' ' ' TRP . 2.7 m -127.65 156.89 41.61 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -171.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . 0.625 ' CD1' ' C ' ' C' ' 60' ' ' CYS . 0.0 OUTLIER -130.57 128.31 40.82 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 113.533 -1.667 . . . . 0.0 108.646 169.298 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -120.65 134.29 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.775 -176.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -74.22 115.39 13.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -64.08 -32.42 73.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 72.2 p -72.43 -46.23 55.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -175.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 28.6 t -91.44 -20.46 21.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.598 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.74 60.9 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.713 -0.493 . . . . 0.0 113.723 -171.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.47 129.99 39.63 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.656 1.228 . . . . 0.0 113.136 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . 0.401 HG12 ' H ' ' C' ' 69' ' ' VAL . 0.9 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.403 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -94.49 -28.9 15.21 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.924 -171.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . 0.606 ' HB3' ' CD2' ' C' ' 61' ' ' TRP . 7.4 t70 -121.99 135.55 54.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.837 0.827 . . . . 0.0 109.407 177.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -154.98 103.34 2.39 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 mt -118.05 123.23 45.14 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.295 -174.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 21.4 pt -75.87 124.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.391 1.091 . . . . 0.0 111.661 168.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.776 ' HB ' HD23 ' C' ' 128' ' ' LEU . 0.5 OUTLIER -122.97 130.35 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.615 -174.399 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -101.27 158.97 30.78 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.493 1.121 . . . . 0.0 110.89 173.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.22 133.91 58.01 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.962 2.441 . . . . 0.0 111.287 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.41 6.84 5.91 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -175.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.36 -33.64 71.69 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.061 0.846 . . . . 0.0 109.633 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.426 ' HA ' ' HG2' ' C' ' 99' ' ' LYS . 0.6 OUTLIER -154.91 168.16 27.87 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 118.489 -1.284 . . . . 0.0 113.699 -173.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . 0.456 ' HB2' ' HD2' ' C' ' 99' ' ' LYS . 9.0 tp10 -133.45 139.36 46.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.961 -178.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.438 ' HB3' ' CE1' ' C' ' 94' ' ' TYR . 1.4 m-85 -106.77 124.23 49.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 156.44 42.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -67.78 142.81 56.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.416 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . 0.708 ' HB ' HG13 ' C' ' 93' ' ' VAL . 3.5 t -94.17 98.25 2.77 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 171.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -60.97 -31.92 91.89 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 N-CA-C 117.809 2.196 . . . . 0.0 117.809 -167.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -91.14 8.61 34.77 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 117.875 -1.53 . . . . 0.0 112.195 -164.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . 0.544 ' HB2' HG11 ' C' ' 93' ' ' VAL . 10.7 t -85.1 119.63 72.68 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.83 -19.95 33.67 Favored 'Trans proline' 0 C--N 1.346 0.395 0 O-C-N 123.049 1.026 . . . . 0.0 114.462 -173.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -65.51 -34.61 78.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.364 0.529 . . . . 0.0 110.073 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.04 64.88 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.563 -172.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -121.06 17.16 11.66 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . 0.708 HG13 ' HB ' ' C' ' 85' ' ' VAL . 2.5 p -97.08 133.48 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.224 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 173.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . 0.774 ' OH ' ' HB2' ' C' ' 96' ' ' LEU . 0.0 OUTLIER -125.09 151.74 45.28 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.56 1.788 . . . . 0.0 110.412 178.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . 0.648 ' N ' ' CD1' ' C' ' 94' ' ' TYR . 0.8 OUTLIER -126.95 135.28 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.225 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . 0.774 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 6.3 tt -95.34 108.22 20.38 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 169.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . 0.626 ' O ' ' HE3' ' C' ' 99' ' ' LYS . 7.7 mttt -109.3 125.19 52.05 Favored 'General case' 0 CA--C 1.484 -1.587 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -84.77 115.61 22.8 Favored 'General case' 0 C--O 1.241 0.646 0 O-C-N 124.011 0.819 . . . . 0.0 109.283 176.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . 0.626 ' HE3' ' O ' ' C' ' 97' ' ' LYS . 1.6 mmpt? -63.41 -25.13 68.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.395 -169.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.26 115.11 28.79 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.96 172.37 27.64 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -172.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 25.5 t -91.46 9.2 32.86 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.067 -0.667 . . . . 0.0 110.563 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -70.68 129.21 38.54 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.868 -1.533 . . . . 0.0 110.656 -165.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . 0.492 ' C ' HD22 ' C' ' 105' ' ' LEU . 0.0 OUTLIER -135.1 141.7 46.09 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.929 175.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . 0.492 HD22 ' C ' ' C' ' 104' ' ' ARG . 3.0 mm? -124.46 126.22 45.55 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 171.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . 0.748 ' HB2' ' HG2' ' C' ' 31' ' ' MET . 0.9 OUTLIER -100.89 143.69 30.74 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.76 1.287 . . . . 0.0 110.339 -177.55 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . 0.648 ' CD1' ' CE2' ' C' ' 94' ' ' TYR . 4.2 m-85 -137.09 156.72 48.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.307 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -131.47 126.53 35.27 Favored 'General case' 0 N--CA 1.419 -1.995 0 C-N-CA 119.586 -0.846 . . . . 0.0 110.4 175.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 18.2 mmt -62.66 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.205 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -118.92 3.98 11.49 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.64 -1.163 . . . . 0.0 110.315 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.24 135.91 93.79 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.118 1.437 . . . . 0.0 108.71 172.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.34 -41.36 42.19 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.58 -1.147 . . . . 0.0 112.33 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.12 146.93 24.25 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.459 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.3 m -83.48 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.125 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.62 -33.81 56.33 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -169.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.2 5.93 37.98 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -174.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -57.0 -48.77 77.67 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.225 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.78 -32.29 70.69 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.313 -0.955 . . . . 0.0 110.56 -173.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.23 -44.03 80.51 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -55.62 -45.83 77.46 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.025 -1.047 . . . . 0.0 112.322 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . 0.807 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 1.2 m -60.63 -43.07 97.94 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.689 0.756 . . . . 0.0 110.326 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.48 98.77 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.129 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -64.22 -42.38 96.6 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . 0.807 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 6.1 m -52.27 -51.9 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.457 175.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . 0.42 ' N ' HG23 ' C' ' 124' ' ' VAL . 0.5 OUTLIER -60.33 -39.49 87.24 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.771 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.29 -46.1 81.77 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.373 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . 0.593 ' HD1' ' HB ' ' C' ' 49' ' ' ILE . 11.4 t80 -79.04 -24.47 43.58 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.421 -0.912 . . . . 0.0 112.35 -174.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 1.026 HD22 ' O ' ' C' ' 128' ' ' LEU . 0.0 OUTLIER -78.97 -36.09 41.99 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.317 174.462 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . 0.839 ' N ' HD13 ' C' ' 128' ' ' LEU . 0.0 OUTLIER -110.8 -11.09 14.42 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -168.573 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -141.17 71.87 27.4 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 169.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.05 168.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.635 1.557 . . . . 0.0 111.584 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo . . . . . 0 C--N 1.29 -2.534 0 C-N-CA 122.566 2.177 . . . . 0.0 111.625 179.644 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 CA--C 1.549 0.92 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -91.05 138.16 31.81 Favored 'General case' 0 C--O 1.264 1.829 0 O-C-N 126.923 2.64 . . . . 0.0 108.933 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.793 HD11 HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -131.19 163.08 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 173.466 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.525 ' N ' HG23 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -115.95 140.25 49.43 Favored 'General case' 0 N--CA 1.515 2.779 1 O-C-N 130.671 4.982 . . . . 0.0 108.726 179.623 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.9 t -118.1 114.21 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.594 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 127.59 41.34 Favored 'General case' 0 N--CA 1.507 2.388 1 O-C-N 129.358 4.161 . . . . 0.0 107.925 -178.121 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 11' ' ' LYS . 9.0 t -99.61 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.85 -1.072 . . . . 0.0 109.402 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mt -73.41 -7.04 50.04 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.084 0.865 . . . . 0.0 112.638 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.56 ' H ' HG23 ' A' ' 7' ' ' THR . 0.8 OUTLIER -101.53 15.19 29.67 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.675 -2.41 . . . . 0.0 112.013 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.77 80.23 Favored Glycine 0 C--N 1.298 -1.562 0 O-C-N 120.262 -1.524 . . . . 0.0 116.098 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.669 ' O ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -96.55 138.06 34.69 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 174.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -119.95 131.64 55.25 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.655 2.472 . . . . 0.0 105.964 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.55 141.98 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 127.546 3.029 . . . . 0.0 108.912 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 t -101.49 139.8 36.65 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 117.114 -1.835 . . . . 0.0 108.118 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.79 HD12 ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -126.51 154.01 44.37 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 115.392 -2.242 . . . . 0.0 108.261 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -111.88 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.952 1 O-C-N 129.286 4.116 . . . . 0.0 103.687 173.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -138.94 170.61 15.98 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 O-C-N 127.614 3.071 . . . . 0.0 111.267 -177.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 17' ' ' VAL . 8.1 mm-40 -119.91 144.51 37.57 Favored Pre-proline 0 C--N 1.315 -0.93 0 CA-C-N 112.4 -2.182 . . . . 0.0 106.371 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -54.98 -24.37 39.3 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.6 2.2 . . . . 0.0 111.968 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -8.18 59.19 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.931 -177.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.0 148.35 47.72 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 117.404 -1.718 . . . . 0.0 109.851 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.66 160.47 21.34 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 175.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.655 HD13 ' O ' ' A' ' 51' ' ' GLU . 1.8 mt -61.42 -37.05 76.84 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 O-C-N 127.158 2.786 . . . . 0.0 110.224 175.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -40.15 78.49 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.273 -0.892 . . . . 0.0 110.729 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.34 -41.9 80.07 Favored 'General case' 0 C--O 1.262 1.724 0 O-C-N 121.955 -0.466 . . . . 0.0 110.964 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -46.4 88.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 124.445 1.091 . . . . 0.0 109.234 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -60.9 -37.87 83.73 Favored 'General case' 0 C--O 1.258 1.503 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.711 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.02 86.93 Favored 'General case' 0 C--O 1.278 2.555 0 CA-C-N 118.14 0.427 . . . . 0.0 111.107 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.79 ' HG2' HD12 ' A' ' 15' ' ' LEU . 3.8 tptt -64.22 -37.37 87.21 Favored 'General case' 0 C--O 1.254 1.321 0 O-C-N 120.391 -1.443 . . . . 0.0 110.738 176.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.9 mt -70.07 -39.54 77.33 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -48.74 78.65 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 125.524 2.583 . . . . 0.0 109.13 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -41.79 65.6 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 113.461 -1.699 . . . . 0.0 111.881 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 22.6 tttm -93.65 -24.14 17.99 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -175.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -123.43 -6.47 8.17 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.072 2.669 . . . . 0.0 114.258 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.61 90.01 Favored Glycine 0 CA--C 1.478 -2.264 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.483 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 31.7 mm -79.78 124.74 83.28 Favored Pre-proline 0 C--O 1.244 0.768 0 C-N-CA 118.839 -1.144 . . . . 0.0 110.93 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.6 Cg_exo -56.96 136.8 78.78 Favored 'Trans proline' 0 C--O 1.259 1.528 0 C-N-CA 123.208 2.605 . . . . 0.0 110.846 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -57.09 -31.94 91.82 Favored 'Trans proline' 0 C--O 1.262 1.709 0 O-C-N 122.975 0.987 . . . . 0.0 113.674 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.39 -15.41 63.54 Favored 'General case' 0 C--O 1.263 1.784 0 O-C-N 119.938 -1.726 . . . . 0.0 112.263 -177.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -96.01 -10.23 29.06 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 120.544 -1.348 . . . . 0.0 112.064 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -84.85 129.61 34.79 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 124.39 2.043 . . . . 0.0 115.745 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.08 116.08 24.34 Favored 'General case' 0 C--O 1.299 3.663 0 N-CA-C 104.998 -2.223 . . . . 0.0 104.998 171.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.57 130.18 50.93 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 119.436 1.016 . . . . 0.0 109.883 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.497 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -122.02 131.87 72.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.125 1.516 . . . . 0.0 111.877 -177.559 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -144.38 129.55 18.67 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 46.05 19.82 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 112.207 -2.269 . . . . 0.0 110.746 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.72 60.99 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.614 3.007 . . . . 0.0 117.468 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.12 142.8 46.15 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 177.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.82 130.3 34.59 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 103.795 -2.668 . . . . 0.0 103.795 174.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HB3' HG12 ' A' ' 23' ' ' ILE . 3.8 mt -79.53 138.09 37.39 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.213 -175.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.655 ' O ' HD13 ' A' ' 23' ' ' ILE . 52.3 mm-40 -101.74 140.05 36.56 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 125.16 1.537 . . . . 0.0 109.907 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -47.92 -42.52 27.41 Favored 'General case' 0 C--O 1.263 1.802 0 N-CA-C 120.762 3.616 . . . . 0.0 120.762 -175.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.65 -8.99 85.3 Favored Glycine 0 CA--C 1.491 -1.44 0 N-CA-C 116.183 1.233 . . . . 0.0 116.183 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.428 ' O ' HD12 ' A' ' 23' ' ' ILE . 3.1 mmt85 -85.37 165.42 17.25 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.751 -2.029 . . . . 0.0 108.007 176.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 29.2 p -104.54 164.91 11.42 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 177.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -36.09 79.67 Favored 'General case' 0 C--O 1.202 -1.435 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -29.55 70.68 Favored 'General case' 0 C--O 1.267 1.992 0 C-N-CA 117.366 -1.734 . . . . 0.0 112.197 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -55.52 -39.56 70.67 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 122.416 1.103 . . . . 0.0 110.698 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -90.74 4.55 51.27 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 117.712 -1.137 . . . . 0.0 113.011 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 58.11 45.25 17.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 121.596 1.998 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.793 HG22 HD11 ' A' ' 3' ' ' ILE . 7.9 mt -88.79 116.64 30.76 Favored 'Isoleucine or valine' 0 C--O 1.266 1.935 0 CA-C-O 115.185 -2.341 . . . . 0.0 106.144 175.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -103.61 169.66 8.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 126.148 2.155 . . . . 0.0 109.381 -176.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.93 27.66 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.238 1.494 . . . . 0.0 109.014 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.09 19.06 10.51 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 117.963 2.579 . . . . 0.0 117.963 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m -71.13 159.6 34.39 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 174.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.474 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.9 OUTLIER -119.14 126.75 52.33 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 118.128 -0.939 . . . . 0.0 108.836 175.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -103.2 154.62 19.14 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.821 -2.514 . . . . 0.0 105.62 175.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.408 ' O ' HG23 ' A' ' 44' ' ' ILE . 5.8 t-160 -105.66 135.73 46.54 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 127.385 2.928 . . . . 0.0 105.833 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.86 115.74 30.71 Favored 'General case' 0 C--O 1.286 2.992 0 CA-C-O 117.641 -1.171 . . . . 0.0 111.496 176.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.8 t -108.08 139.94 28.39 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.07 138.85 33.1 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.309 0.576 . . . . 0.0 109.824 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? . . . . . 0 C--N 1.279 -2.494 0 CA-C-O 113.134 -3.317 . . . . 0.0 105.625 178.552 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -90.9 138.42 31.61 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 127.102 2.751 . . . . 0.0 108.828 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -131.09 163.09 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 CA-C-O 115.787 -2.054 . . . . 0.0 105.92 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -115.94 140.11 49.57 Favored 'General case' 0 N--CA 1.515 2.811 1 O-C-N 130.65 4.969 . . . . 0.0 108.58 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.1 t -117.9 114.11 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 CA-C-O 113.364 -3.207 . . . . 0.0 105.864 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.16 127.61 41.34 Favored 'General case' 0 N--CA 1.503 2.178 1 O-C-N 129.26 4.1 . . . . 0.0 108.13 -178.054 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.57 170.9 8.27 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.267 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.566 HD21 ' HA ' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -73.4 -6.99 49.76 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 124.12 0.887 . . . . 0.0 112.895 -178.306 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -101.2 14.71 31.1 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 115.693 -2.403 . . . . 0.0 111.924 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.51 16.72 79.99 Favored Glycine 0 C--N 1.295 -1.708 0 O-C-N 120.235 -1.541 . . . . 0.0 116.01 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -96.34 137.96 34.65 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.91 132.01 55.4 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 126.439 2.337 . . . . 0.0 106.154 176.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.408 HD13 HG21 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -109.54 141.79 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 127.764 3.165 . . . . 0.0 109.113 179.764 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -101.21 139.85 36.32 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 117.026 -1.869 . . . . 0.0 108.37 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -126.46 154.14 44.11 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 115.554 -2.165 . . . . 0.0 108.354 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -111.86 121.17 44.33 Favored 'General case' 0 N--CA 1.496 1.858 1 O-C-N 129.196 4.06 . . . . 0.0 103.511 174.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.4 m -139.07 170.69 15.74 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 O-C-N 127.815 3.197 . . . . 0.0 111.184 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.1 144.64 38.19 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.05 -2.341 . . . . 0.0 106.332 174.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.0 -24.75 41.2 Favored 'Trans proline' 0 C--N 1.317 -1.11 0 C-N-CA 122.636 2.224 . . . . 0.0 111.52 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 25.1 t -79.87 -8.07 59.09 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.91 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -71.05 148.52 47.47 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 117.366 -1.734 . . . . 0.0 109.707 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.8 160.58 21.18 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 175.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.662 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.4 mp -61.45 -36.87 75.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 O-C-N 126.925 2.641 . . . . 0.0 110.462 175.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.11 -42.83 77.46 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.468 -1.395 . . . . 0.0 111.017 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.61 -44.49 90.41 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 124.224 1.009 . . . . 0.0 111.329 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -58.69 -46.16 90.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 124.831 1.332 . . . . 0.0 108.945 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -60.81 -37.92 83.63 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.856 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.07 86.91 Favored 'General case' 0 C--O 1.278 2.555 0 O-C-N 123.365 0.416 . . . . 0.0 111.302 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -64.01 -37.38 87.21 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 120.485 -1.384 . . . . 0.0 110.843 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.72 -39.77 78.42 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -61.94 -48.77 78.92 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.614 2.626 . . . . 0.0 109.044 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -41.71 66.59 Favored 'General case' 0 C--O 1.257 1.452 0 CA-C-N 113.613 -1.631 . . . . 0.0 111.866 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 21.5 tttt -93.35 -24.43 18.1 Favored 'General case' 0 C--O 1.28 2.684 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -175.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.65 -6.24 8.06 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 122.986 2.63 . . . . 0.0 113.8 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.58 90.06 Favored Glycine 0 CA--C 1.476 -2.391 0 N-CA-C 118.817 2.287 . . . . 0.0 118.817 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.629 HG23 ' CD ' ' B' ' 40' ' ' GLN . 1.3 mp -79.83 125.09 82.88 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 118.674 -1.21 . . . . 0.0 111.016 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.517 ' HD2' ' NE2' ' B' ' 40' ' ' GLN . 82.8 Cg_exo -57.23 137.07 80.06 Favored 'Trans proline' 0 C--O 1.255 1.371 0 C-N-CA 122.959 2.439 . . . . 0.0 110.86 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.4 Cg_exo -57.27 -32.21 93.03 Favored 'Trans proline' 0 C--O 1.262 1.69 0 O-C-N 123.056 1.029 . . . . 0.0 113.343 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -68.29 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 120.002 -1.686 . . . . 0.0 112.244 -177.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.643 ' HB2' HD21 ' B' ' 71' ' ' LEU . 0.7 OUTLIER -95.54 -10.56 29.32 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.571 -1.331 . . . . 0.0 112.305 178.399 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -84.92 129.69 34.76 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 124.259 1.98 . . . . 0.0 115.763 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.608 ' HB3' HG13 ' B' ' 70' ' ' VAL . 3.9 tpm_? -121.17 116.26 24.61 Favored 'General case' 0 C--O 1.298 3.657 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 172.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.67 130.25 51.12 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 119.432 1.015 . . . . 0.0 110.077 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.409 HD11 ' O ' ' C' ' 99' ' ' LYS . 1.8 mm -122.02 131.53 72.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 O-C-N 125.088 1.493 . . . . 0.0 112.002 -177.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.439 ' CD2' HD12 ' B' ' 67' ' ' LEU . 16.2 t80 -144.18 129.78 19.1 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 45.91 19.8 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 112.052 -2.34 . . . . 0.0 110.719 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.93 20.19 59.73 Favored Glycine 0 C--N 1.3 -1.456 0 C-N-CA 128.249 2.833 . . . . 0.0 117.315 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -109.87 143.86 39.18 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 115.425 -2.226 . . . . 0.0 110.877 174.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -87.18 130.32 34.59 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 104.045 -2.576 . . . . 0.0 104.045 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.54 138.4 37.48 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 117.602 -1.189 . . . . 0.0 110.11 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.662 ' O ' HD13 ' B' ' 23' ' ' ILE . 4.8 tt0 -101.89 139.98 36.79 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 125.261 1.6 . . . . 0.0 109.948 -177.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -42.04 29.24 Favored 'General case' 0 C--O 1.263 1.781 0 N-CA-C 120.768 3.618 . . . . 0.0 120.768 -175.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.19 -8.56 85.25 Favored Glycine 0 CA--C 1.492 -1.352 0 N-CA-C 116.019 1.168 . . . . 0.0 116.019 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.579 ' O ' HD12 ' B' ' 23' ' ' ILE . 2.6 mmt85 -85.68 165.24 17.14 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.091 -1.829 . . . . 0.0 107.932 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.2 p -104.27 164.49 11.69 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 176.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.09 -36.4 79.58 Favored 'General case' 0 C--O 1.2 -1.501 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -63.59 -29.81 71.01 Favored 'General case' 0 C--O 1.266 1.962 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.265 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.55 -39.17 70.25 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.633 1.206 . . . . 0.0 110.824 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -91.05 4.5 51.95 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 117.598 -1.192 . . . . 0.0 112.92 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 t30 57.97 45.37 18.22 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 121.673 2.033 . . . . 0.0 111.232 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -88.75 116.26 30.09 Favored 'Isoleucine or valine' 0 C--O 1.27 2.152 0 CA-C-O 115.063 -2.399 . . . . 0.0 106.237 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.39 169.54 8.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 126.106 2.129 . . . . 0.0 109.768 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -54.91 142.95 27.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 123.221 1.486 . . . . 0.0 109.249 -176.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 67.04 19.08 10.56 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.03 159.56 34.52 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.9 m -118.97 126.6 52.13 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 118.229 -0.891 . . . . 0.0 108.817 175.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.439 HD12 ' CD2' ' B' ' 45' ' ' PHE . 5.4 mp -103.2 154.55 19.21 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 114.69 -2.576 . . . . 0.0 105.721 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -105.66 135.71 46.59 Favored 'General case' 0 C--N 1.283 -2.313 0 O-C-N 127.54 3.025 . . . . 0.0 105.677 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.11 115.85 30.89 Favored 'General case' 0 C--O 1.284 2.887 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.428 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.608 HG13 ' HB3' ' B' ' 42' ' ' ARG . 0.2 OUTLIER -108.12 140.0 28.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 103.404 -2.813 . . . . 0.0 103.404 175.264 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.649 ' C ' HD23 ' B' ' 71' ' ' LEU . 3.3 tt -96.15 -83.61 0.37 Allowed 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.132 0.492 . . . . 0.0 109.743 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.542 0 CA-C-O 113.473 -3.156 . . . . 0.0 105.43 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.601 0.715 . . . . 0.0 110.726 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -89.02 137.86 31.93 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.591 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' C' ' 127' ' ' TYR . 4.6 mt -70.18 -39.6 75.15 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.646 0.736 . . . . 0.0 111.833 172.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 t -144.34 136.07 21.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.246 1.418 . . . . 0.0 107.483 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.36 148.0 34.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.527 165.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -161.01 155.2 22.89 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.296 0.997 . . . . 0.0 111.213 173.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -72.21 127.79 33.66 Favored 'General case' 0 C--O 1.254 1.329 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.365 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.15 147.66 6.77 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.126 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.97 164.82 25.16 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 -179.16 3.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . 0.727 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.1 mpt? -137.15 161.08 37.13 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -136.68 156.58 48.35 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 118.045 -1.462 . . . . 0.0 108.773 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.24 -116.0 8.56 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.06 14.57 18.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.394 -0.403 . . . . 0.0 109.914 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 54.5 m -112.05 122.53 48.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 12.9 t -76.13 120.06 25.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.13 119.37 26.49 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.147 -173.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . 0.727 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 31.8 Cg_exo -59.92 134.79 58.95 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 117.937 -0.909 . . . . 0.0 111.907 173.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -85.7 132.2 34.19 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 172.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -11.33 59.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -172.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -67.0 144.44 56.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -173.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 125.58 26.83 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 171.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . 0.447 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.34 171.24 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.205 1.447 . . . . 0.0 115.321 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.43 124.4 36.14 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 175.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 t -91.04 137.56 21.48 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.095 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 164.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -151.88 157.84 42.4 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 122.025 0.917 . . . . 0.0 113.009 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 16.2 mt -118.87 131.01 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.396 174.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.97 137.6 44.91 Favored 'General case' 0 CA--C 1.495 -1.137 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -178.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -100.18 122.04 42.38 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 170.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 8.7 p -84.05 171.11 13.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.235 0.54 . . . . 0.0 111.314 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -71.46 -10.54 59.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -170.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -82.68 7.41 14.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.43 0.157 . . . . 0.0 110.99 171.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p 73.83 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.483 1.513 . . . . 0.0 114.684 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . 0.702 ' HB3' HD13 ' C' ' 74' ' ' ILE . 17.6 mt -74.89 149.9 39.35 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 119.216 -0.994 . . . . 0.0 113.107 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.58 ' O ' HD12 ' C' ' 74' ' ' ILE . 5.8 mm -102.2 129.08 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.122 -177.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.59 125.3 50.54 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -176.515 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -98.8 118.95 36.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 171.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 92.9 m -127.59 156.84 41.62 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 113.577 0.955 . . . . 0.0 113.577 -171.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.53 128.32 40.9 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.668 169.241 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.66 134.34 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.745 -176.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -74.23 115.27 13.54 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -63.96 -32.46 74.0 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -176.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -46.26 55.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -175.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.37 -20.52 21.74 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.536 -176.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.57 2.65 60.71 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.721 -0.489 . . . . 0.0 113.74 -171.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -72.44 130.0 39.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.734 1.267 . . . . 0.0 113.195 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 99.4 t -84.17 109.11 17.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -94.45 -28.91 15.23 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.736 -0.786 . . . . 0.0 111.01 -171.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.02 135.53 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.877 0.846 . . . . 0.0 109.386 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.96 103.38 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.11 123.26 45.15 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.282 -174.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' C' ' 56' ' ' LEU . 1.3 tp -75.83 124.29 33.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.441 1.115 . . . . 0.0 111.694 168.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.614 HG21 ' HG ' ' C' ' 128' ' ' LEU . 1.0 OUTLIER -122.93 130.33 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.365 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.641 -174.409 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.29 158.99 30.73 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.441 1.088 . . . . 0.0 110.89 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.22 133.85 57.69 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.91 2.407 . . . . 0.0 111.334 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.43 6.91 5.94 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 44' ' ' ILE . 1.2 m-20 -70.45 -33.61 71.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.028 0.831 . . . . 0.0 109.563 176.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 23.3 p -154.88 168.16 27.85 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.54 -1.264 . . . . 0.0 113.699 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -133.49 139.29 46.58 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.954 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -106.67 124.21 49.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.6 156.39 42.34 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -177.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -67.67 142.87 56.23 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.416 177.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 77.0 t -94.37 98.37 2.94 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 171.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -61.04 -31.88 91.47 Favored 'Trans proline' 0 N--CA 1.476 0.49 0 N-CA-C 117.853 2.213 . . . . 0.0 117.853 -167.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -91.12 8.6 34.8 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.933 -1.507 . . . . 0.0 112.203 -164.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 24.2 m -85.07 119.62 72.7 Favored Pre-proline 0 CA--C 1.516 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.94 -19.85 33.95 Favored 'Trans proline' 0 C--N 1.347 0.462 0 O-C-N 123.01 1.005 . . . . 0.0 114.451 -173.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 85.7 p -65.53 -34.62 78.68 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.394 0.543 . . . . 0.0 110.07 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.0 64.83 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.563 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -120.98 17.08 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -96.92 133.42 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 173.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -125.03 151.8 45.11 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 125.56 1.788 . . . . 0.0 110.381 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.08 135.4 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -95.44 108.1 20.29 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 169.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.2 125.19 51.96 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -171.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.81 115.68 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.182 0.926 . . . . 0.0 109.205 176.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . 0.409 ' O ' HD11 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.39 -25.21 68.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.371 -169.61 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.23 115.17 28.91 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . 0.475 ' H ' HG21 ' B' ' 70' ' ' VAL . . . 101.86 172.46 27.78 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -172.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.3 p -91.37 8.94 33.73 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.99 -0.712 . . . . 0.0 110.55 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -70.66 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.01 141.83 46.29 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.946 175.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.62 126.2 45.38 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 171.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . 0.427 ' CB ' ' SD ' ' C' ' 31' ' ' MET . 75.4 m-85 -100.92 143.74 30.71 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 124.698 1.249 . . . . 0.0 110.301 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -137.12 156.69 48.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.203 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.4 126.58 35.52 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.41 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.58 137.72 58.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.259 -174.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -118.86 3.99 11.53 Favored 'General case' 0 N--CA 1.429 -1.519 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.289 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -61.22 135.88 93.74 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.128 1.442 . . . . 0.0 108.655 172.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -61.28 -41.33 42.87 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.604 -1.13 . . . . 0.0 112.466 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -96.18 146.96 24.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.475 173.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.0 t -83.47 -9.28 59.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.131 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.53 -33.82 55.92 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -103.28 5.99 37.78 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -174.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -56.96 -48.78 77.53 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 118.955 -1.098 . . . . 0.0 110.327 -177.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -69.76 -32.25 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.43 -0.908 . . . . 0.0 110.576 -173.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -44.1 79.99 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.923 0.392 . . . . 0.0 110.885 175.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -55.49 -45.93 76.98 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.021 -1.05 . . . . 0.0 112.37 173.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.56 -43.1 97.65 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.63 0.729 . . . . 0.0 110.293 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -62.01 -43.37 98.98 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.101 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -42.28 96.49 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 40.8 t -52.27 -51.94 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.448 175.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.33 -39.5 87.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.21 -46.1 82.05 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.51 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . 0.496 ' CE1' HD22 ' C' ' 23' ' ' LEU . 41.1 m-85 -78.95 -24.4 43.94 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 119.495 -0.882 . . . . 0.0 112.44 -174.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.614 ' HG ' HG21 ' C' ' 75' ' ' ILE . 7.1 mp -79.09 -36.17 41.2 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 119.782 -0.767 . . . . 0.0 112.245 174.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -110.71 -11.11 14.44 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -168.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -141.17 71.95 27.34 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 169.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -81.31 170.43 14.78 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 121.594 1.53 . . . . 0.0 111.624 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo . . . . . 0 C--N 1.29 -2.524 0 C-N-CA 122.431 2.087 . . . . 0.0 111.636 179.866 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtp . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 106.868 -1.531 . . . . 0.0 106.868 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -91.21 138.22 31.76 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 126.875 2.609 . . . . 0.0 108.767 178.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.523 HG23 ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.24 163.01 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.398 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.462 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.523 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -115.91 140.26 49.42 Favored 'General case' 0 N--CA 1.514 2.743 1 O-C-N 130.605 4.941 . . . . 0.0 108.81 179.602 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.11 114.17 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-O 113.399 -3.191 . . . . 0.0 105.601 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.18 127.57 41.33 Favored 'General case' 0 N--CA 1.507 2.379 1 O-C-N 129.371 4.169 . . . . 0.0 107.922 -178.123 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.59 170.82 8.33 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.358 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.422 HD11 HG23 ' A' ' 70' ' ' VAL . 60.9 mt -73.37 -7.01 49.86 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.057 0.848 . . . . 0.0 112.708 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.8 p -101.53 15.12 29.87 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 115.673 -2.411 . . . . 0.0 112.048 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.25 16.72 80.26 Favored Glycine 0 C--N 1.298 -1.567 0 O-C-N 120.222 -1.548 . . . . 0.0 116.146 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.5 138.1 34.59 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 175.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.9 131.72 55.32 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 126.605 2.441 . . . . 0.0 105.895 176.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.451 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -109.59 141.91 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 127.666 3.104 . . . . 0.0 108.851 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 t -101.45 139.65 36.82 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.144 -1.822 . . . . 0.0 108.184 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.34 153.99 44.13 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 115.329 -2.272 . . . . 0.0 108.394 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.82 121.13 44.22 Favored 'General case' 0 N--CA 1.498 1.974 1 O-C-N 129.252 4.095 . . . . 0.0 103.666 173.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.06 170.55 15.94 Favored 'Isoleucine or valine' 0 C--O 1.255 1.379 0 O-C-N 127.568 3.042 . . . . 0.0 111.203 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -119.92 144.49 37.54 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 112.382 -2.19 . . . . 0.0 106.355 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -54.96 -24.31 38.85 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 122.476 2.117 . . . . 0.0 111.973 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 p -80.04 -8.09 59.19 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 117.949 -1.025 . . . . 0.0 110.862 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.08 148.43 47.5 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 117.393 -1.723 . . . . 0.0 109.851 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.76 160.58 21.22 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 22.7 mm -61.6 -36.95 76.59 Favored 'Isoleucine or valine' 0 C--O 1.246 0.897 0 O-C-N 127.265 2.853 . . . . 0.0 110.244 175.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.56 -40.18 78.34 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.297 -0.877 . . . . 0.0 110.783 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.33 -41.92 80.07 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 121.847 -0.533 . . . . 0.0 110.939 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.2 -46.44 88.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.377 1.048 . . . . 0.0 109.148 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -60.82 -37.91 83.63 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.726 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.95 86.53 Favored 'General case' 0 C--O 1.277 2.538 0 CA-C-N 118.088 0.404 . . . . 0.0 111.104 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -37.55 87.84 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 120.375 -1.453 . . . . 0.0 110.716 175.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.7 mt -69.94 -39.57 77.67 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -48.76 78.54 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 125.551 2.596 . . . . 0.0 109.112 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -41.75 65.32 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 113.46 -1.7 . . . . 0.0 111.987 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.451 ' HD3' HD12 ' A' ' 13' ' ' ILE 0.315 0.8 OUTLIER -93.65 -24.25 17.96 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.172 2.286 . . . . 0.0 117.172 -175.857 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -123.42 -6.42 8.18 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 123.082 2.674 . . . . 0.0 114.209 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.06 5.72 89.94 Favored Glycine 0 CA--C 1.478 -2.236 0 N-CA-C 118.87 2.308 . . . . 0.0 118.87 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.486 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 3.3 mt -79.84 124.66 83.21 Favored Pre-proline 0 C--O 1.244 0.77 0 C-N-CA 118.93 -1.108 . . . . 0.0 110.947 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.7 Cg_exo -56.9 136.75 78.38 Favored 'Trans proline' 0 C--O 1.259 1.525 0 C-N-CA 123.369 2.713 . . . . 0.0 110.809 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -57.1 -31.95 91.84 Favored 'Trans proline' 0 C--O 1.263 1.729 0 O-C-N 123.013 1.007 . . . . 0.0 113.686 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.44 -15.33 63.51 Favored 'General case' 0 C--O 1.261 1.698 0 O-C-N 119.828 -1.795 . . . . 0.0 112.288 -177.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -96.08 -10.08 29.26 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 120.566 -1.334 . . . . 0.0 111.987 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -84.99 129.64 34.76 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.429 2.061 . . . . 0.0 115.735 -177.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.463 ' HB2' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -121.15 116.06 24.24 Favored 'General case' 0 C--O 1.3 3.744 0 N-CA-C 104.943 -2.243 . . . . 0.0 104.943 172.041 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -103.51 130.21 50.84 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 119.545 1.066 . . . . 0.0 109.934 -177.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.421 HD11 ' CB ' ' C' ' 76' ' ' PHE . 0.5 OUTLIER -122.07 131.85 72.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 O-C-N 125.13 1.519 . . . . 0.0 111.934 -177.548 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -144.39 129.46 18.57 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.33 46.01 20.28 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.73 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 21.82 60.87 Favored Glycine 0 N--CA 1.431 -1.664 0 C-N-CA 128.729 3.062 . . . . 0.0 117.48 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -115.11 142.73 46.26 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.67 130.3 34.6 Favored 'General case' 0 C--O 1.258 1.504 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.53 138.06 37.38 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 117.728 -1.129 . . . . 0.0 110.201 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -101.69 140.13 36.4 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 125.06 1.475 . . . . 0.0 110.005 -177.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.414 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 23.5 m-20 -48.05 -42.49 28.64 Favored 'General case' 0 C--O 1.263 1.813 0 N-CA-C 120.779 3.622 . . . . 0.0 120.779 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.84 85.5 Favored Glycine 0 CA--C 1.489 -1.543 0 N-CA-C 116.278 1.271 . . . . 0.0 116.278 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.47 165.27 17.29 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 119.808 -1.995 . . . . 0.0 108.08 176.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 1.0 OUTLIER -104.46 164.84 11.46 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 177.102 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.451 HD23 HD13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -61.55 -35.97 79.3 Favored 'General case' 0 C--O 1.202 -1.439 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 177.248 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.29 70.37 Favored 'General case' 0 C--O 1.268 2.061 0 C-N-CA 117.222 -1.791 . . . . 0.0 112.154 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.62 -39.47 70.84 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 122.504 1.145 . . . . 0.0 110.678 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -90.85 4.68 51.12 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.974 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m120 58.07 45.24 18.1 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.667 2.03 . . . . 0.0 111.168 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.451 HD13 HD23 ' A' ' 56' ' ' LEU . 22.4 mt -88.75 116.52 30.54 Favored 'Isoleucine or valine' 0 C--O 1.267 1.98 0 CA-C-O 115.182 -2.342 . . . . 0.0 106.192 175.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.54 169.66 8.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 126.051 2.094 . . . . 0.0 109.354 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.83 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 123.199 1.476 . . . . 0.0 109.148 -176.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.557 ' O ' HD12 ' B' ' 8' ' ' LEU . 0.0 OUTLIER 67.02 19.21 10.57 Favored 'General case' 0 C--O 1.254 1.328 0 N-CA-C 118.045 2.609 . . . . 0.0 118.045 179.428 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -71.3 159.53 34.42 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.525 ' OG1' HD22 ' B' ' 8' ' ' LEU . 0.8 OUTLIER -119.12 126.69 52.21 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 118.112 -0.947 . . . . 0.0 108.868 175.832 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.16 154.49 19.25 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 114.813 -2.518 . . . . 0.0 105.657 175.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -105.63 135.65 46.65 Favored 'General case' 0 C--N 1.288 -2.105 0 O-C-N 127.334 2.897 . . . . 0.0 105.84 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.82 115.81 30.83 Favored 'General case' 0 C--O 1.285 2.958 0 CA-C-O 117.579 -1.2 . . . . 0.0 111.445 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.463 HG13 ' HB2' ' A' ' 42' ' ' ARG . 3.8 p -108.07 139.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 174.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.3 mt -96.11 138.93 33.02 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.279 0.562 . . . . 0.0 109.816 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 . . . . . 0 C--N 1.279 -2.49 0 CA-C-O 113.187 -3.292 . . . . 0.0 105.502 178.672 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.99 138.39 31.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 127.167 2.792 . . . . 0.0 108.836 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.05 163.07 37.97 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 CA-C-O 115.854 -2.022 . . . . 0.0 105.836 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -115.98 140.13 49.56 Favored 'General case' 0 N--CA 1.513 2.715 1 O-C-N 130.527 4.892 . . . . 0.0 108.652 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -117.96 114.07 44.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-O 113.483 -3.151 . . . . 0.0 105.736 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . 0.46 ' HZ3' HD23 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -95.06 127.61 41.25 Favored 'General case' 0 N--CA 1.502 2.151 1 O-C-N 129.18 4.05 . . . . 0.0 108.125 -178.141 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.54 170.81 8.34 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.772 -1.109 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -73.47 -6.9 49.35 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.085 0.866 . . . . 0.0 112.789 -178.292 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.25 14.83 30.73 Favored 'General case' 0 N--CA 1.506 2.354 0 C-N-CA 115.731 -2.388 . . . . 0.0 111.963 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.62 80.18 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.196 -1.565 . . . . 0.0 116.13 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -96.25 137.87 34.68 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.8 p -119.9 131.89 55.37 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 126.344 2.277 . . . . 0.0 106.169 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 tp -109.46 141.83 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.797 3.186 . . . . 0.0 109.099 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 p -101.24 139.91 36.26 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 116.893 -1.923 . . . . 0.0 108.4 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.47 154.0 44.32 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 115.503 -2.189 . . . . 0.0 108.485 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -111.83 121.15 44.27 Favored 'General case' 0 N--CA 1.495 1.814 1 O-C-N 129.122 4.014 . . . . 0.0 103.591 174.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.09 170.56 15.9 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 O-C-N 127.731 3.144 . . . . 0.0 111.256 -177.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.1 144.6 38.1 Favored Pre-proline 0 C--N 1.313 -1.018 0 CA-C-N 112.065 -2.334 . . . . 0.0 106.241 174.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 72.5 Cg_exo -54.84 -24.8 40.21 Favored 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 122.635 2.224 . . . . 0.0 111.537 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 43.3 t -79.86 -8.21 59.17 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.102 -0.999 . . . . 0.0 110.91 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.94 148.53 47.61 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.782 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -83.84 160.54 21.15 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 175.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.785 HG12 ' HG ' ' B' ' 50' ' ' LEU . 2.0 mp -61.43 -36.81 75.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 126.888 2.617 . . . . 0.0 110.364 175.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -42.89 77.93 Favored 'General case' 0 C--O 1.251 1.166 0 O-C-N 120.424 -1.423 . . . . 0.0 110.979 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.43 -44.47 91.09 Favored 'General case' 0 C--O 1.251 1.147 0 C-N-CA 124.173 0.989 . . . . 0.0 111.498 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.0 t -58.64 -46.25 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.286 -1.325 . . . . 0.0 108.983 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -60.81 -37.96 83.74 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.882 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.08 87.07 Favored 'General case' 0 C--O 1.278 2.57 0 O-C-N 123.365 0.416 . . . . 0.0 111.354 176.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -64.05 -37.4 87.3 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 120.519 -1.363 . . . . 0.0 110.849 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.2 mt -69.69 -39.71 78.42 Favored 'Isoleucine or valine' 0 C--O 1.253 1.261 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -48.84 78.55 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 125.494 2.569 . . . . 0.0 108.96 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.52 -41.69 66.62 Favored 'General case' 0 C--O 1.256 1.423 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.8 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 4.3 mttp -93.42 -24.38 18.07 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 117.164 2.283 . . . . 0.0 117.164 -175.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.58 -6.32 8.09 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 122.939 2.609 . . . . 0.0 113.81 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.04 5.6 90.03 Favored Glycine 0 CA--C 1.476 -2.4 0 N-CA-C 118.718 2.247 . . . . 0.0 118.718 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.494 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 49.0 mt -79.91 125.05 82.8 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 118.736 -1.185 . . . . 0.0 111.035 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.0 Cg_exo -57.17 137.01 79.86 Favored 'Trans proline' 0 C--O 1.257 1.435 0 C-N-CA 122.941 2.427 . . . . 0.0 110.85 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.1 Cg_exo -57.22 -32.22 92.93 Favored 'Trans proline' 0 C--O 1.261 1.67 0 O-C-N 122.979 0.989 . . . . 0.0 113.315 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -68.33 -15.55 63.61 Favored 'General case' 0 C--O 1.264 1.827 0 O-C-N 120.039 -1.663 . . . . 0.0 112.187 -177.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.552 ' CG ' HD21 ' B' ' 71' ' ' LEU . 7.4 mp0 -95.61 -10.47 29.38 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.471 -1.393 . . . . 0.0 112.169 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -84.92 129.66 34.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 124.232 1.967 . . . . 0.0 115.755 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -121.16 116.07 24.26 Favored 'General case' 0 C--O 1.299 3.676 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 172.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.776 ' CB ' HD22 ' B' ' 50' ' ' LEU . 1.6 tp -103.52 130.28 50.87 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 119.536 1.062 . . . . 0.0 109.989 -177.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -121.98 131.56 72.87 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.131 1.52 . . . . 0.0 112.059 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.846 ' HB2' ' CZ ' ' B' ' 59' ' ' TYR . 0.0 OUTLIER -144.21 129.85 19.14 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.436 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . 0.429 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . . . 48.09 46.0 19.47 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 112.011 -2.359 . . . . 0.0 110.682 177.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.91 20.18 59.66 Favored Glycine 0 C--N 1.299 -1.486 0 C-N-CA 128.233 2.825 . . . . 0.0 117.334 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -109.89 143.86 39.2 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 115.411 -2.233 . . . . 0.0 110.916 174.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.486 ' HB3' ' HB2' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -87.19 130.28 34.62 Favored 'General case' 0 C--N 1.281 -2.394 0 N-CA-C 104.002 -2.592 . . . . 0.0 104.002 173.375 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.91 ' O ' HD23 ' B' ' 50' ' ' LEU . 0.2 OUTLIER -79.57 138.39 37.46 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.028 -175.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -101.89 139.95 36.83 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 125.173 1.545 . . . . 0.0 110.02 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -42.13 28.72 Favored 'General case' 0 C--O 1.263 1.79 0 N-CA-C 120.714 3.598 . . . . 0.0 120.714 -175.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.12 -8.66 85.24 Favored Glycine 0 CA--C 1.492 -1.359 0 N-CA-C 116.035 1.174 . . . . 0.0 116.035 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.445 ' O ' ' CD1' ' B' ' 23' ' ' ILE . 0.0 OUTLIER -85.56 165.31 17.18 Favored 'General case' 0 C--O 1.25 1.083 0 O-C-N 120.186 -1.773 . . . . 0.0 107.985 176.454 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 53.1 p -104.32 164.45 11.73 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 176.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.411 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 0.4 OUTLIER -60.99 -36.41 79.38 Favored 'General case' 0 C--O 1.2 -1.505 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 177.2 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.1 p -63.61 -29.76 70.97 Favored 'General case' 0 C--O 1.268 2.07 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.229 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -39.07 70.56 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 122.471 1.129 . . . . 0.0 110.706 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.846 ' CZ ' ' HB2' ' B' ' 45' ' ' PHE . 21.0 t80 -91.08 4.48 52.05 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.914 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 58.04 45.34 18.06 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 121.717 2.053 . . . . 0.0 111.253 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.509 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.0 OUTLIER -88.73 116.26 30.07 Favored 'Isoleucine or valine' 0 C--O 1.271 2.193 0 CA-C-O 115.078 -2.391 . . . . 0.0 106.289 175.848 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.35 169.59 8.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 126.098 2.124 . . . . 0.0 109.704 -176.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -55.05 143.05 28.08 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.23 1.49 . . . . 0.0 109.229 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 67.01 19.07 10.6 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 117.885 2.55 . . . . 0.0 117.885 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.475 ' HB3' HD13 ' B' ' 61' ' ' ILE . 30.8 t -71.11 159.51 34.57 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 174.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -118.97 126.62 52.18 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 118.199 -0.905 . . . . 0.0 108.842 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -103.14 154.52 19.21 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 114.672 -2.585 . . . . 0.0 105.755 175.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.454 ' HA ' ' HG3' ' B' ' 6' ' ' LYS . 3.0 m-70 -105.51 135.71 46.42 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 127.588 3.055 . . . . 0.0 105.79 177.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tt -107.01 115.8 30.82 Favored 'General case' 0 C--O 1.284 2.917 0 CA-C-O 117.705 -1.141 . . . . 0.0 111.425 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.1 t -108.13 139.96 28.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.717 0 N-CA-C 103.42 -2.807 . . . . 0.0 103.42 175.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.58 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.9 tt -96.03 -83.5 0.37 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.256 0.551 . . . . 0.0 109.847 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.279 -2.466 0 CA-C-O 113.44 -3.172 . . . . 0.0 105.459 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? . . . . . 0 CA--C 1.51 -0.572 0 CA-C-O 121.6 0.714 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -89.08 137.86 31.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.557 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.703 ' HB2' HG23 ' C' ' 49' ' ' ILE . 1.1 mp -70.2 -39.55 75.11 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.669 0.747 . . . . 0.0 111.856 172.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.575 ' HB ' HG22 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.4 136.07 21.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 125.195 1.398 . . . . 0.0 107.433 -178.214 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.35 147.99 34.16 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.572 165.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -160.97 155.24 23.04 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.246 0.966 . . . . 0.0 111.235 173.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -72.24 127.75 33.52 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.365 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.13 147.7 6.79 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-O 122.078 0.942 . . . . 0.0 110.079 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.91 164.89 25.26 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -179.22 3.78 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 3.5 mtt -137.14 161.03 37.25 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.65 156.46 48.52 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.816 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.7 116.14 28.74 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 177.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -112.33 115.81 29.35 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.02 8.58 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -169.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.7 m -114.04 14.57 18.38 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.381 -0.409 . . . . 0.0 109.919 178.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.1 p -111.99 122.49 47.92 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 97.2 t -76.11 120.09 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -124.17 119.38 26.44 Favored Pre-proline 0 C--O 1.245 0.856 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -173.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.92 134.8 59.01 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 117.946 -0.903 . . . . 0.0 111.873 173.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.74 132.21 34.18 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -11.23 59.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -172.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -67.08 144.36 56.15 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 125.56 26.74 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . 0.446 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.33 171.18 21.6 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.19 1.439 . . . . 0.0 115.389 -179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 74.4 mt -128.35 124.43 36.39 Favored 'General case' 0 N--CA 1.423 -1.796 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 175.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 25.9 t -90.98 137.58 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 164.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -151.96 157.74 42.18 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.983 0.897 . . . . 0.0 113.007 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.733 HG12 ' CD2' ' C' ' 127' ' ' TYR . 5.8 tp -118.74 131.04 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 113.591 -1.64 . . . . 0.0 108.36 174.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -134.02 137.61 44.84 Favored 'General case' 0 CA--C 1.492 -1.251 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -100.2 122.13 42.53 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 170.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 36.0 p -84.04 171.12 13.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.295 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.61 -10.4 59.71 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.606 -0.837 . . . . 0.0 113.149 -170.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.69 7.42 14.91 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.028 170.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.82 -1.15 3.15 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.496 1.518 . . . . 0.0 114.704 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mp -102.23 129.07 54.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.122 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.541 ' O ' HD12 ' C' ' 49' ' ' ILE . 11.7 m170 -117.58 125.32 50.59 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . 0.581 ' CZ ' HD12 ' C' ' 96' ' ' LEU . 0.0 OUTLIER -98.8 119.04 36.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 171.295 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 56.2 m -127.75 156.84 41.8 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.48 128.21 40.78 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 113.547 -1.66 . . . . 0.0 108.711 169.32 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -120.66 134.43 55.28 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.741 -176.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -74.32 115.34 13.72 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -64.1 -32.28 73.78 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -176.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.59 -46.14 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -175.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -20.45 21.79 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.578 -176.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.67 60.83 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 119.709 -0.495 . . . . 0.0 113.771 -171.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -72.62 130.02 39.62 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.653 1.226 . . . . 0.0 113.122 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.12 109.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -94.42 -28.9 15.25 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.965 -171.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -122.03 135.55 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.864 0.84 . . . . 0.0 109.417 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -155.0 103.34 2.39 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . 0.443 HD13 ' HE2' ' C' ' 59' ' ' PHE . 0.1 OUTLIER -118.05 123.28 45.26 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 114.304 -1.316 . . . . 0.0 109.264 -174.784 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 pp -75.86 124.3 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.432 1.111 . . . . 0.0 111.742 168.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 1.022 HG21 HD13 ' C' ' 128' ' ' LEU . 18.0 mm -122.96 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.602 -174.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . 0.421 ' CB ' HD11 ' A' ' 44' ' ' ILE . 1.5 m-85 -101.27 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.625 0 O-C-N 124.424 1.078 . . . . 0.0 110.902 173.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.28 133.88 58.08 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.319 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.54 6.79 5.89 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -175.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . 0.718 ' OD1' HG23 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -70.39 -33.63 71.62 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.975 0.807 . . . . 0.0 109.574 176.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 14.3 p -154.9 168.22 27.67 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.5 -1.28 . . . . 0.0 113.639 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -133.47 139.33 46.62 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.018 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.748 ' CD2' HD22 ' C' ' 96' ' ' LEU . 3.1 m-85 -106.79 124.2 49.27 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -148.56 156.4 42.38 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -67.64 142.79 56.29 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.444 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 96.9 t -94.23 98.35 2.86 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 171.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -61.0 -31.96 91.85 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 N-CA-C 117.791 2.189 . . . . 0.0 117.791 -167.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -91.1 8.59 34.82 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.207 -164.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 58.4 m -85.09 119.68 72.74 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.93 -19.89 34.05 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.427 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 88.1 p -65.49 -34.66 78.8 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.421 0.555 . . . . 0.0 110.06 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.41 13.09 64.74 Favored Glycine 0 CA--C 1.506 -0.529 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.558 -172.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -121.05 17.2 11.67 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -97.1 133.43 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -125.08 151.87 45.09 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 125.634 1.834 . . . . 0.0 110.375 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . 0.404 ' C ' HD23 ' C' ' 96' ' ' LEU . 9.7 p -127.03 135.31 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' C' ' 82' ' ' PHE . 0.6 OUTLIER -95.44 108.15 20.34 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.107 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -109.26 125.16 51.99 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -171.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -84.81 115.64 22.84 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.146 0.904 . . . . 0.0 109.17 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -63.38 -25.16 68.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.412 -169.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.25 115.19 28.93 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 173.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . 0.484 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 23.4 m -91.39 9.04 33.34 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.034 -0.686 . . . . 0.0 110.525 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -70.76 129.15 38.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 117.943 -1.503 . . . . 0.0 110.596 -164.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.01 141.69 46.25 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.968 175.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 81.6 mt -124.53 126.17 45.41 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 171.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -100.8 143.74 30.59 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 124.794 1.309 . . . . 0.0 110.23 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -137.09 156.7 48.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.519 -1.218 . . . . 0.0 109.281 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -131.46 126.64 35.55 Favored 'General case' 0 N--CA 1.419 -2.008 0 C-N-CA 119.573 -0.851 . . . . 0.0 110.434 174.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.73 137.76 58.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.224 -174.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.83 3.91 11.55 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.225 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.34 135.96 93.97 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.177 1.465 . . . . 0.0 108.637 173.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.25 -41.41 42.49 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.11 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 121.149 0.499 . . . . 0.0 110.49 173.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.0 t -83.38 -9.3 59.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.199 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -53.57 -33.84 56.2 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.16 5.76 37.97 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -174.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -56.85 -48.83 77.17 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.348 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.17 70.45 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 110.559 -173.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.29 -44.06 80.2 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.947 0.404 . . . . 0.0 110.932 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -55.64 -45.81 77.54 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.981 -1.074 . . . . 0.0 112.286 173.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . 0.852 ' O ' HG22 ' C' ' 124' ' ' VAL . 54.0 t -60.63 -43.18 97.82 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.637 0.732 . . . . 0.0 110.264 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -43.47 98.78 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.092 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -64.15 -42.38 96.8 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . 1.048 ' HA ' ' CE1' ' C' ' 127' ' ' TYR . 17.0 m -52.24 -51.97 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.401 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . 0.5 ' N ' HG23 ' C' ' 124' ' ' VAL . 4.5 m-20 -60.3 -39.53 87.3 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -65.27 -46.04 82.08 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.437 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . 1.048 ' CE1' ' HA ' ' C' ' 124' ' ' VAL . 0.5 OUTLIER -79.07 -24.42 43.53 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.423 -0.911 . . . . 0.0 112.3 -174.523 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 1.022 HD13 HG21 ' C' ' 75' ' ' ILE . 3.8 mt -79.04 -36.1 41.59 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.811 -0.755 . . . . 0.0 112.245 174.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -110.77 -11.17 14.42 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -168.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -141.17 71.93 27.35 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 169.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -46.18 165.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 121.564 1.509 . . . . 0.0 111.609 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 C--N 1.289 -2.558 0 C-N-CA 122.632 2.221 . . . . 0.0 111.559 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 mtm . . . . . 0 CA--C 1.55 0.957 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -91.14 138.23 31.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 126.857 2.598 . . . . 0.0 108.837 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.412 HD11 ' HB ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -131.23 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.41 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 173.49 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -115.98 140.13 49.57 Favored 'General case' 0 N--CA 1.512 2.649 1 O-C-N 130.565 4.916 . . . . 0.0 108.757 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.417 ' HB ' HG22 ' A' ' 13' ' ' ILE . 21.2 t -117.99 114.22 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-O 113.396 -3.192 . . . . 0.0 105.633 175.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.26 127.61 41.45 Favored 'General case' 0 N--CA 1.506 2.344 1 O-C-N 129.351 4.157 . . . . 0.0 107.868 -178.066 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.28 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.4 -7.05 50.05 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 124.121 0.888 . . . . 0.0 112.663 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -101.53 15.11 29.92 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.568 -2.453 . . . . 0.0 112.023 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.72 80.14 Favored Glycine 0 C--N 1.298 -1.572 0 O-C-N 120.204 -1.56 . . . . 0.0 116.08 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 138.15 34.53 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 175.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.92 131.75 55.31 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 126.63 2.456 . . . . 0.0 105.857 176.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.429 HD11 ' HG3' ' A' ' 33' ' ' LYS . 1.3 tt -109.7 141.92 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 127.692 3.12 . . . . 0.0 108.822 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.35 139.64 36.74 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.216 -1.793 . . . . 0.0 108.228 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 mp -126.44 154.06 44.19 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 115.388 -2.244 . . . . 0.0 108.34 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -111.83 121.02 43.91 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.29 4.119 . . . . 0.0 103.673 173.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.412 ' HB ' HD11 ' A' ' 3' ' ' ILE . 2.3 t -138.92 170.57 16.07 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 O-C-N 127.528 3.017 . . . . 0.0 111.213 -177.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -119.92 144.41 37.37 Favored Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 112.383 -2.19 . . . . 0.0 106.401 174.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -54.95 -24.38 39.13 Favored 'Trans proline' 0 C--N 1.321 -0.913 0 C-N-CA 122.49 2.126 . . . . 0.0 111.914 177.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m -79.97 -8.19 59.21 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.842 -177.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.96 148.43 47.7 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 117.498 -1.681 . . . . 0.0 109.838 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -83.73 160.52 21.26 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.7 mp -61.51 -37.02 76.85 Favored 'Isoleucine or valine' 0 C--O 1.246 0.9 0 O-C-N 127.206 2.816 . . . . 0.0 110.257 175.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -40.08 78.43 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.324 -0.86 . . . . 0.0 110.723 177.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.35 -41.94 79.95 Favored 'General case' 0 C--O 1.261 1.663 0 O-C-N 121.841 -0.537 . . . . 0.0 110.969 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.18 -46.48 88.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.529 1.143 . . . . 0.0 109.192 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -60.82 -37.9 83.57 Favored 'General case' 0 C--O 1.258 1.507 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.746 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.1 87.31 Favored 'General case' 0 C--O 1.278 2.555 0 CA-C-N 118.073 0.397 . . . . 0.0 111.165 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -64.14 -37.56 87.91 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 120.43 -1.419 . . . . 0.0 110.716 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.3 mt -69.91 -39.44 77.58 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -62.2 -48.77 78.57 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 125.547 2.594 . . . . 0.0 109.052 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -41.66 65.62 Favored 'General case' 0 C--O 1.253 1.244 0 CA-C-N 113.404 -1.726 . . . . 0.0 111.988 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HG3' HD11 ' A' ' 13' ' ' ILE 0.317 13.0 tptm -93.7 -24.31 17.9 Favored 'General case' 0 C--O 1.281 2.712 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -175.837 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -123.33 -6.49 8.22 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 123.166 2.712 . . . . 0.0 114.251 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.67 89.94 Favored Glycine 0 CA--C 1.478 -2.227 0 N-CA-C 118.896 2.318 . . . . 0.0 118.896 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 64.3 mt -79.82 124.73 83.2 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.886 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 80.6 Cg_exo -56.99 136.9 79.47 Favored 'Trans proline' 0 C--O 1.257 1.453 0 C-N-CA 123.301 2.667 . . . . 0.0 110.767 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.6 Cg_exo -57.22 -31.95 92.15 Favored 'Trans proline' 0 C--O 1.263 1.755 0 O-C-N 123.067 1.035 . . . . 0.0 113.634 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -68.47 -15.29 63.49 Favored 'General case' 0 C--O 1.264 1.833 0 O-C-N 119.841 -1.787 . . . . 0.0 112.208 -177.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -95.99 -10.33 28.86 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.582 -1.324 . . . . 0.0 112.048 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -84.89 129.65 34.78 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 124.441 2.067 . . . . 0.0 115.75 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.02 116.12 24.45 Favored 'General case' 0 C--O 1.299 3.706 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 171.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -103.52 130.17 50.85 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 119.48 1.036 . . . . 0.0 109.96 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -122.16 131.88 72.21 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 O-C-N 125.239 1.587 . . . . 0.0 111.885 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -144.31 129.56 18.75 Favored 'General case' 0 C--N 1.36 1.047 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' HG3' ' C' ' 103' ' ' LYS . . . 48.17 46.02 19.75 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.208 -2.269 . . . . 0.0 110.842 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.69 60.96 Favored Glycine 0 N--CA 1.432 -1.607 0 C-N-CA 128.581 2.991 . . . . 0.0 117.489 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -115.01 142.91 45.99 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.93 130.3 34.58 Favored 'General case' 0 C--O 1.258 1.519 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 174.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.56 138.08 37.37 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 117.703 -1.141 . . . . 0.0 110.18 -175.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.522 ' O ' HD13 ' A' ' 23' ' ' ILE . 13.4 mm-40 -101.66 140.17 36.31 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 125.028 1.455 . . . . 0.0 109.988 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -42.45 28.88 Favored 'General case' 0 C--O 1.263 1.814 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -175.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 -8.9 85.44 Favored Glycine 0 CA--C 1.488 -1.606 0 N-CA-C 116.184 1.234 . . . . 0.0 116.184 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.753 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -85.41 165.36 17.27 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 119.715 -2.05 . . . . 0.0 108.028 176.518 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 26.6 p -104.57 164.84 11.47 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 177.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.56 -36.08 79.59 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -29.52 70.64 Favored 'General case' 0 C--O 1.269 2.106 0 C-N-CA 117.278 -1.769 . . . . 0.0 112.175 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -39.69 70.57 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 122.364 1.078 . . . . 0.0 110.657 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -90.81 4.8 50.7 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 117.638 -1.172 . . . . 0.0 112.966 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 58.14 45.15 18.02 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.671 2.032 . . . . 0.0 111.174 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.4 mt -88.74 116.53 30.55 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 115.156 -2.354 . . . . 0.0 106.185 175.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -103.58 169.67 8.39 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.106 2.129 . . . . 0.0 109.315 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 142.94 27.71 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 123.186 1.47 . . . . 0.0 109.149 -176.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 67.13 19.11 10.45 Favored 'General case' 0 C--O 1.254 1.316 0 N-CA-C 117.98 2.585 . . . . 0.0 117.98 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -71.14 159.55 34.47 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.16 126.74 52.3 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 118.108 -0.949 . . . . 0.0 108.859 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.4 mt -103.11 154.59 19.13 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 114.828 -2.511 . . . . 0.0 105.647 175.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -105.63 135.59 46.76 Favored 'General case' 0 C--N 1.287 -2.111 0 O-C-N 127.352 2.907 . . . . 0.0 105.838 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tt -106.83 115.8 30.82 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.457 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.8 t -108.07 139.84 28.75 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 N-CA-C 103.574 -2.751 . . . . 0.0 103.574 175.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.03 138.92 32.96 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.288 0.566 . . . . 0.0 109.828 178.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 . . . . . 0 C--N 1.279 -2.476 0 CA-C-O 113.183 -3.294 . . . . 0.0 105.559 178.562 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.93 138.53 31.53 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 127.148 2.78 . . . . 0.0 108.788 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.847 HD11 HG12 ' B' ' 17' ' ' VAL . 0.0 OUTLIER -131.21 163.14 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.25 0 CA-C-O 115.739 -2.076 . . . . 0.0 105.941 173.14 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -116.01 140.11 49.59 Favored 'General case' 0 N--CA 1.514 2.737 1 O-C-N 130.603 4.939 . . . . 0.0 108.65 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 33.5 t -117.87 114.12 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 113.443 -3.17 . . . . 0.0 105.789 175.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.11 127.57 41.27 Favored 'General case' 0 N--CA 1.503 2.195 1 O-C-N 129.184 4.053 . . . . 0.0 108.185 -178.145 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.3 p -99.57 170.74 8.38 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.749 -1.119 . . . . 0.0 109.328 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.652 ' H ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.27 -7.03 49.76 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 124.171 0.919 . . . . 0.0 112.824 -178.28 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -101.22 14.82 30.75 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 115.661 -2.416 . . . . 0.0 111.944 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.69 80.05 Favored Glycine 0 C--N 1.296 -1.64 0 O-C-N 120.102 -1.624 . . . . 0.0 116.044 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.26 137.92 34.63 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 174.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 24.5 p -119.9 131.92 55.38 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 126.365 2.29 . . . . 0.0 106.122 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mm -109.53 141.81 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 127.795 3.184 . . . . 0.0 109.063 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -101.1 139.87 36.19 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 117.031 -1.867 . . . . 0.0 108.376 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 mp -126.57 154.0 44.48 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 115.405 -2.236 . . . . 0.0 108.421 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -111.77 121.25 44.57 Favored 'General case' 0 N--CA 1.498 1.933 1 O-C-N 129.416 4.197 . . . . 0.0 103.513 174.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.847 HG12 HD11 ' B' ' 3' ' ' ILE . 0.4 OUTLIER -139.15 170.54 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.213 0 O-C-N 127.798 3.186 . . . . 0.0 111.198 -177.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.467 ' N ' HG13 ' B' ' 17' ' ' VAL . 0.5 OUTLIER -120.03 144.64 38.06 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 112.032 -2.349 . . . . 0.0 106.251 174.702 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.98 -24.69 40.73 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 C-N-CA 122.687 2.258 . . . . 0.0 111.52 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -8.26 59.21 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.857 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.93 148.47 47.69 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 117.28 -1.768 . . . . 0.0 109.81 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.78 160.55 21.2 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 1.223 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.48 -36.79 75.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 127.048 2.718 . . . . 0.0 110.346 175.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.782 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.15 -42.94 77.77 Favored 'General case' 0 C--O 1.252 1.207 0 O-C-N 120.393 -1.442 . . . . 0.0 110.974 176.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -64.42 -44.58 90.75 Favored 'General case' 0 C--O 1.251 1.154 0 C-N-CA 124.208 1.003 . . . . 0.0 111.395 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.55 -46.31 90.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.882 1.363 . . . . 0.0 109.01 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -60.71 -37.94 83.37 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.907 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.27 -37.96 86.68 Favored 'General case' 0 C--O 1.278 2.558 0 O-C-N 123.496 0.498 . . . . 0.0 111.451 176.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -64.15 -37.33 87.08 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 120.481 -1.387 . . . . 0.0 110.78 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.77 -39.74 78.29 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -61.92 -48.88 78.45 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 125.504 2.573 . . . . 0.0 108.995 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.33 -41.8 66.09 Favored 'General case' 0 C--O 1.256 1.414 0 CA-C-N 113.69 -1.595 . . . . 0.0 111.869 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -93.36 -24.45 18.09 Favored 'General case' 0 C--O 1.28 2.662 0 N-CA-C 117.196 2.295 . . . . 0.0 117.196 -175.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.64 -6.28 8.06 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 122.941 2.61 . . . . 0.0 113.83 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.56 90.06 Favored Glycine 0 CA--C 1.476 -2.366 0 N-CA-C 118.803 2.281 . . . . 0.0 118.803 176.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.447 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 58.3 mt -80.04 125.05 82.58 Favored Pre-proline 0 C--O 1.241 0.65 0 C-N-CA 118.627 -1.229 . . . . 0.0 111.051 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.496 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 24.8 Cg_endo -57.0 136.99 80.03 Favored 'Trans proline' 0 C--O 1.256 1.386 0 C-N-CA 122.971 2.447 . . . . 0.0 110.853 178.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.6 Cg_exo -57.24 -32.22 92.99 Favored 'Trans proline' 0 C--O 1.261 1.654 0 O-C-N 123.032 1.017 . . . . 0.0 113.435 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.19 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 119.97 -1.706 . . . . 0.0 112.215 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.522 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.9 OUTLIER -95.58 -10.55 29.26 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.559 -1.338 . . . . 0.0 112.192 178.484 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -84.85 129.55 34.79 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 124.193 1.949 . . . . 0.0 115.775 -177.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -121.15 116.15 24.41 Favored 'General case' 0 C--O 1.299 3.668 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 172.234 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.6 130.34 51.01 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.476 1.034 . . . . 0.0 109.935 -177.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.543 HG23 ' O ' ' B' ' 68' ' ' HIS . 0.1 OUTLIER -122.07 131.58 72.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 O-C-N 125.181 1.55 . . . . 0.0 112.018 -177.574 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -144.27 129.85 19.07 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.01 19.62 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 111.9 -2.409 . . . . 0.0 110.639 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 20.2 59.55 Favored Glycine 0 C--N 1.298 -1.535 0 C-N-CA 128.363 2.887 . . . . 0.0 117.319 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -109.83 143.84 39.12 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 115.344 -2.265 . . . . 0.0 110.977 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.57 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -87.24 130.37 34.6 Favored 'General case' 0 C--N 1.28 -2.423 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 173.393 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.62 138.41 37.41 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 117.57 -1.205 . . . . 0.0 110.024 -175.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 1.223 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.7 OUTLIER -101.91 140.09 36.66 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 125.252 1.595 . . . . 0.0 109.952 -177.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.895 ' O ' HG23 ' B' ' 23' ' ' ILE . 1.2 p30 -48.39 -41.97 30.5 Favored 'General case' 0 C--O 1.263 1.771 0 N-CA-C 120.787 3.625 . . . . 0.0 120.787 -175.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.18 -8.65 85.15 Favored Glycine 0 N--CA 1.476 1.342 0 N-CA-C 115.942 1.137 . . . . 0.0 115.942 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.806 ' O ' HG22 ' B' ' 23' ' ' ILE . 16.1 mmt180 -85.57 165.32 17.16 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.116 -1.814 . . . . 0.0 107.969 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 30.2 p -104.33 164.48 11.7 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 177.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.02 -36.46 79.59 Favored 'General case' 0 C--O 1.2 -1.518 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.6 t -63.57 -29.79 71.0 Favored 'General case' 0 C--O 1.267 2.011 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.229 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.78 -38.99 70.63 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 122.44 1.114 . . . . 0.0 110.73 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -91.07 4.53 51.9 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.632 -1.175 . . . . 0.0 112.903 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.87 45.42 18.45 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 121.68 2.036 . . . . 0.0 111.257 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.3 mt -88.71 116.15 29.88 Favored 'Isoleucine or valine' 0 C--O 1.27 2.159 0 CA-C-O 114.994 -2.431 . . . . 0.0 106.309 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.2 169.51 8.51 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 126.157 2.161 . . . . 0.0 109.67 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 142.89 28.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 123.151 1.453 . . . . 0.0 109.359 -176.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.16 19.06 10.43 Favored 'General case' 0 C--O 1.254 1.342 0 N-CA-C 117.806 2.521 . . . . 0.0 117.806 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.07 159.57 34.48 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 174.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.03 126.61 52.11 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 118.142 -0.932 . . . . 0.0 108.784 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mp -103.17 154.59 19.16 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.597 -2.62 . . . . 0.0 105.776 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.543 ' O ' HG23 ' B' ' 44' ' ' ILE . 3.0 m80 -105.55 135.83 46.24 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 127.644 3.09 . . . . 0.0 105.688 178.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.14 115.78 30.78 Favored 'General case' 0 C--O 1.283 2.845 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.403 176.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.06 139.93 28.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 103.467 -2.79 . . . . 0.0 103.467 175.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.579 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.9 tt -96.16 -83.47 0.37 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.101 0.477 . . . . 0.0 109.795 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.41 ' HB2' ' H ' ' C' ' 102' ' ' SER . 40.0 ttp180 . . . . . 0 C--N 1.277 -2.543 0 CA-C-O 113.415 -3.183 . . . . 0.0 105.475 -179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 tttm . . . . . 0 CA--C 1.51 -0.57 0 CA-C-O 121.602 0.715 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.612 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.438 HD13 ' CD2' ' C' ' 127' ' ' TYR . 24.9 mt -70.18 -39.66 75.14 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.682 0.754 . . . . 0.0 111.848 172.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -144.29 136.07 22.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.247 1.419 . . . . 0.0 107.461 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.3 148.06 34.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.664 -0.815 . . . . 0.0 110.625 165.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.03 155.17 22.79 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.225 0.953 . . . . 0.0 111.21 173.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -72.29 127.77 33.57 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.338 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.18 147.69 6.74 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.077 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.98 164.85 25.15 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.11 -179.19 3.78 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 15.0 mtt -137.13 161.09 37.09 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.7 156.58 48.34 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.067 -1.453 . . . . 0.0 108.751 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.74 116.16 28.77 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.39 115.91 29.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 106.465 -1.679 . . . . 0.0 106.465 172.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -169.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.1 p -114.01 14.55 18.42 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.383 -0.409 . . . . 0.0 109.962 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 47.4 p -111.96 122.49 47.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.507 HG23 ' O ' ' C' ' 38' ' ' VAL . 34.6 m -76.16 120.0 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 66.5 p -124.07 119.31 26.57 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.17 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.8 59.06 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 117.91 -0.927 . . . . 0.0 111.946 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 172.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.26 59.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -67.04 144.37 56.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -173.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 125.59 26.86 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 171.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . 0.445 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.37 171.26 21.58 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.189 1.438 . . . . 0.0 115.372 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.42 124.33 35.99 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.9 t -90.85 137.5 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.122 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 164.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.705 ' C ' HD13 ' C' ' 49' ' ' ILE . 11.3 p90 -151.97 157.85 42.31 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.074 0.94 . . . . 0.0 112.97 175.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.856 HD12 ' CD2' ' C' ' 59' ' ' PHE . 3.4 mm -118.84 131.07 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.347 174.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -134.09 137.65 44.75 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -100.16 122.01 42.33 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 18.6 p -84.05 171.12 13.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.272 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.5 -10.47 59.81 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.622 -0.831 . . . . 0.0 113.191 -170.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.69 7.47 14.77 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.044 170.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m 73.8 -1.26 3.12 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.464 1.505 . . . . 0.0 114.703 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.87 149.89 39.39 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 122.186 0.994 . . . . 0.0 113.095 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . 0.611 ' CG2' HD11 ' C' ' 75' ' ' ILE . 2.7 mp -102.21 129.03 54.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.5 OUTLIER -117.51 125.38 50.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -176.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . 0.856 ' CD2' HD12 ' C' ' 49' ' ' ILE . 1.7 m-85 -98.87 119.04 36.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 171.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -127.75 156.76 41.92 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -171.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.47 128.35 41.06 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.485 -1.689 . . . . 0.0 108.646 169.273 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -120.7 134.36 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.753 -176.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.22 115.31 13.58 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 173.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -32.42 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 71.0 p -72.5 -46.16 56.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -175.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 93.5 p -91.42 -20.51 21.71 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.555 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.75 60.84 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.713 -0.493 . . . . 0.0 113.77 -171.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -72.54 130.02 39.66 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.624 1.212 . . . . 0.0 113.144 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.17 109.05 17.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.47 -28.77 15.29 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.047 -171.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.03 135.63 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.782 0.801 . . . . 0.0 109.383 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.08 103.33 2.38 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.06 123.25 45.19 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.253 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.91 124.3 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-O 122.392 1.091 . . . . 0.0 111.717 168.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.806 HD13 ' HB2' ' C' ' 128' ' ' LEU . 1.9 pp -122.96 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.602 -174.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -101.24 158.99 30.75 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.434 1.084 . . . . 0.0 110.87 173.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.32 133.85 58.05 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.931 2.421 . . . . 0.0 111.289 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.58 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.45 -33.54 71.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 119.038 0.835 . . . . 0.0 109.638 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 31.1 p -154.97 168.18 27.84 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.446 -1.302 . . . . 0.0 113.593 -173.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . 0.495 ' N ' HE21 ' B' ' 49' ' ' GLN . 10.8 tt0 -133.36 139.29 46.73 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.426 -1.716 . . . . 0.0 107.024 -178.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.69 124.19 49.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -148.51 156.48 42.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -67.77 142.85 56.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.426 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . 0.695 ' HB ' HG13 ' C' ' 93' ' ' VAL . 3.0 t -94.29 98.37 2.9 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.07 -31.89 91.28 Favored 'Trans proline' 0 C--N 1.329 -0.479 0 N-CA-C 117.834 2.206 . . . . 0.0 117.834 -167.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -91.08 8.6 34.71 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.011 -1.476 . . . . 0.0 112.145 -164.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . 0.54 ' HB2' HG11 ' C' ' 93' ' ' VAL . 12.6 t -85.09 119.62 72.67 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.96 -19.86 34.09 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.488 -173.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 56.3 m -65.52 -34.63 78.71 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.351 0.523 . . . . 0.0 110.047 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 12.99 64.73 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.587 -172.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -120.97 17.1 11.74 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . 0.695 HG13 ' HB ' ' C' ' 85' ' ' VAL . 2.5 p -97.08 133.5 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -125.1 151.79 45.23 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 125.46 1.725 . . . . 0.0 110.404 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.03 135.32 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tt -95.41 108.09 20.27 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 169.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.19 125.17 51.94 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -171.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -84.88 115.66 22.89 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.154 0.909 . . . . 0.0 109.214 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -25.21 68.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.355 -169.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.26 115.17 28.88 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' B' ' 72' ' ' ARG . . . 101.93 172.39 27.68 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -172.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . 0.41 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 0.4 OUTLIER -91.37 9.03 33.3 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 122.037 -0.684 . . . . 0.0 110.549 179.408 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . 0.51 ' HG3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -70.65 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.606 -165.054 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.74 46.18 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.958 175.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -124.5 126.17 45.43 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 171.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.84 143.59 30.82 Favored 'General case' 0 N--CA 1.442 -0.875 0 O-C-N 124.722 1.264 . . . . 0.0 110.297 -177.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -137.03 156.67 48.13 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.344 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.46 126.67 35.64 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.544 -0.863 . . . . 0.0 110.36 175.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.65 137.84 58.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.198 -174.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -118.91 3.97 11.5 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.276 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 135.89 93.88 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.099 1.428 . . . . 0.0 108.614 172.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.36 -41.23 42.96 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.561 -1.16 . . . . 0.0 112.447 -174.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -96.18 146.9 24.29 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.508 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 23.1 p -83.39 -9.4 59.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.133 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -33.88 55.9 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -103.07 5.74 38.21 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -56.89 -48.77 77.42 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 118.946 -1.102 . . . . 0.0 110.306 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -69.83 -32.14 70.4 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.597 -173.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -44.0 79.84 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -45.88 77.56 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.015 -1.053 . . . . 0.0 112.249 173.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . 0.808 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 10.6 t -60.63 -43.03 97.99 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.611 0.72 . . . . 0.0 110.324 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.88 -43.44 98.84 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.152 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -64.22 -42.29 96.65 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . 0.808 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 5.7 m -52.37 -51.84 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.456 175.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . 0.512 ' HA ' HD23 ' C' ' 128' ' ' LEU . 0.6 OUTLIER -60.37 -39.43 87.19 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -46.0 82.18 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.823 0.344 . . . . 0.0 111.51 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . 0.438 ' CD2' HD13 ' C' ' 23' ' ' LEU . 11.8 m-85 -79.12 -24.42 43.39 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 119.428 -0.909 . . . . 0.0 112.3 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.806 ' HB2' HD13 ' C' ' 75' ' ' ILE . 0.4 OUTLIER -79.04 -36.11 41.57 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.794 -0.763 . . . . 0.0 112.24 174.511 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . 0.466 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.0 OUTLIER -110.78 -11.09 14.42 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -168.541 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -141.18 71.88 27.33 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 169.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -79.3 168.42 20.19 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.598 1.532 . . . . 0.0 111.678 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo . . . . . 0 C--N 1.289 -2.564 0 C-N-CA 122.466 2.11 . . . . 0.0 111.559 179.898 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 mmt . . . . . 0 CA--C 1.55 0.951 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.11 138.27 31.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 126.964 2.665 . . . . 0.0 108.901 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 pt -131.27 162.99 38.29 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.38 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.99 140.24 49.45 Favored 'General case' 0 N--CA 1.513 2.678 1 O-C-N 130.624 4.952 . . . . 0.0 108.772 179.61 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-O 113.423 -3.18 . . . . 0.0 105.634 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 127.55 41.35 Favored 'General case' 0 N--CA 1.506 2.374 1 O-C-N 129.307 4.13 . . . . 0.0 107.867 -178.087 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . 0.721 HG23 ' H ' ' A' ' 9' ' ' THR . 14.9 t -99.59 170.86 8.29 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.269 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -6.93 49.43 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.142 0.901 . . . . 0.0 112.747 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . 0.721 ' H ' HG23 ' A' ' 7' ' ' THR . 2.8 m -101.56 15.03 30.18 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 115.68 -2.408 . . . . 0.0 111.972 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 16.9 80.09 Favored Glycine 0 C--N 1.297 -1.621 0 O-C-N 120.204 -1.56 . . . . 0.0 116.08 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.546 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.46 138.05 34.63 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 p -120.0 131.66 55.22 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 126.544 2.403 . . . . 0.0 105.965 176.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mm -109.54 141.96 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 127.65 3.094 . . . . 0.0 108.857 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 t -101.39 139.7 36.7 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.176 -1.809 . . . . 0.0 108.188 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -126.43 154.0 44.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 115.443 -2.218 . . . . 0.0 108.32 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -111.81 121.01 43.92 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.226 4.079 . . . . 0.0 103.643 173.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.1 m -138.94 170.55 16.07 Favored 'Isoleucine or valine' 0 C--O 1.255 1.345 0 O-C-N 127.51 3.006 . . . . 0.0 111.266 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -119.91 144.43 37.4 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 112.451 -2.159 . . . . 0.0 106.445 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -55.01 -24.29 39.16 Favored 'Trans proline' 0 C--N 1.321 -0.9 0 C-N-CA 122.468 2.112 . . . . 0.0 112.004 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.7 p -80.04 -8.07 59.18 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.92 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.13 148.47 47.38 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 117.297 -1.761 . . . . 0.0 109.846 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.67 160.52 21.32 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 175.76 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -61.51 -37.04 76.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.848 0 O-C-N 127.148 2.78 . . . . 0.0 110.189 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.55 -40.25 78.47 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.32 -0.862 . . . . 0.0 110.658 177.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.33 -41.86 80.18 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 121.837 -0.539 . . . . 0.0 110.984 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.29 -46.46 88.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 O-C-N 124.473 1.108 . . . . 0.0 109.137 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -60.74 -37.98 83.58 Favored 'General case' 0 C--O 1.26 1.63 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.7 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.08 87.23 Favored 'General case' 0 C--O 1.278 2.564 0 CA-C-N 118.144 0.429 . . . . 0.0 111.154 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -37.43 87.44 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 120.432 -1.417 . . . . 0.0 110.701 176.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.488 HD13 HE22 ' A' ' 41' ' ' GLN . 2.9 mt -70.07 -39.47 77.25 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -48.71 78.73 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 125.496 2.569 . . . . 0.0 109.102 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -53.23 -41.71 65.69 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-N 113.466 -1.697 . . . . 0.0 111.935 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 16.0 ttmt -93.67 -24.19 17.97 Favored 'General case' 0 C--O 1.281 2.732 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 -175.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.48 -6.42 8.14 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.146 2.703 . . . . 0.0 114.194 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.56 90.02 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.934 2.334 . . . . 0.0 118.934 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.472 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 68.5 mt -79.85 124.76 83.14 Favored Pre-proline 0 C--O 1.244 0.764 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.936 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.9 Cg_exo -56.94 136.87 79.15 Favored 'Trans proline' 0 C--O 1.259 1.527 0 C-N-CA 123.362 2.708 . . . . 0.0 110.815 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.1 Cg_exo -57.31 -31.83 92.04 Favored 'Trans proline' 0 C--O 1.262 1.691 0 O-C-N 122.949 0.973 . . . . 0.0 113.605 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -15.19 63.45 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 119.921 -1.737 . . . . 0.0 112.213 -177.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.07 -10.19 29.01 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.709 -1.245 . . . . 0.0 112.027 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.488 HE22 HD13 ' A' ' 30' ' ' ILE . 32.5 mt-30 -84.9 129.62 34.78 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 124.35 2.024 . . . . 0.0 115.68 -177.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.478 ' HG3' HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -121.07 116.1 24.37 Favored 'General case' 0 C--O 1.299 3.67 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 171.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -103.54 130.12 50.89 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 119.462 1.028 . . . . 0.0 109.932 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.478 HD11 ' HG3' ' A' ' 42' ' ' ARG . 2.1 mm -122.0 131.92 72.08 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 O-C-N 125.219 1.575 . . . . 0.0 111.923 -177.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -144.41 129.54 18.62 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.09 19.68 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.229 -2.26 . . . . 0.0 110.781 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.6 21.7 60.77 Favored Glycine 0 N--CA 1.432 -1.627 0 C-N-CA 128.694 3.045 . . . . 0.0 117.513 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -114.88 142.82 46.06 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -85.88 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.502 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.8 mt -79.43 138.05 37.47 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 117.581 -1.199 . . . . 0.0 110.276 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -101.72 140.12 36.44 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 125.182 1.551 . . . . 0.0 109.933 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -48.01 -42.51 28.31 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -175.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.92 85.41 Favored Glycine 0 CA--C 1.49 -1.496 0 N-CA-C 116.195 1.238 . . . . 0.0 116.195 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 165.35 17.29 Favored 'General case' 0 C--O 1.25 1.107 0 O-C-N 119.838 -1.977 . . . . 0.0 108.001 176.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 53.1 p -104.43 164.87 11.43 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -36.15 79.78 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 m -64.06 -29.46 70.6 Favored 'General case' 0 C--O 1.267 1.998 0 C-N-CA 117.287 -1.765 . . . . 0.0 112.255 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.52 -39.58 70.69 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 122.421 1.105 . . . . 0.0 110.703 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -90.76 4.69 50.9 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.996 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.12 45.22 17.97 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 121.584 1.993 . . . . 0.0 111.201 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -88.76 116.55 30.59 Favored 'Isoleucine or valine' 0 C--O 1.267 1.999 0 CA-C-O 115.147 -2.359 . . . . 0.0 106.194 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -103.57 169.61 8.43 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 126.028 2.08 . . . . 0.0 109.334 -176.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 142.87 27.7 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 123.193 1.473 . . . . 0.0 109.168 -176.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.589 ' O ' HD12 ' B' ' 8' ' ' LEU . 17.1 mm-40 67.05 19.15 10.54 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 118.027 2.602 . . . . 0.0 118.027 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.17 159.55 34.45 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.444 HG21 HG21 ' B' ' 70' ' ' VAL . 0.8 OUTLIER -119.16 126.73 52.29 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.863 175.782 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.2 mt -103.23 154.52 19.25 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.851 -2.5 . . . . 0.0 105.631 175.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -105.57 135.66 46.57 Favored 'General case' 0 C--N 1.287 -2.112 0 O-C-N 127.3 2.875 . . . . 0.0 105.846 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.4 tp -106.95 115.75 30.72 Favored 'General case' 0 C--O 1.284 2.895 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.407 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.0 139.92 28.33 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 103.568 -2.752 . . . . 0.0 103.568 175.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.8 mt -96.1 138.83 33.14 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.247 0.546 . . . . 0.0 109.838 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.525 0 CA-C-O 113.148 -3.311 . . . . 0.0 105.605 178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -91.02 138.44 31.6 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 127.111 2.757 . . . . 0.0 108.838 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.498 HD11 HD12 ' B' ' 15' ' ' LEU . 1.5 pp -131.13 163.06 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.3 0 CA-C-O 115.77 -2.062 . . . . 0.0 105.92 173.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -115.92 140.16 49.52 Favored 'General case' 0 N--CA 1.515 2.795 1 O-C-N 130.56 4.913 . . . . 0.0 108.613 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.83 114.05 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.855 175.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.19 127.69 41.44 Favored 'General case' 0 N--CA 1.503 2.177 1 O-C-N 129.164 4.04 . . . . 0.0 108.047 -178.071 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . 0.647 HG22 ' O ' ' B' ' 11' ' ' LYS . 11.1 t -99.59 170.85 8.3 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 64' ' ' GLU . 28.3 mt -73.34 -7.04 49.92 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 124.137 0.898 . . . . 0.0 112.834 -178.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.595 ' H ' HG23 ' B' ' 7' ' ' THR . 0.2 OUTLIER -101.24 14.9 30.52 Favored 'General case' 0 N--CA 1.505 2.296 0 C-N-CA 115.724 -2.391 . . . . 0.0 111.916 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.3 16.74 80.19 Favored Glycine 0 C--N 1.296 -1.664 0 O-C-N 120.232 -1.543 . . . . 0.0 116.117 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.647 ' O ' HG22 ' B' ' 7' ' ' THR . 0.1 OUTLIER -96.28 137.8 34.82 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 174.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.79 131.91 55.46 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 126.363 2.289 . . . . 0.0 106.179 176.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.51 141.76 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 127.747 3.154 . . . . 0.0 109.15 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 29.3 p -101.18 139.95 36.16 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 116.931 -1.908 . . . . 0.0 108.408 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.498 HD12 HD11 ' B' ' 3' ' ' ILE . 20.1 mt -126.56 154.02 44.45 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 115.426 -2.226 . . . . 0.0 108.388 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -111.76 121.22 44.5 Favored 'General case' 0 N--CA 1.495 1.822 1 O-C-N 129.256 4.097 . . . . 0.0 103.551 174.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.15 170.65 15.7 Favored 'Isoleucine or valine' 0 C--O 1.252 1.212 0 O-C-N 127.768 3.167 . . . . 0.0 111.179 -177.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.05 144.64 38.1 Favored Pre-proline 0 C--N 1.313 -0.99 0 CA-C-N 112.008 -2.36 . . . . 0.0 106.346 174.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.83 -24.76 39.97 Favored 'Trans proline' 0 C--N 1.317 -1.115 0 C-N-CA 122.632 2.221 . . . . 0.0 111.606 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -79.81 -8.31 59.2 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.91 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.88 148.42 47.81 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.794 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.75 160.46 21.25 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.654 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.9 mt -61.4 -36.8 75.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 O-C-N 126.962 2.664 . . . . 0.0 110.408 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.794 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.13 -42.95 77.73 Favored 'General case' 0 C--O 1.253 1.274 0 O-C-N 120.399 -1.438 . . . . 0.0 110.972 176.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.43 -44.53 90.91 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 124.195 0.998 . . . . 0.0 111.421 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -58.51 -46.32 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.854 1.346 . . . . 0.0 109.025 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -60.83 -37.88 83.55 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.868 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.94 86.53 Favored 'General case' 0 C--O 1.278 2.568 0 O-C-N 123.365 0.416 . . . . 0.0 111.372 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -64.0 -37.46 87.49 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 120.379 -1.451 . . . . 0.0 110.859 175.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.71 -39.7 78.37 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -48.76 78.86 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 125.566 2.603 . . . . 0.0 108.98 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -41.71 66.73 Favored 'General case' 0 C--O 1.257 1.481 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.866 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 4.8 ttmt -93.41 -24.37 18.08 Favored 'General case' 0 C--O 1.28 2.701 0 N-CA-C 117.2 2.296 . . . . 0.0 117.2 -175.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.66 -6.28 8.05 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 122.963 2.62 . . . . 0.0 113.723 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.59 90.04 Favored Glycine 0 CA--C 1.476 -2.381 0 N-CA-C 118.762 2.265 . . . . 0.0 118.762 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.475 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 86.7 mt -79.92 125.02 82.86 Favored Pre-proline 0 C--O 1.242 0.687 0 C-N-CA 118.766 -1.174 . . . . 0.0 111.044 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 83.3 Cg_exo -57.19 137.01 79.82 Favored 'Trans proline' 0 C--O 1.255 1.371 0 C-N-CA 122.987 2.458 . . . . 0.0 110.824 178.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -57.2 -32.12 92.6 Favored 'Trans proline' 0 C--O 1.26 1.622 0 O-C-N 123.133 1.07 . . . . 0.0 113.396 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -15.7 63.66 Favored 'General case' 0 C--O 1.264 1.855 0 O-C-N 119.899 -1.75 . . . . 0.0 112.145 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.794 ' HB3' HD11 ' B' ' 71' ' ' LEU . 19.2 mm-40 -95.41 -10.54 29.67 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.493 -1.379 . . . . 0.0 112.23 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -84.84 129.63 34.78 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 124.271 1.986 . . . . 0.0 115.746 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 2.2 mmt180 -121.18 116.05 24.2 Favored 'General case' 0 C--O 1.3 3.719 0 N-CA-C 104.74 -2.319 . . . . 0.0 104.74 172.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.539 ' C ' HD13 ' B' ' 44' ' ' ILE . 13.7 mt -103.49 130.33 50.84 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 119.529 1.059 . . . . 0.0 109.958 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.539 HD13 ' C ' ' B' ' 43' ' ' LEU . 0.1 OUTLIER -122.03 131.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 O-C-N 125.164 1.54 . . . . 0.0 112.085 -177.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.973 ' O ' ' OH ' ' B' ' 59' ' ' TYR . 57.3 t80 -144.28 129.79 18.99 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.291 -2.115 . . . . 0.0 105.291 177.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.69 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 111.915 -2.402 . . . . 0.0 110.635 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.97 20.17 59.77 Favored Glycine 0 C--N 1.299 -1.526 0 C-N-CA 128.175 2.798 . . . . 0.0 117.293 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . 0.574 ' HB2' ' CZ ' ' B' ' 59' ' ' TYR . 25.1 mtt180 -109.97 143.78 39.45 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 115.412 -2.233 . . . . 0.0 110.95 174.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -87.17 130.34 34.58 Favored 'General case' 0 C--N 1.282 -2.366 0 N-CA-C 103.959 -2.608 . . . . 0.0 103.959 173.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 23' ' ' ILE . 5.5 mp -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 117.507 -1.235 . . . . 0.0 110.096 -175.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 0.654 ' O ' HD13 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -101.89 140.03 36.73 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.271 1.607 . . . . 0.0 109.903 -177.661 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.794 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.5 OUTLIER -48.19 -42.09 28.95 Favored 'General case' 0 C--O 1.263 1.765 0 N-CA-C 120.807 3.632 . . . . 0.0 120.807 -175.851 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.48 85.26 Favored Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 116.002 1.161 . . . . 0.0 116.002 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -85.64 165.24 17.17 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 120.181 -1.776 . . . . 0.0 107.966 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 43.4 p -104.24 164.43 11.73 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 177.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -36.46 79.52 Favored 'General case' 0 C--O 1.201 -1.49 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -29.77 70.96 Favored 'General case' 0 C--O 1.266 1.921 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.185 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -39.02 70.41 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.498 1.142 . . . . 0.0 110.809 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.973 ' OH ' ' O ' ' B' ' 45' ' ' PHE . 0.6 OUTLIER -91.09 4.44 52.14 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 117.648 -1.168 . . . . 0.0 112.931 179.147 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.11 45.22 18.0 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.644 2.02 . . . . 0.0 111.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 mt -88.68 116.27 30.06 Favored 'Isoleucine or valine' 0 C--O 1.269 2.114 0 CA-C-O 115.019 -2.419 . . . . 0.0 106.276 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 169.57 8.47 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 126.151 2.157 . . . . 0.0 109.716 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.11 143.0 28.58 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.176 1.465 . . . . 0.0 109.225 -176.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.14 19.07 10.44 Favored 'General case' 0 C--O 1.254 1.336 0 N-CA-C 117.8 2.519 . . . . 0.0 117.8 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.9 p -71.21 159.64 34.28 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.5 t -119.04 126.61 52.1 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 118.243 -0.885 . . . . 0.0 108.775 175.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 mt -103.15 154.61 19.12 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 114.685 -2.579 . . . . 0.0 105.714 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.68 135.84 46.37 Favored 'General case' 0 C--N 1.283 -2.286 0 O-C-N 127.572 3.045 . . . . 0.0 105.635 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tt -107.17 115.88 30.94 Favored 'General case' 0 C--O 1.284 2.872 0 CA-C-O 117.732 -1.128 . . . . 0.0 111.337 176.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.444 HG21 HG21 ' A' ' 66' ' ' THR . 24.4 t -108.14 139.85 28.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 175.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.794 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.5 0.37 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.082 0.468 . . . . 0.0 109.818 178.47 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.421 ' CB ' ' HA2' ' C' ' 101' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.276 -2.604 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.393 179.738 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 mttm . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.643 0.735 . . . . 0.0 110.629 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.607 -178.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' C' ' 127' ' ' TYR . 0.1 OUTLIER -70.18 -39.69 75.1 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.647 0.737 . . . . 0.0 111.8 172.485 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.513 ' HB ' HG12 ' C' ' 49' ' ' ILE . 0.5 OUTLIER -144.29 136.05 21.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.247 1.419 . . . . 0.0 107.497 -178.201 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -144.28 148.03 34.31 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.541 165.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -160.96 155.29 23.13 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.159 0.912 . . . . 0.0 111.191 173.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -72.29 127.84 33.81 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.216 -1.356 . . . . 0.0 112.313 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-O 122.112 0.958 . . . . 0.0 110.088 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.84 25.21 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -109.14 -179.21 3.78 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.6 mtt -137.13 161.08 37.1 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . 0.601 ' O ' HG22 ' C' ' 39' ' ' THR . 25.6 m -136.74 156.54 48.39 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.038 -1.465 . . . . 0.0 108.702 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mp -92.75 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -112.34 115.82 29.36 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.22 -116.04 8.62 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -113.97 14.56 18.47 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.369 -0.415 . . . . 0.0 109.962 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 30.1 p -112.04 122.53 48.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -172.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . 0.495 HG23 ' O ' ' C' ' 38' ' ' VAL . 27.6 m -76.17 120.07 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 174.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . 0.601 HG22 ' O ' ' C' ' 32' ' ' SER . 1.3 t -124.12 119.31 26.51 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.17 -173.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.82 134.83 59.57 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 117.954 -0.898 . . . . 0.0 111.885 173.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -85.79 132.22 34.16 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 172.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.25 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -67.08 144.41 56.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -68.11 125.59 26.83 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.21 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.338 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mt -128.42 124.39 36.14 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 40.1 t -91.01 137.55 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.645 ' C ' HD13 ' C' ' 49' ' ' ILE . 10.1 p90 -151.94 157.82 42.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.982 0.896 . . . . 0.0 113.024 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.645 HD13 ' C ' ' C' ' 48' ' ' TYR . 0.5 OUTLIER -118.83 131.09 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 113.58 -1.645 . . . . 0.0 108.363 174.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.58 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . 0.519 ' CB ' ' OH ' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -100.16 122.08 42.43 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.305 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -84.11 171.1 13.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.237 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -10.53 59.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.69 7.53 14.61 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.031 171.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.78 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.428 1.491 . . . . 0.0 114.808 -177.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 61.4 mt -74.89 149.94 39.33 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 122.201 1.001 . . . . 0.0 113.008 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mt -102.26 129.11 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.143 -177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.0 m170 -117.62 125.32 50.55 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . 0.549 ' CE2' HG13 ' C' ' 124' ' ' VAL . 3.4 m-85 -98.78 118.96 36.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 171.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -127.63 156.82 41.7 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -171.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -130.51 128.37 41.05 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.622 169.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 134.31 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.775 -176.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.24 115.32 13.61 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -64.01 -32.42 73.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 55.6 p -72.54 -46.15 55.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -174.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.42 -20.55 21.67 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.578 -176.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.66 2.72 61.22 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-O 119.708 -0.496 . . . . 0.0 113.713 -171.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -72.54 130.05 39.73 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.669 1.234 . . . . 0.0 113.107 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -84.23 109.11 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -94.48 -28.84 15.25 Favored 'General case' 0 C--O 1.206 -1.222 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.999 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.96 135.54 54.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.849 0.833 . . . . 0.0 109.436 177.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -155.05 103.32 2.38 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 104.515 -2.402 . . . . 0.0 104.515 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.04 123.25 45.23 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.285 -1.325 . . . . 0.0 109.236 -174.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . 0.419 ' C ' HD13 ' C' ' 75' ' ' ILE . 1.3 pp -75.86 124.31 33.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.401 1.096 . . . . 0.0 111.668 168.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.789 HG21 HD12 ' C' ' 128' ' ' LEU . 3.9 mm -122.98 130.32 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.607 -174.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -101.25 159.06 30.56 Favored Pre-proline 0 C--O 1.24 0.595 0 O-C-N 124.489 1.118 . . . . 0.0 110.899 173.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.36 133.95 58.66 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.916 2.411 . . . . 0.0 111.259 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.78 5.88 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 -175.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.4 -33.62 71.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 119.038 0.835 . . . . 0.0 109.647 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 168.22 27.67 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.442 -1.303 . . . . 0.0 113.605 -173.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -133.47 139.31 46.6 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.519 -1.673 . . . . 0.0 106.992 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.43 ' HB2' HG11 ' C' ' 124' ' ' VAL . 74.9 t80 -106.71 124.16 49.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -148.5 156.5 42.54 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 142.86 56.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.379 177.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -94.28 98.27 2.83 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -60.99 -32.0 91.91 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.786 2.187 . . . . 0.0 117.786 -167.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.1 8.65 34.48 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.931 -1.508 . . . . 0.0 112.225 -164.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 25.2 p -85.08 119.72 72.78 Favored Pre-proline 0 CA--C 1.515 -0.381 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -57.0 -19.81 34.16 Favored 'Trans proline' 0 C--N 1.346 0.443 0 O-C-N 122.982 0.991 . . . . 0.0 114.42 -173.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 88.5 p -65.59 -34.63 78.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.369 0.532 . . . . 0.0 110.036 178.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.58 12.92 64.88 Favored Glycine 0 CA--C 1.506 -0.511 0 O-C-N 123.989 0.806 . . . . 0.0 111.492 -172.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -120.93 17.1 11.77 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 31.8 t -97.01 133.41 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.152 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -125.0 151.79 45.08 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.479 1.737 . . . . 0.0 110.428 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.0 p -127.02 135.44 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -95.58 108.12 20.36 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 169.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 125.23 52.02 Favored 'General case' 0 CA--C 1.486 -1.509 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -171.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -84.84 115.72 22.9 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.142 0.901 . . . . 0.0 109.205 176.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -25.18 68.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.353 -169.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.27 115.23 28.98 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 173.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . 0.525 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.85 172.42 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -91.39 9.0 33.51 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.069 -0.665 . . . . 0.0 110.561 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -70.59 129.15 38.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.588 -165.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.02 141.86 46.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.919 175.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mp -124.62 126.2 45.38 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 171.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.92 143.65 30.82 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.698 1.249 . . . . 0.0 110.316 -177.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -137.04 156.72 48.06 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.297 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -131.44 126.57 35.4 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.413 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 2.5 mmt -62.65 137.81 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.306 -174.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -118.91 4.05 11.49 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.627 -1.169 . . . . 0.0 110.258 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.3 135.87 93.87 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.118 1.437 . . . . 0.0 108.671 172.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.31 -41.31 42.74 Favored 'Trans proline' 0 C--O 1.247 0.953 0 C-N-CA 117.539 -1.174 . . . . 0.0 112.434 -174.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.12 146.94 24.24 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 121.148 0.499 . . . . 0.0 110.536 173.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.3 t -83.39 -9.31 59.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.216 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -33.81 55.9 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.17 5.79 37.99 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -174.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -56.92 -48.74 77.54 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.926 -1.11 . . . . 0.0 110.312 -177.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -32.2 70.49 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.56 -173.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -43.99 80.01 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.59 -45.87 77.33 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.952 -1.093 . . . . 0.0 112.314 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -43.05 97.98 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 121.657 0.742 . . . . 0.0 110.291 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.54 98.63 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.05 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -64.16 -42.33 96.78 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . 0.549 HG13 ' CE2' ' C' ' 59' ' ' PHE . 1.8 t -52.31 -51.91 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.41 175.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.37 -39.48 87.41 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -46.03 82.19 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.44 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . 0.598 ' HD1' ' HB ' ' C' ' 49' ' ' ILE . 11.7 t80 -79.03 -24.56 43.56 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.436 -0.905 . . . . 0.0 112.405 -174.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.789 HD12 HG21 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -78.96 -36.15 42.02 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.765 -0.774 . . . . 0.0 112.278 174.477 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . 0.614 ' HB3' HD23 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.69 -11.1 14.45 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -168.577 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -141.17 71.8 27.44 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 169.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -82.85 170.59 12.45 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.65 1.566 . . . . 0.0 111.644 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--N 1.289 -2.589 0 C-N-CA 122.544 2.162 . . . . 0.0 111.597 179.75 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.932 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -91.1 138.23 31.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 126.841 2.588 . . . . 0.0 108.858 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.598 HD11 HD22 ' A' ' 15' ' ' LEU . 2.1 pp -131.31 163.01 38.26 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.387 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 173.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.96 140.16 49.53 Favored 'General case' 0 N--CA 1.513 2.676 1 O-C-N 130.557 4.911 . . . . 0.0 108.773 179.696 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -118.03 114.25 44.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-O 113.422 -3.18 . . . . 0.0 105.614 175.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.19 127.5 41.29 Favored 'General case' 0 N--CA 1.504 2.265 1 O-C-N 129.269 4.105 . . . . 0.0 107.96 -178.118 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.62 170.73 8.38 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.883 -1.056 . . . . 0.0 109.325 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.413 HD21 ' OD1' ' C' ' 78' ' ' ASP . 0.0 OUTLIER -73.28 -7.0 49.63 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.093 0.871 . . . . 0.0 112.653 -177.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -101.58 15.04 30.14 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.634 -2.427 . . . . 0.0 111.945 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.71 80.14 Favored Glycine 0 C--N 1.297 -1.592 0 O-C-N 120.262 -1.524 . . . . 0.0 116.057 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -96.44 138.14 34.47 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 174.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.9 p -119.98 131.66 55.24 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 126.608 2.443 . . . . 0.0 105.93 176.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.449 ' HB ' HG13 ' A' ' 5' ' ' VAL . 17.8 mm -109.57 141.93 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 127.637 3.086 . . . . 0.0 108.823 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -101.31 139.64 36.71 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 117.19 -1.804 . . . . 0.0 108.237 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -126.38 154.09 44.05 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 115.449 -2.215 . . . . 0.0 108.29 -179.215 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -111.86 121.02 43.91 Favored 'General case' 0 N--CA 1.5 2.028 1 O-C-N 129.215 4.072 . . . . 0.0 103.608 173.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -138.89 170.62 16.01 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 O-C-N 127.589 3.056 . . . . 0.0 111.297 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -119.93 144.5 37.58 Favored Pre-proline 0 C--N 1.315 -0.931 0 CA-C-N 112.423 -2.171 . . . . 0.0 106.342 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.93 -24.42 39.17 Favored 'Trans proline' 0 C--N 1.321 -0.919 0 C-N-CA 122.553 2.169 . . . . 0.0 111.979 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 p -79.95 -8.25 59.23 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 117.919 -1.039 . . . . 0.0 110.838 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.471 ' OD2' HG12 ' A' ' 26' ' ' VAL . 17.0 p-10 -71.0 148.45 47.62 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 117.372 -1.731 . . . . 0.0 109.86 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.661 ' O ' HG13 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -83.72 160.46 21.28 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.61 ' O ' HG22 ' A' ' 26' ' ' VAL . 21.0 mm -61.39 -37.15 77.04 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 O-C-N 127.17 2.794 . . . . 0.0 110.233 175.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -40.08 78.25 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.317 -0.865 . . . . 0.0 110.813 177.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.32 -41.98 80.03 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 121.967 -0.458 . . . . 0.0 110.937 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 22' ' ' THR . 0.9 OUTLIER -58.22 -46.4 88.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 O-C-N 124.345 1.028 . . . . 0.0 109.226 178.166 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.405 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 84.0 mttt -60.85 -37.95 83.85 Favored 'General case' 0 C--O 1.259 1.585 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.7 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.05 87.02 Favored 'General case' 0 C--O 1.277 2.512 0 CA-C-N 118.197 0.453 . . . . 0.0 111.13 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -37.45 87.48 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-O 123.081 1.42 . . . . 0.0 110.729 176.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.8 mt -70.01 -39.59 77.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.21 -48.73 78.71 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 125.547 2.594 . . . . 0.0 109.104 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -41.67 65.71 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.51 -1.677 . . . . 0.0 111.96 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 10.5 tttt -93.63 -24.33 17.94 Favored 'General case' 0 C--O 1.281 2.75 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 -175.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.3 -6.53 8.24 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 123.108 2.685 . . . . 0.0 114.276 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.7 89.97 Favored Glycine 0 CA--C 1.479 -2.209 0 N-CA-C 118.931 2.332 . . . . 0.0 118.931 176.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.454 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 31.3 mt -79.77 124.76 83.29 Favored Pre-proline 0 C--O 1.243 0.716 0 C-N-CA 118.876 -1.129 . . . . 0.0 110.913 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.8 Cg_exo -56.9 136.84 78.9 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.249 2.633 . . . . 0.0 110.827 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.1 Cg_exo -57.1 -32.0 91.99 Favored 'Trans proline' 0 C--O 1.264 1.782 0 O-C-N 123.009 1.005 . . . . 0.0 113.649 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -68.46 -15.33 63.51 Favored 'General case' 0 C--O 1.261 1.692 0 O-C-N 119.806 -1.809 . . . . 0.0 112.247 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -96.11 -10.2 28.88 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.689 -1.257 . . . . 0.0 111.954 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -84.91 129.59 34.78 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 124.351 2.024 . . . . 0.0 115.767 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.05 116.17 24.53 Favored 'General case' 0 C--O 1.299 3.688 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 171.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -103.5 130.12 50.81 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 119.501 1.046 . . . . 0.0 109.968 -177.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.408 HD11 ' HD2' ' C' ' 76' ' ' PHE . 0.9 OUTLIER -122.05 131.92 72.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 O-C-N 125.136 1.522 . . . . 0.0 111.797 -177.465 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HZ ' ' HG ' ' A' ' 65' ' ' SER . 10.1 t80 -144.48 129.52 18.53 Favored 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.547 ' H ' ' HE1' ' C' ' 98' ' ' PHE . . . 48.21 46.08 19.87 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 112.28 -2.236 . . . . 0.0 110.723 177.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.68 21.72 60.98 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 128.653 3.025 . . . . 0.0 117.449 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 46' ' ' ALA . 9.9 mtmt -115.05 142.76 46.21 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 177.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.79 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.527 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.48 138.05 37.43 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 117.61 -1.186 . . . . 0.0 110.204 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -101.81 140.12 36.52 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.036 1.46 . . . . 0.0 109.996 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -47.92 -42.66 27.78 Favored 'General case' 0 C--O 1.263 1.774 0 N-CA-C 120.781 3.622 . . . . 0.0 120.781 -175.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.53 -8.94 85.48 Favored Glycine 0 CA--C 1.491 -1.45 0 N-CA-C 116.204 1.242 . . . . 0.0 116.204 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -85.39 165.35 17.29 Favored 'General case' 0 C--O 1.251 1.174 0 O-C-N 119.858 -1.966 . . . . 0.0 108.017 176.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.0 p -104.49 164.81 11.49 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 176.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.524 ' CD2' HD13 ' A' ' 61' ' ' ILE . 26.8 mt -61.5 -36.02 79.33 Favored 'General case' 0 C--O 1.201 -1.453 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -64.31 -29.37 70.46 Favored 'General case' 0 C--O 1.267 2.013 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.12 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.55 -39.53 70.72 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.457 1.122 . . . . 0.0 110.757 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -90.77 4.63 51.1 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 117.782 -1.104 . . . . 0.0 113.044 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 m120 58.17 45.14 17.94 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 121.544 1.975 . . . . 0.0 111.193 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.524 HD13 ' CD2' ' A' ' 56' ' ' LEU . 5.0 mt -88.7 116.5 30.47 Favored 'Isoleucine or valine' 0 C--O 1.267 2.021 0 CA-C-O 115.124 -2.37 . . . . 0.0 106.247 175.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.56 169.7 8.38 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 126.111 2.132 . . . . 0.0 109.359 -176.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.9 142.94 27.67 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.249 1.499 . . . . 0.0 109.145 -176.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' HD22 ' B' ' 8' ' ' LEU . 1.0 OUTLIER 67.0 19.31 10.58 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 117.966 2.58 . . . . 0.0 117.966 179.381 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.462 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 1.1 m -71.25 159.58 34.37 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 174.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.588 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.6 OUTLIER -119.13 126.73 52.3 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 118.17 -0.919 . . . . 0.0 108.849 175.774 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.19 154.59 19.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 114.769 -2.538 . . . . 0.0 105.686 175.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -105.7 135.64 46.76 Favored 'General case' 0 C--N 1.287 -2.151 0 O-C-N 127.342 2.901 . . . . 0.0 105.813 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.4 tp -106.85 115.87 30.93 Favored 'General case' 0 C--O 1.286 2.984 0 CA-C-O 117.563 -1.208 . . . . 0.0 111.396 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.12 139.91 28.55 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 103.5 -2.778 . . . . 0.0 103.5 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mp -96.1 138.96 32.97 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.205 0.526 . . . . 0.0 109.82 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 . . . . . 0 C--N 1.279 -2.497 0 CA-C-O 113.162 -3.304 . . . . 0.0 105.518 178.65 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -91.0 138.52 31.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 127.112 2.758 . . . . 0.0 108.72 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' B' ' 65' ' ' SER . 7.8 tt -131.21 163.0 38.25 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.323 0 CA-C-O 115.735 -2.079 . . . . 0.0 105.917 173.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.88 140.16 49.51 Favored 'General case' 0 N--CA 1.514 2.74 1 O-C-N 130.669 4.981 . . . . 0.0 108.625 179.784 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.596 ' HA ' ' HG ' ' B' ' 67' ' ' LEU . 0.1 OUTLIER -117.9 114.04 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.852 175.486 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -95.11 127.59 41.28 Favored 'General case' 0 N--CA 1.503 2.188 1 O-C-N 129.228 4.08 . . . . 0.0 108.185 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p -99.51 170.88 8.3 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.78 -1.105 . . . . 0.0 109.298 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.588 HD23 ' OG1' ' A' ' 66' ' ' THR . 0.0 OUTLIER -73.37 -6.97 49.64 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 124.077 0.861 . . . . 0.0 112.811 -178.357 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.28 14.79 30.87 Favored 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 115.652 -2.419 . . . . 0.0 111.909 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.53 16.61 80.09 Favored Glycine 0 C--N 1.295 -1.73 0 O-C-N 120.167 -1.583 . . . . 0.0 115.977 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -96.21 137.92 34.58 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -119.85 131.84 55.4 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 126.328 2.268 . . . . 0.0 106.254 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.46 HG23 HG13 ' B' ' 5' ' ' VAL . 0.1 OUTLIER -109.51 141.8 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.726 3.141 . . . . 0.0 109.089 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . 0.441 ' N ' HD12 ' B' ' 13' ' ' ILE . 9.2 m -101.17 139.94 36.16 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 117.035 -1.866 . . . . 0.0 108.324 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.9 mt -126.57 154.06 44.4 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 115.525 -2.179 . . . . 0.0 108.384 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.84 121.13 44.21 Favored 'General case' 0 N--CA 1.495 1.776 1 O-C-N 129.172 4.045 . . . . 0.0 103.518 174.094 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . 0.436 HG13 ' N ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -139.12 170.6 15.8 Favored 'Isoleucine or valine' 0 C--O 1.254 1.325 0 O-C-N 127.936 3.272 . . . . 0.0 111.217 -177.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . 0.436 ' N ' HG13 ' B' ' 17' ' ' VAL . 1.6 mp0 -119.96 144.51 37.65 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 112.112 -2.313 . . . . 0.0 106.426 174.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.83 -24.66 39.5 Favored 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 122.697 2.264 . . . . 0.0 111.562 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.3 p -79.93 -8.28 59.24 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.911 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.91 148.44 47.75 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 117.287 -1.765 . . . . 0.0 109.817 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.79 160.58 21.19 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 1.252 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.41 -36.81 75.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 126.928 2.643 . . . . 0.0 110.413 175.815 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -42.84 77.61 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 120.399 -1.438 . . . . 0.0 111.002 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -64.59 -44.5 90.42 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 124.191 0.996 . . . . 0.0 111.322 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -46.22 90.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.805 1.316 . . . . 0.0 109.046 178.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.76 -37.96 83.6 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.871 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -38.02 86.73 Favored 'General case' 0 C--O 1.277 2.536 0 O-C-N 123.319 0.387 . . . . 0.0 111.297 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -64.01 -37.46 87.51 Favored 'General case' 0 C--O 1.254 1.335 0 CA-C-O 122.97 1.366 . . . . 0.0 110.833 175.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.448 HD13 ' CD1' ' B' ' 69' ' ' LEU . 0.4 OUTLIER -69.68 -39.71 78.44 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -62.02 -48.86 78.41 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 125.518 2.58 . . . . 0.0 108.959 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -41.81 66.21 Favored 'General case' 0 C--O 1.257 1.484 0 CA-C-N 113.617 -1.629 . . . . 0.0 111.862 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.0 OUTLIER -93.4 -24.35 18.1 Favored 'General case' 0 C--O 1.28 2.704 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -175.842 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -123.66 -6.38 8.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 122.927 2.603 . . . . 0.0 113.771 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.6 90.01 Favored Glycine 0 CA--C 1.477 -2.301 0 N-CA-C 118.693 2.237 . . . . 0.0 118.693 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.498 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 12.4 mm -79.8 125.15 82.83 Favored Pre-proline 0 C--O 1.243 0.731 0 C-N-CA 118.64 -1.224 . . . . 0.0 111.111 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.2 Cg_exo -57.23 137.0 79.76 Favored 'Trans proline' 0 C--O 1.256 1.393 0 C-N-CA 122.961 2.441 . . . . 0.0 110.885 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 52.9 Cg_exo -57.11 -32.41 93.23 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 123.066 1.035 . . . . 0.0 113.33 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -15.51 63.61 Favored 'General case' 0 C--O 1.265 1.901 0 O-C-N 120.049 -1.657 . . . . 0.0 112.271 -177.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.662 ' HB3' HD21 ' B' ' 71' ' ' LEU . 14.7 mt-30 -95.57 -10.57 29.21 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.483 -1.386 . . . . 0.0 112.176 178.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -84.84 129.59 34.79 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 124.18 1.943 . . . . 0.0 115.742 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -121.08 116.09 24.35 Favored 'General case' 0 C--O 1.298 3.641 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 172.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 mt -103.6 130.3 51.01 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.504 1.047 . . . . 0.0 109.927 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.509 ' C ' ' CD2' ' B' ' 45' ' ' PHE . 4.3 mp -122.07 131.59 72.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 O-C-N 125.149 1.531 . . . . 0.0 111.982 -177.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . 0.729 ' N ' ' CD2' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.17 129.8 19.14 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 177.453 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.9 19.64 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 111.981 -2.372 . . . . 0.0 110.66 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.01 20.09 59.79 Favored Glycine 0 C--N 1.299 -1.502 0 C-N-CA 128.151 2.786 . . . . 0.0 117.355 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.89 143.83 39.25 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 115.342 -2.266 . . . . 0.0 110.94 174.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.09 130.34 34.54 Favored 'General case' 0 C--N 1.28 -2.443 0 N-CA-C 103.961 -2.607 . . . . 0.0 103.961 173.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' B' ' 45' ' ' PHE . 36.0 tp -79.59 138.34 37.41 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 117.553 -1.213 . . . . 0.0 110.112 -175.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . 1.252 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -101.82 140.02 36.67 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 125.23 1.581 . . . . 0.0 110.022 -177.697 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.903 ' HA ' HG12 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -48.3 -42.09 29.97 Favored 'General case' 0 C--O 1.261 1.71 0 N-CA-C 120.769 3.618 . . . . 0.0 120.769 -175.724 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.17 -8.48 85.39 Favored Glycine 0 CA--C 1.493 -1.319 0 N-CA-C 116.0 1.16 . . . . 0.0 116.0 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . 0.807 ' O ' HG22 ' B' ' 23' ' ' ILE . 0.9 OUTLIER -85.63 165.36 17.08 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.133 -1.804 . . . . 0.0 107.973 176.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 23.5 p -104.47 164.57 11.65 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 177.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -36.4 79.62 Favored 'General case' 0 C--O 1.201 -1.459 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -63.7 -29.66 70.86 Favored 'General case' 0 C--O 1.267 1.982 0 C-N-CA 117.321 -1.752 . . . . 0.0 112.174 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -55.76 -38.99 70.57 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 122.562 1.172 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.578 ' HB3' HD11 ' B' ' 61' ' ' ILE . 4.0 m-85 -91.11 4.48 52.07 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 117.537 -1.221 . . . . 0.0 112.873 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.94 45.43 18.22 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 121.758 2.072 . . . . 0.0 111.244 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.578 HD11 ' HB3' ' B' ' 59' ' ' TYR . 14.8 mm -88.8 116.25 30.11 Favored 'Isoleucine or valine' 0 C--O 1.27 2.157 0 CA-C-O 115.122 -2.371 . . . . 0.0 106.263 175.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.38 169.63 8.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 126.103 2.127 . . . . 0.0 109.673 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 142.87 28.42 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.102 1.429 . . . . 0.0 109.246 -176.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.05 19.17 10.54 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 117.834 2.531 . . . . 0.0 117.834 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . 0.428 ' O ' ' CG1' ' B' ' 3' ' ' ILE . 1.9 t -71.2 159.66 34.25 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 174.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -119.1 126.61 52.04 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 118.21 -0.9 . . . . 0.0 108.828 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . 0.596 ' HG ' ' HA ' ' B' ' 5' ' ' VAL . 3.3 pp -103.16 154.54 19.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 114.737 -2.554 . . . . 0.0 105.702 175.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.407 ' C ' HD12 ' B' ' 67' ' ' LEU . 3.3 m80 -105.56 135.91 46.11 Favored 'General case' 0 C--N 1.283 -2.291 0 O-C-N 127.608 3.067 . . . . 0.0 105.691 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . 0.448 ' CD1' HD13 ' B' ' 30' ' ' ILE . 0.5 OUTLIER -107.17 115.82 30.84 Favored 'General case' 0 C--O 1.284 2.884 0 CA-C-O 117.551 -1.214 . . . . 0.0 111.459 176.574 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 87.3 t -108.17 139.81 29.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.662 HD21 ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -95.97 -83.51 0.37 Allowed 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.072 0.463 . . . . 0.0 109.814 178.374 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 45.1 ttp85 . . . . . 0 C--N 1.277 -2.574 0 CA-C-O 113.432 -3.175 . . . . 0.0 105.529 179.396 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.559 0.695 . . . . 0.0 110.708 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -89.12 137.93 31.88 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.589 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.19 -39.65 75.09 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.635 0.731 . . . . 0.0 111.8 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 t -144.36 136.02 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 107.47 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -144.26 148.08 34.4 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.557 165.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -161.03 155.22 22.87 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.243 0.964 . . . . 0.0 111.198 173.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.29 127.79 33.65 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.351 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.14 147.63 6.76 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.062 0.934 . . . . 0.0 110.098 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.92 164.82 25.21 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 108.301 -1.92 . . . . 0.0 108.301 175.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.08 -179.25 3.8 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . 0.757 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.5 mpt? -137.12 161.02 37.26 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . 0.591 ' O ' HG22 ' C' ' 39' ' ' THR . 0.5 OUTLIER -136.66 156.56 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.079 -1.448 . . . . 0.0 108.743 177.383 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.75 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.04 8.6 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -169.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.01 14.6 18.43 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.383 -0.409 . . . . 0.0 109.995 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 60.0 m -112.02 122.47 47.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 91.1 t -76.05 120.02 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . 0.591 HG22 ' O ' ' C' ' 32' ' ' SER . 1.2 t -124.09 119.29 26.55 Favored Pre-proline 0 C--O 1.245 0.852 0 C-N-CA 122.522 0.329 . . . . 0.0 110.193 -173.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . 0.757 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 31.8 Cg_exo -59.84 134.76 59.06 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 CA-C-O 122.348 0.895 . . . . 0.0 111.865 173.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -85.68 132.19 34.2 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 -11.26 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -172.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.97 144.41 56.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -173.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -68.18 125.58 26.84 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 171.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . 0.448 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.24 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.173 1.429 . . . . 0.0 115.377 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 14.5 tp -128.38 124.36 36.15 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 45.5 t -90.96 137.55 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 164.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.506 ' O ' HD13 ' C' ' 49' ' ' ILE . 19.0 p90 -151.9 157.73 42.22 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.973 0.892 . . . . 0.0 113.015 175.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.506 HD13 ' O ' ' C' ' 48' ' ' TYR . 5.5 mm -118.76 131.1 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.349 174.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -134.02 137.69 44.88 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -100.2 122.01 42.35 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 57.0 p -84.03 171.12 13.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.307 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.46 -10.55 59.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -82.63 7.36 14.92 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 121.275 -0.17 . . . . 0.0 110.981 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 33.9 t 73.87 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.417 1.487 . . . . 0.0 114.808 -177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 31.3 mt -74.96 150.02 39.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 119.172 -1.011 . . . . 0.0 113.048 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.25 129.1 54.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.145 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 7.3 m-70 -117.66 125.26 50.4 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -176.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -98.69 118.96 36.58 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 171.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 39.7 m -127.66 156.84 41.71 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.47 128.21 40.79 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.587 -1.642 . . . . 0.0 108.745 169.284 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.6 134.33 55.29 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.804 -176.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -74.18 115.27 13.48 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 173.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -63.94 -32.49 74.05 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . 0.465 HG23 ' N ' ' C' ' 66' ' ' SER . 5.2 t -72.45 -46.17 56.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -175.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . 0.465 ' N ' HG23 ' C' ' 65' ' ' THR . 0.1 OUTLIER -91.43 -20.54 21.68 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.497 -176.629 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 2.6 60.85 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.668 -0.518 . . . . 0.0 113.677 -171.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.44 130.0 39.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.724 1.262 . . . . 0.0 113.194 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 17.6 t -84.18 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.45 -28.92 15.22 Favored 'General case' 0 C--O 1.206 -1.232 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.98 -171.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -121.95 135.54 54.87 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.778 0.799 . . . . 0.0 109.413 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.98 103.32 2.39 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 tp -118.04 123.28 45.28 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.287 -174.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.89 124.28 33.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.392 1.091 . . . . 0.0 111.715 168.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.99 130.31 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.401 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.635 -174.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' C' ' 79' ' ' ASP . 8.6 m-85 -101.26 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.321 1.013 . . . . 0.0 110.885 173.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.25 133.86 57.87 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.962 2.441 . . . . 0.0 111.31 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . 0.413 ' OD1' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER 69.55 6.74 5.86 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 -175.69 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . 0.599 ' O ' ' CD2' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -70.4 -33.63 71.6 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.975 0.807 . . . . 0.0 109.558 176.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' C' ' 97' ' ' LYS . 1.7 p -154.86 168.2 27.72 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.651 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -133.43 139.34 46.67 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.534 -1.666 . . . . 0.0 106.998 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -106.75 124.14 49.18 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -148.5 156.47 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -67.75 142.81 56.14 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.416 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 73.6 t -94.22 98.43 2.91 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 171.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -61.12 -31.96 90.97 Favored 'Trans proline' 0 N--CA 1.476 0.478 0 N-CA-C 117.747 2.172 . . . . 0.0 117.747 -167.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -91.07 8.66 34.36 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.915 -1.514 . . . . 0.0 112.202 -164.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.14 119.63 72.64 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 174.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.91 -19.88 33.85 Favored 'Trans proline' 0 C--N 1.347 0.462 0 O-C-N 123.005 1.003 . . . . 0.0 114.456 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -34.66 78.79 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.378 0.535 . . . . 0.0 110.071 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.04 64.87 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.528 -172.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -120.99 17.08 11.72 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 70.1 t -97.05 133.38 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 173.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -124.97 151.79 45.03 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.463 1.727 . . . . 0.0 110.398 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 1.6 m -127.02 135.44 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 tt -95.47 108.08 20.28 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 169.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' C' ' 80' ' ' CYS . 0.0 OUTLIER -109.17 125.16 51.91 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -171.143 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.777 ' CD1' ' O ' ' C' ' 100' ' ' ALA . 11.8 t80 -84.85 115.66 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.154 0.909 . . . . 0.0 109.209 176.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -63.43 -25.07 68.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.432 -169.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . 0.777 ' O ' ' CD1' ' C' ' 98' ' ' PHE . . . -111.33 115.13 28.78 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.92 172.39 27.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -91.38 9.08 33.13 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.026 -0.69 . . . . 0.0 110.551 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -70.66 129.17 38.47 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 117.935 -1.506 . . . . 0.0 110.56 -165.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.73 46.17 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.938 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -124.5 126.21 45.49 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . 0.439 ' C ' ' SD ' ' C' ' 31' ' ' MET . 2.2 m-85 -100.94 143.68 30.79 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 124.698 1.249 . . . . 0.0 110.281 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -137.09 156.68 48.08 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.27 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.48 126.53 35.24 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.408 175.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.6 137.74 58.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.272 -174.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -118.89 3.99 11.51 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.256 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.19 135.87 93.69 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.117 1.436 . . . . 0.0 108.703 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.32 -41.34 42.48 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.561 -1.16 . . . . 0.0 112.44 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.11 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.7 t -83.39 -9.31 59.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.216 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -33.81 55.9 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -103.24 5.82 37.8 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -174.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -56.8 -48.86 76.99 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.309 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -32.27 70.71 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.556 -173.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -44.08 80.3 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 175.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -55.58 -45.88 77.31 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.025 -1.047 . . . . 0.0 112.355 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -43.04 97.8 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.677 0.751 . . . . 0.0 110.352 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -43.44 98.84 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.086 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -64.23 -42.37 96.59 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 40.9 t -52.23 -51.9 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.452 175.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . 0.518 ' HA ' HD23 ' C' ' 128' ' ' LEU . 22.7 m-20 -60.41 -39.5 87.62 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -46.1 81.94 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.437 -178.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -78.95 -24.45 43.91 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.495 -0.882 . . . . 0.0 112.44 -174.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.0 -36.18 41.67 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 119.796 -0.761 . . . . 0.0 112.243 174.429 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . 0.465 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 38.1 t30 -110.71 -11.12 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -168.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -141.23 71.92 27.1 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 169.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -78.98 167.88 21.44 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.677 1.585 . . . . 0.0 111.631 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 C--N 1.291 -2.489 0 C-N-CA 122.498 2.132 . . . . 0.0 111.608 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.7 mmt . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -91.12 138.22 31.77 Favored 'General case' 0 C--O 1.264 1.846 0 O-C-N 126.775 2.547 . . . . 0.0 108.865 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -131.25 163.05 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.361 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.483 ' CE1' HG22 ' A' ' 14' ' ' THR . 0.3 OUTLIER -115.98 140.22 49.47 Favored 'General case' 0 N--CA 1.513 2.697 1 O-C-N 130.564 4.915 . . . . 0.0 108.75 179.688 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -118.09 114.21 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-O 113.35 -3.214 . . . . 0.0 105.61 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -95.11 127.55 41.26 Favored 'General case' 0 N--CA 1.506 2.369 1 O-C-N 129.408 4.192 . . . . 0.0 107.906 -178.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -99.61 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.369 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.31 -7.04 49.87 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 124.144 0.902 . . . . 0.0 112.701 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -101.54 15.05 30.1 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.654 -2.418 . . . . 0.0 111.998 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 16.81 80.16 Favored Glycine 0 C--N 1.296 -1.647 0 O-C-N 120.35 -1.469 . . . . 0.0 116.081 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 138.1 34.6 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 174.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.99 131.58 55.2 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 126.652 2.47 . . . . 0.0 105.907 176.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.5 142.03 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 127.653 3.096 . . . . 0.0 108.911 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.483 HG22 ' CE1' ' A' ' 4' ' ' PHE . 1.2 p -101.41 139.74 36.66 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 117.157 -1.817 . . . . 0.0 108.188 178.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD21 HD13 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -126.49 154.03 44.32 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 115.408 -2.234 . . . . 0.0 108.245 -179.149 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -111.82 120.97 43.76 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.28 4.112 . . . . 0.0 103.781 173.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.9 170.69 15.91 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 O-C-N 127.634 3.083 . . . . 0.0 111.111 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.98 144.43 37.51 Favored Pre-proline 0 C--N 1.314 -0.944 0 CA-C-N 112.317 -2.22 . . . . 0.0 106.328 174.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -55.0 -24.28 39.0 Favored 'Trans proline' 0 C--N 1.32 -0.974 0 C-N-CA 122.537 2.158 . . . . 0.0 111.973 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -80.04 -8.17 59.23 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.925 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.09 148.5 47.42 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 117.392 -1.723 . . . . 0.0 109.722 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.73 160.48 21.27 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.81 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 1.252 HG21 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.43 -37.13 77.02 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 O-C-N 127.172 2.795 . . . . 0.0 110.272 175.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -40.19 78.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.363 -0.835 . . . . 0.0 110.706 177.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.29 -41.92 80.24 Favored 'General case' 0 C--O 1.262 1.762 0 O-C-N 121.809 -0.557 . . . . 0.0 110.949 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.27 -46.39 88.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 O-C-N 124.425 1.078 . . . . 0.0 109.173 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.818 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 19.4 mtmt -60.92 -37.96 84.11 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 118.806 -0.616 . . . . 0.0 110.577 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.623 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.08 -38.17 87.61 Favored 'General case' 0 C--O 1.276 2.499 0 CA-C-N 118.227 0.467 . . . . 0.0 111.125 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -37.48 87.58 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 120.438 -1.414 . . . . 0.0 110.676 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.416 HD13 HD21 ' A' ' 15' ' ' LEU . 15.6 mm -69.96 -39.56 77.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.13 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 1.193 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -62.25 -48.68 78.86 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 125.498 2.57 . . . . 0.0 109.101 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -41.78 65.92 Favored 'General case' 0 C--O 1.254 1.302 0 CA-C-N 113.491 -1.686 . . . . 0.0 111.891 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -93.59 -24.21 18.02 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 -175.803 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -123.47 -6.41 8.15 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 123.147 2.703 . . . . 0.0 114.241 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.7 89.97 Favored Glycine 0 CA--C 1.478 -2.27 0 N-CA-C 118.899 2.32 . . . . 0.0 118.899 176.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.193 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 16.8 mm -79.78 124.76 83.27 Favored Pre-proline 0 C--O 1.244 0.807 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.97 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.8 Cg_exo -56.94 136.84 79.0 Favored 'Trans proline' 0 C--O 1.258 1.513 0 C-N-CA 123.287 2.658 . . . . 0.0 110.863 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.785 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 27.2 Cg_exo -57.13 -31.94 91.91 Favored 'Trans proline' 0 C--O 1.262 1.724 0 O-C-N 122.993 0.996 . . . . 0.0 113.676 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.53 -15.29 63.49 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 119.959 -1.713 . . . . 0.0 112.226 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.93 -10.37 28.89 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.674 -1.266 . . . . 0.0 112.059 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -84.81 129.55 34.8 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 124.378 2.037 . . . . 0.0 115.711 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.421 ' HB2' HG13 ' A' ' 70' ' ' VAL . 7.3 mtp180 -120.97 116.1 24.44 Favored 'General case' 0 C--O 1.3 3.717 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 171.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.51 130.2 50.85 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 119.496 1.043 . . . . 0.0 109.908 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.598 ' O ' HG13 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -122.04 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 O-C-N 125.199 1.562 . . . . 0.0 111.861 -177.532 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . 0.493 ' N ' HD12 ' A' ' 44' ' ' ILE . 9.8 t80 -144.43 129.62 18.68 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.06 19.51 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 112.2 -2.273 . . . . 0.0 110.778 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.66 61.0 Favored Glycine 0 N--CA 1.432 -1.591 0 C-N-CA 128.596 2.998 . . . . 0.0 117.462 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -115.02 142.76 46.19 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.78 130.35 34.58 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 103.771 -2.677 . . . . 0.0 103.771 174.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.63 138.13 37.32 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.118 -175.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 1.252 ' O ' HG21 ' A' ' 23' ' ' ILE . 33.9 mm-40 -101.77 140.08 36.53 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 125.158 1.536 . . . . 0.0 110.017 -177.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.822 ' O ' HG23 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -47.93 -42.57 27.6 Favored 'General case' 0 C--O 1.264 1.831 0 N-CA-C 120.792 3.627 . . . . 0.0 120.792 -175.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.55 -8.92 85.48 Favored Glycine 0 CA--C 1.489 -1.56 0 N-CA-C 116.272 1.269 . . . . 0.0 116.272 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.8 ' O ' HG22 ' A' ' 23' ' ' ILE . 2.6 mmt85 -85.45 165.34 17.25 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 119.817 -1.99 . . . . 0.0 108.08 176.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -104.5 164.84 11.46 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 177.093 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.456 HD23 HG21 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -61.61 -36.01 79.51 Favored 'General case' 0 C--O 1.202 -1.396 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 177.321 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -29.52 70.66 Favored 'General case' 0 C--O 1.268 2.055 0 C-N-CA 117.375 -1.73 . . . . 0.0 112.225 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.6 -39.46 70.78 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 122.42 1.105 . . . . 0.0 110.686 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 60' ' ' ASN . 34.1 m-85 -90.84 4.65 51.2 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 117.662 -1.161 . . . . 0.0 112.939 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.531 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 11.8 p30 58.18 45.06 18.04 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 121.701 2.046 . . . . 0.0 111.226 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.456 HG21 HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -88.61 116.52 30.47 Favored 'Isoleucine or valine' 0 C--O 1.266 1.925 0 CA-C-O 115.221 -2.323 . . . . 0.0 106.178 175.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -103.59 169.66 8.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 126.012 2.07 . . . . 0.0 109.318 -176.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -54.87 142.89 27.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 123.259 1.504 . . . . 0.0 109.018 -176.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.54 ' O ' HD22 ' B' ' 8' ' ' LEU . 17.2 mm-40 67.06 19.21 10.52 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.7 p -71.18 159.5 34.55 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 174.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.13 126.76 52.38 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 118.209 -0.901 . . . . 0.0 108.865 175.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 mt -103.19 154.57 19.19 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 114.771 -2.538 . . . . 0.0 105.598 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -105.7 135.58 46.87 Favored 'General case' 0 C--N 1.287 -2.149 0 O-C-N 127.418 2.949 . . . . 0.0 105.815 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -106.8 115.81 30.84 Favored 'General case' 0 C--O 1.285 2.963 0 CA-C-O 117.64 -1.172 . . . . 0.0 111.518 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 42' ' ' ARG . 11.5 p -108.01 139.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 N-CA-C 103.58 -2.748 . . . . 0.0 103.58 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 71' ' ' LEU . 1.2 mm? -96.08 138.98 32.92 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.184 0.516 . . . . 0.0 109.86 178.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.278 -2.538 0 CA-C-O 113.167 -3.302 . . . . 0.0 105.585 178.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.946 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -90.88 138.47 31.57 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 127.192 2.808 . . . . 0.0 108.774 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . 0.523 HG23 ' N ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -131.09 163.09 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 CA-C-O 115.757 -2.068 . . . . 0.0 105.936 173.19 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.523 ' N ' HG23 ' B' ' 3' ' ' ILE . 19.5 m-30 -116.06 140.19 49.52 Favored 'General case' 0 N--CA 1.514 2.767 1 O-C-N 130.609 4.943 . . . . 0.0 108.564 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' VAL . . . . . 0.416 HG21 HD11 ' B' ' 15' ' ' LEU . 55.3 t -117.91 114.13 44.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-O 113.337 -3.22 . . . . 0.0 105.786 175.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.12 127.56 41.27 Favored 'General case' 0 N--CA 1.502 2.157 1 O-C-N 129.241 4.088 . . . . 0.0 108.176 -178.106 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.8 m -99.59 170.81 8.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.779 -1.105 . . . . 0.0 109.286 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LEU . . . . . 0.54 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -73.33 -6.97 49.56 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 124.159 0.912 . . . . 0.0 112.888 -178.293 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.22 14.82 30.76 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 115.652 -2.419 . . . . 0.0 112.038 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.73 80.07 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 120.285 -1.509 . . . . 0.0 116.045 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 137.87 34.76 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 174.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -119.9 131.87 55.37 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 126.423 2.327 . . . . 0.0 106.167 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -109.47 141.85 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 127.827 3.204 . . . . 0.0 109.14 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.9 t -101.23 139.89 36.29 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 117.017 -1.873 . . . . 0.0 108.364 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.416 HD11 HG21 ' B' ' 5' ' ' VAL . 33.5 mt -126.45 154.11 44.14 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.469 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.89 121.22 44.45 Favored 'General case' 0 N--CA 1.496 1.857 1 O-C-N 129.15 4.031 . . . . 0.0 103.47 174.052 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.12 170.62 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.201 0 O-C-N 127.767 3.167 . . . . 0.0 111.192 -177.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.12 144.62 38.17 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 112.051 -2.34 . . . . 0.0 106.297 174.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -54.9 -24.66 40.03 Favored 'Trans proline' 0 C--N 1.318 -1.053 0 C-N-CA 122.61 2.206 . . . . 0.0 111.618 177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 43.4 t -79.96 -8.21 59.21 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.878 -177.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.0 148.49 47.58 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 117.284 -1.766 . . . . 0.0 109.833 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.86 160.48 21.14 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 21.6 mm -61.42 -36.7 74.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 O-C-N 127.072 2.733 . . . . 0.0 110.446 175.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.2 -42.92 77.93 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 120.436 -1.415 . . . . 0.0 110.979 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.37 -44.54 91.06 Favored 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.304 1.042 . . . . 0.0 111.42 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.62 -46.27 90.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.903 1.377 . . . . 0.0 108.982 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -60.83 -37.95 83.79 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.858 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.02 86.97 Favored 'General case' 0 C--O 1.278 2.573 0 O-C-N 123.384 0.428 . . . . 0.0 111.31 176.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -64.14 -37.35 87.15 Favored 'General case' 0 C--O 1.254 1.29 0 O-C-N 120.428 -1.42 . . . . 0.0 110.802 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -39.77 78.3 Favored 'Isoleucine or valine' 0 C--O 1.255 1.361 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.91 -48.79 78.89 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 125.542 2.591 . . . . 0.0 109.1 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.45 -41.72 66.41 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.919 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -93.34 -24.45 18.11 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -175.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -123.66 -6.29 8.05 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 122.879 2.581 . . . . 0.0 113.778 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.05 5.54 90.06 Favored Glycine 0 CA--C 1.475 -2.459 0 N-CA-C 118.757 2.263 . . . . 0.0 118.757 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -79.95 125.06 82.71 Favored Pre-proline 0 C--O 1.242 0.673 0 C-N-CA 118.694 -1.202 . . . . 0.0 111.012 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 82.1 Cg_exo -57.06 137.03 80.12 Favored 'Trans proline' 0 C--O 1.256 1.392 0 C-N-CA 123.02 2.48 . . . . 0.0 110.835 178.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.8 Cg_exo -57.29 -32.2 93.05 Favored 'Trans proline' 0 C--O 1.261 1.658 0 O-C-N 122.999 0.999 . . . . 0.0 113.348 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.32 -15.6 63.62 Favored 'General case' 0 C--O 1.263 1.816 0 O-C-N 120.045 -1.66 . . . . 0.0 112.23 -177.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.806 ' HB3' HD11 ' B' ' 71' ' ' LEU . 71.2 mt-30 -95.35 -10.65 29.49 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.443 -1.41 . . . . 0.0 112.327 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -84.91 129.57 34.78 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 124.302 2.001 . . . . 0.0 115.688 -177.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -121.12 116.15 24.45 Favored 'General case' 0 C--O 1.298 3.613 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 172.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -103.57 130.22 50.95 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 119.513 1.051 . . . . 0.0 109.964 -177.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ILE . . . . . 0.521 HD11 ' O ' ' C' ' 99' ' ' LYS . 2.2 mt -122.03 131.58 72.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 125.065 1.478 . . . . 0.0 112.018 -177.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.16 129.8 19.15 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 177.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.99 19.54 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 112.051 -2.341 . . . . 0.0 110.69 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.12 59.54 Favored Glycine 0 C--N 1.298 -1.539 0 C-N-CA 128.202 2.811 . . . . 0.0 117.358 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.79 143.82 39.09 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 115.342 -2.266 . . . . 0.0 110.946 174.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . 0.551 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -87.11 130.24 34.59 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 173.294 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -79.58 138.43 37.45 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 117.603 -1.189 . . . . 0.0 110.068 -175.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.91 139.99 36.79 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 125.198 1.562 . . . . 0.0 109.903 -177.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.6 p30 -48.22 -42.05 29.06 Favored 'General case' 0 C--O 1.261 1.685 0 N-CA-C 120.815 3.635 . . . . 0.0 120.815 -175.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.45 85.29 Favored Glycine 0 CA--C 1.493 -1.304 0 N-CA-C 116.036 1.174 . . . . 0.0 116.036 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -85.65 165.4 17.03 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 120.176 -1.779 . . . . 0.0 107.967 176.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 30.3 p -104.43 164.41 11.76 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.421 HD22 HD13 ' B' ' 61' ' ' ILE . 10.1 mt -60.93 -36.44 79.33 Favored 'General case' 0 C--O 1.2 -1.542 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 177.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 8.3 p -63.66 -29.7 70.9 Favored 'General case' 0 C--O 1.266 1.963 0 C-N-CA 117.285 -1.766 . . . . 0.0 112.297 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.66 -39.12 70.48 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 122.513 1.149 . . . . 0.0 110.798 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' B' ' 60' ' ' ASN . 61.7 m-85 -91.0 4.45 52.03 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 117.539 -1.22 . . . . 0.0 112.881 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.523 ' CG ' ' O ' ' B' ' 59' ' ' TYR . 11.9 p30 57.87 45.52 18.31 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 121.708 2.049 . . . . 0.0 111.305 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ILE . . . . . 0.421 HD13 HD22 ' B' ' 56' ' ' LEU . 6.7 mt -88.87 116.27 30.18 Favored 'Isoleucine or valine' 0 C--O 1.27 2.172 0 CA-C-O 115.05 -2.405 . . . . 0.0 106.189 175.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.41 169.57 8.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 126.153 2.158 . . . . 0.0 109.673 -176.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.91 142.96 27.63 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 123.175 1.464 . . . . 0.0 109.232 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 66.94 19.2 10.63 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 117.822 2.527 . . . . 0.0 117.822 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -71.09 159.55 34.5 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.9 t -119.01 126.54 51.97 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-O 118.238 -0.887 . . . . 0.0 108.842 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -103.1 154.6 19.11 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.611 -2.614 . . . . 0.0 105.763 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' HIS . . . . . 0.42 ' NE2' HG22 ' B' ' 70' ' ' VAL . 5.9 t60 -105.56 135.89 46.14 Favored 'General case' 0 C--N 1.283 -2.309 0 O-C-N 127.564 3.04 . . . . 0.0 105.693 177.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tt -107.17 115.79 30.8 Favored 'General case' 0 C--O 1.284 2.898 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.341 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' VAL . . . . . 0.452 HG13 HD21 ' B' ' 8' ' ' LEU . 76.4 t -108.1 140.0 28.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 103.468 -2.79 . . . . 0.0 103.468 175.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' LEU . . . . . 0.806 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.16 -83.35 0.37 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.035 0.445 . . . . 0.0 109.802 178.395 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' ARG . . . . . 0.599 ' HB3' ' HA2' ' C' ' 101' ' ' GLY . 14.9 tpp180 . . . . . 0 C--N 1.277 -2.572 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.513 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.51 -0.594 0 CA-C-O 121.643 0.735 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.03 137.83 31.96 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.583 -178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.12 -39.61 75.34 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.922 172.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 97.2 t -144.38 136.08 21.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.203 1.401 . . . . 0.0 107.457 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -144.3 148.06 34.32 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.573 165.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -160.98 155.19 22.95 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.172 0.92 . . . . 0.0 111.198 173.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.23 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.331 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.14 147.71 6.79 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.023 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.96 164.89 25.21 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.235 -1.946 . . . . 0.0 108.235 175.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 -179.24 3.78 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 7.8 mtt -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' SER . . . . . 0.473 ' CB ' ' HZ3' ' C' ' 34' ' ' LYS . 0.9 OUTLIER -136.62 156.49 48.48 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.098 -1.441 . . . . 0.0 108.704 177.409 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' LEU . . . . . 0.915 ' O ' HD22 ' C' ' 33' ' ' LEU . 0.0 OUTLIER -92.67 116.17 28.77 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 177.242 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' LYS . . . . . 0.473 ' HZ3' ' CB ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -112.38 115.84 29.37 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.09 8.66 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -113.95 14.57 18.49 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.331 -0.434 . . . . 0.0 109.981 178.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 75.3 m -112.04 122.51 47.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -76.14 120.02 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.1 119.35 26.53 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.231 -173.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.86 134.86 59.62 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.924 -0.917 . . . . 0.0 111.827 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -85.76 132.19 34.18 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 172.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -11.2 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.13 144.45 56.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 -173.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 125.6 26.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' GLY . . . . . 0.445 ' HA3' ' HE1' ' C' ' 61' ' ' TRP . . . -132.37 171.22 21.6 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.204 1.447 . . . . 0.0 115.321 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tp -128.39 124.4 36.24 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -90.97 137.51 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 164.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -151.85 157.83 42.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.963 0.887 . . . . 0.0 112.999 175.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 9.9 mt -118.81 131.09 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.567 -1.651 . . . . 0.0 108.325 174.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.58 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.12 122.08 42.42 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 170.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -84.05 171.08 13.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.298 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -10.47 59.82 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 119.641 -0.824 . . . . 0.0 113.198 -170.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -82.65 7.41 14.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.017 171.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.9 -1.33 3.1 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.49 1.516 . . . . 0.0 114.665 -177.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.82 149.91 39.46 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 122.18 0.991 . . . . 0.0 113.111 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 19.4 mm -102.29 129.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.143 -177.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 58' ' ' HIS . . . . . 0.465 ' CE1' HD12 ' C' ' 74' ' ' ILE . 1.5 m80 -117.48 125.27 50.62 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -176.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -98.79 118.98 36.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 19.1 m -127.65 156.84 41.7 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -171.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 61' ' ' TRP . . . . . 0.445 ' HE1' ' HA3' ' C' ' 45' ' ' GLY . 67.0 t90 -130.43 128.26 40.95 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.755 169.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.68 134.28 55.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.11 -1.405 . . . . 0.0 109.773 -176.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.21 115.3 13.55 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -32.39 73.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.51 -46.08 56.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -175.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -20.4 21.75 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.551 -176.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.51 2.67 60.52 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.743 -0.476 . . . . 0.0 113.748 -171.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -72.44 129.99 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.711 1.256 . . . . 0.0 113.195 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 69' ' ' VAL . . . . . 0.409 HG12 ' H ' ' C' ' 69' ' ' VAL . 0.8 OUTLIER -84.17 109.16 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.426 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -94.5 -28.84 15.24 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.999 -171.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -121.99 135.63 54.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.82 0.819 . . . . 0.0 109.383 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.1 103.22 2.36 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 -178.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.0 123.24 45.23 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.304 -174.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 74' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' C' ' 58' ' ' HIS . 3.5 mm -75.77 124.24 33.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.39 1.091 . . . . 0.0 111.729 168.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 75' ' ' ILE . . . . . 0.472 HD12 ' OD2' ' C' ' 79' ' ' ASP . 24.8 mm -122.94 130.3 74.56 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.386 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.669 -174.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 76' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -101.25 158.94 30.84 Favored Pre-proline 0 C--O 1.24 0.576 0 O-C-N 124.376 1.048 . . . . 0.0 110.885 173.695 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 77' ' ' PRO . . . . . 0.421 ' O ' ' CZ ' ' C' ' 76' ' ' PHE . 52.1 Cg_exo -54.28 133.88 58.04 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.319 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.53 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 79' ' ' ASP . . . . . 0.472 ' OD2' HD12 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -70.48 -33.48 71.3 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.01 0.823 . . . . 0.0 109.584 176.828 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 80' ' ' CYS . . . . . 0.487 ' HG ' ' HE1' ' C' ' 82' ' ' PHE . 18.1 p -154.97 168.1 28.1 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.582 -173.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -133.38 139.33 46.72 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 113.473 -1.694 . . . . 0.0 107.009 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 82' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' C' ' 128' ' ' LEU . 2.6 m-85 -106.78 124.24 49.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -148.56 156.47 42.48 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -177.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -67.79 142.73 56.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 70.0 t -94.19 98.36 2.85 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 171.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.02 -31.88 91.67 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 N-CA-C 117.809 2.196 . . . . 0.0 117.809 -167.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.15 8.59 34.93 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 117.983 -1.487 . . . . 0.0 112.207 -164.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 17.0 m -85.01 119.65 72.77 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -56.85 -19.98 33.92 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 122.99 0.995 . . . . 0.0 114.467 -173.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -34.57 78.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.347 0.521 . . . . 0.0 110.062 178.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 13.04 64.8 Favored Glycine 0 CA--C 1.505 -0.549 0 O-C-N 123.963 0.789 . . . . 0.0 111.528 -172.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -120.99 17.07 11.72 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.04 133.4 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 94' ' ' TYR . . . . . 0.767 ' CD2' ' HB2' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -124.98 151.83 44.99 Favored 'General case' 0 CA--C 1.501 -0.941 0 O-C-N 125.467 1.729 . . . . 0.0 110.479 178.615 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 95' ' ' VAL . . . . . 0.561 ' N ' ' CD1' ' C' ' 94' ' ' TYR . 2.6 p -127.02 135.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 96' ' ' LEU . . . . . 0.561 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 0.0 OUTLIER -95.5 108.14 20.35 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 169.083 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -109.25 125.13 51.94 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -171.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 98' ' ' PHE . . . . . 0.561 ' HE1' HD11 ' C' ' 96' ' ' LEU . 6.5 m-30 -84.74 115.58 22.78 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.071 0.857 . . . . 0.0 109.226 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 99' ' ' LYS . . . . . 0.551 ' HA ' ' HB2' ' B' ' 49' ' ' GLN . 3.0 ttpp -63.37 -25.13 68.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.397 -169.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.32 115.16 28.83 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 173.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 101' ' ' GLY . . . . . 0.599 ' HA2' ' HB3' ' B' ' 72' ' ' ARG . . . 101.92 172.37 27.7 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 42.2 p -91.35 9.09 33.05 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.058 -0.672 . . . . 0.0 110.601 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 129.2 38.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.897 -1.521 . . . . 0.0 110.602 -165.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.72 46.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.967 175.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -124.51 126.24 45.53 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -100.9 143.63 30.81 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 124.698 1.249 . . . . 0.0 110.256 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 107' ' ' PHE . . . . . 0.767 ' HB2' ' CD2' ' C' ' 94' ' ' TYR . 8.1 m-85 -137.09 156.66 48.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.234 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -131.47 126.61 35.47 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.397 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.69 137.77 58.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.257 -174.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -118.82 3.93 11.56 Favored 'General case' 0 N--CA 1.428 -1.534 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.31 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.31 135.95 93.92 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.107 1.432 . . . . 0.0 108.685 172.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.25 -41.39 42.63 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.08 146.93 24.23 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.487 173.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.2 m -83.37 -9.3 59.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.221 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -33.77 56.17 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -169.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -103.23 5.83 37.84 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.307 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.29 70.64 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.527 -173.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -44.06 80.35 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.833 0.349 . . . . 0.0 110.882 175.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -55.65 -45.84 77.58 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.069 -1.02 . . . . 0.0 112.299 173.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 121' ' ' CYS . . . . . 0.806 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 0.5 OUTLIER -60.59 -43.07 97.81 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.677 0.751 . . . . 0.0 110.352 178.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -43.38 98.96 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.124 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -64.23 -42.38 96.57 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 124' ' ' VAL . . . . . 0.806 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 6.3 m -52.22 -51.94 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.422 175.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 125' ' ' ASN . . . . . 0.519 ' HA ' HD23 ' C' ' 128' ' ' LEU . 30.5 t-20 -60.33 -39.52 87.37 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.22 -46.05 82.24 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 120.827 0.346 . . . . 0.0 111.502 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -79.04 -24.37 43.64 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.44 -0.904 . . . . 0.0 112.4 -174.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 128' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' C' ' 82' ' ' PHE . 0.4 OUTLIER -79.14 -36.03 41.16 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.774 -0.77 . . . . 0.0 112.247 174.468 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 129' ' ' ASN . . . . . 0.473 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 28.4 t-20 -110.75 -11.17 14.42 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -168.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -141.16 71.85 27.47 Favored Pre-proline 0 N--CA 1.467 0.401 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 169.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.67 170.7 17.81 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.661 1.574 . . . . 0.0 111.641 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo . . . . . 0 C--N 1.289 -2.553 0 C-N-CA 122.442 2.095 . . . . 0.0 111.617 179.795 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.1 mtt . . . . . 0 CA--C 1.549 0.941 0 N-CA-C 106.857 -1.534 . . . . 0.0 106.857 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -91.12 138.28 31.72 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 126.86 2.6 . . . . 0.0 108.852 178.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.23 162.99 38.27 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.356 0 N-CA-C 105.558 -2.016 . . . . 0.0 105.558 173.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.96 140.17 49.52 Favored 'General case' 0 N--CA 1.514 2.749 1 O-C-N 130.524 4.89 . . . . 0.0 108.778 179.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 2.0 t -118.05 114.26 44.71 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.75 0 CA-C-O 113.402 -3.189 . . . . 0.0 105.602 175.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 127.52 41.33 Favored 'General case' 0 N--CA 1.507 2.397 1 O-C-N 129.429 4.205 . . . . 0.0 107.933 -178.156 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 29.3 p -99.57 170.72 8.4 Favored 'General case' 0 C--N 1.354 0.774 0 CA-C-O 117.86 -1.067 . . . . 0.0 109.381 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.29 -7.02 49.78 Favored 'General case' 0 N--CA 1.479 1.007 0 O-C-N 124.079 0.862 . . . . 0.0 112.688 -177.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.57 15.1 29.95 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 115.616 -2.434 . . . . 0.0 111.976 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.36 16.68 80.19 Favored Glycine 0 C--N 1.298 -1.575 0 O-C-N 120.187 -1.571 . . . . 0.0 116.101 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 tptp -96.48 138.13 34.52 Favored 'General case' 0 C--N 1.31 -1.13 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 175.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.6 p -119.97 131.64 55.24 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.62 2.45 . . . . 0.0 105.937 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 21.6 pt -109.58 141.92 23.52 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 127.706 3.129 . . . . 0.0 108.909 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.9 t -101.38 139.66 36.73 Favored 'General case' 0 N--CA 1.495 1.783 0 C-N-CA 117.135 -1.826 . . . . 0.0 108.23 178.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 15.6 mt -126.37 154.01 44.15 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 115.351 -2.261 . . . . 0.0 108.43 -179.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -111.83 121.0 43.88 Favored 'General case' 0 N--CA 1.499 2.019 1 O-C-N 129.283 4.114 . . . . 0.0 103.642 173.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.4 t -138.91 170.61 16.02 Favored 'Isoleucine or valine' 0 C--O 1.255 1.367 0 O-C-N 127.537 3.023 . . . . 0.0 111.195 -177.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.95 144.5 37.63 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 112.354 -2.203 . . . . 0.0 106.36 174.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.2 Cg_exo -54.96 -24.35 39.06 Favored 'Trans proline' 0 C--N 1.321 -0.911 0 C-N-CA 122.423 2.082 . . . . 0.0 112.015 177.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -8.13 59.2 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 117.994 -1.003 . . . . 0.0 110.903 -177.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -70.99 148.39 47.69 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 117.503 -1.679 . . . . 0.0 109.814 -179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.73 160.56 21.25 Favored 'General case' 0 CA--C 1.547 0.863 0 N-CA-C 108.223 -1.029 . . . . 0.0 108.223 175.779 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.965 HG21 HD13 ' A' ' 50' ' ' LEU . 1.6 mp -61.55 -37.03 76.91 Favored 'Isoleucine or valine' 0 C--O 1.246 0.884 0 O-C-N 127.304 2.877 . . . . 0.0 110.258 175.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 1.025 ' O ' ' HG2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -57.51 -40.26 78.3 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 121.229 -0.919 . . . . 0.0 110.792 176.939 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.21 -41.97 80.54 Favored 'General case' 0 C--O 1.263 1.77 0 O-C-N 121.801 -0.562 . . . . 0.0 110.953 -178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 70.4 t -58.27 -46.44 88.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 O-C-N 124.4 1.063 . . . . 0.0 109.159 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 1.025 ' HG2' ' O ' ' A' ' 24' ' ' GLU . 15.3 pttp -60.77 -37.91 83.46 Favored 'General case' 0 C--O 1.26 1.623 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.76 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.447 ' N ' ' CG ' ' A' ' 27' ' ' LYS . . . -66.21 -38.02 86.98 Favored 'General case' 0 C--O 1.277 2.501 0 CA-C-N 118.178 0.445 . . . . 0.0 111.184 176.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -64.19 -37.44 87.48 Favored 'General case' 0 C--O 1.254 1.309 0 O-C-N 120.441 -1.412 . . . . 0.0 110.697 176.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 65.8 mt -69.98 -39.59 77.62 Favored 'Isoleucine or valine' 0 C--O 1.251 1.144 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -62.21 -48.67 78.98 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.538 2.589 . . . . 0.0 109.138 179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.3 -41.73 65.92 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.455 -1.702 . . . . 0.0 111.931 178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 0.1 OUTLIER -93.56 -24.29 18.01 Favored 'General case' 0 C--O 1.28 2.703 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 -175.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -123.37 -6.38 8.21 Favored 'General case' 0 C--N 1.304 -1.39 0 CA-C-N 123.053 2.661 . . . . 0.0 114.245 179.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.97 5.68 89.98 Favored Glycine 0 CA--C 1.477 -2.324 0 N-CA-C 118.955 2.342 . . . . 0.0 118.955 176.51 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 22.6 mm -79.8 124.73 83.25 Favored Pre-proline 0 C--O 1.243 0.758 0 C-N-CA 118.909 -1.117 . . . . 0.0 110.954 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.1 Cg_exo -56.91 136.8 78.68 Favored 'Trans proline' 0 C--O 1.259 1.553 0 C-N-CA 123.293 2.662 . . . . 0.0 110.85 178.278 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.578 ' HB3' ' HD2' ' A' ' 27' ' ' LYS . 53.4 Cg_exo -57.18 -31.89 91.87 Favored 'Trans proline' 0 C--O 1.262 1.7 0 O-C-N 123.023 1.012 . . . . 0.0 113.634 -179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -68.52 -15.36 63.51 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 119.939 -1.726 . . . . 0.0 112.161 -177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.94 -10.3 29.05 Favored 'General case' 0 N--CA 1.483 1.178 0 O-C-N 120.718 -1.239 . . . . 0.0 112.11 178.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -84.86 129.68 34.77 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-O 124.417 2.056 . . . . 0.0 115.73 -177.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -121.1 116.11 24.38 Favored 'General case' 0 C--O 1.299 3.677 0 N-CA-C 104.905 -2.258 . . . . 0.0 104.905 171.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.612 ' CB ' HD21 ' A' ' 50' ' ' LEU . 2.8 mm? -103.53 130.19 50.88 Favored 'General case' 0 N--CA 1.488 1.442 0 CA-C-N 119.476 1.034 . . . . 0.0 109.921 -177.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.533 HD13 ' HA ' ' A' ' 49' ' ' GLN . 42.4 mm -122.02 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.86 0 O-C-N 125.1 1.5 . . . . 0.0 111.919 -177.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -144.39 129.53 18.63 Favored 'General case' 0 C--N 1.359 0.993 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 46.15 19.72 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.256 -2.247 . . . . 0.0 110.719 177.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.45 ' O ' ' O ' ' C' ' 74' ' ' ILE . . . 61.55 21.75 60.72 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 128.703 3.049 . . . . 0.0 117.488 -179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.9 mttt -115.03 142.82 46.12 Favored 'General case' 0 C--N 1.307 -1.245 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 177.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.533 ' HA ' HD13 ' A' ' 44' ' ' ILE . 4.4 mt-30 -85.83 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.528 0 N-CA-C 103.809 -2.663 . . . . 0.0 103.809 174.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 1.174 ' O ' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -79.52 138.18 37.43 Favored 'General case' 0 C--N 1.313 -1.017 0 CA-C-O 117.651 -1.166 . . . . 0.0 110.175 -175.904 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -101.87 140.07 36.65 Favored 'General case' 0 N--CA 1.479 1.011 0 O-C-N 125.041 1.463 . . . . 0.0 109.942 -177.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -47.91 -42.54 27.38 Favored 'General case' 0 C--O 1.264 1.824 0 N-CA-C 120.775 3.621 . . . . 0.0 120.775 -175.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 -8.85 85.51 Favored Glycine 0 CA--C 1.49 -1.502 0 N-CA-C 116.276 1.271 . . . . 0.0 116.276 -177.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.9 mtt180 -85.42 165.41 17.22 Favored 'General case' 0 C--O 1.251 1.179 0 O-C-N 119.761 -2.023 . . . . 0.0 108.024 176.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 25.5 p -104.52 164.8 11.49 Favored 'General case' 0 C--N 1.306 -1.284 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 176.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.46 HD22 HD13 ' A' ' 61' ' ' ILE . 41.6 mt -61.57 -35.99 79.38 Favored 'General case' 0 C--O 1.201 -1.448 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.271 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 11.7 t -64.22 -29.44 70.55 Favored 'General case' 0 C--O 1.268 2.054 0 C-N-CA 117.287 -1.765 . . . . 0.0 112.206 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -55.53 -39.56 70.7 Favored 'General case' 0 N--CA 1.487 1.379 0 CA-C-O 122.39 1.09 . . . . 0.0 110.619 179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -90.85 4.69 51.1 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 117.694 -1.145 . . . . 0.0 112.999 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 36.8 t30 58.15 45.21 17.9 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 121.574 1.988 . . . . 0.0 111.146 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.46 HD13 HD22 ' A' ' 56' ' ' LEU . 1.7 mt -88.78 116.43 30.39 Favored 'Isoleucine or valine' 0 C--O 1.266 1.958 0 CA-C-O 115.196 -2.335 . . . . 0.0 106.156 175.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -103.45 169.71 8.38 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 126.034 2.084 . . . . 0.0 109.379 -176.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -54.9 142.91 27.78 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-O 123.253 1.502 . . . . 0.0 109.077 -176.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.712 ' O ' HD13 ' B' ' 8' ' ' LEU . 0.4 OUTLIER 67.1 19.22 10.48 Favored 'General case' 0 C--O 1.254 1.329 0 N-CA-C 117.912 2.56 . . . . 0.0 117.912 179.271 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -71.26 159.61 34.3 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 107.273 -1.381 . . . . 0.0 107.273 174.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -119.21 126.82 52.44 Favored 'General case' 0 C--N 1.308 -1.207 0 CA-C-O 118.149 -0.929 . . . . 0.0 108.79 175.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.6 mt -103.15 154.54 19.2 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.763 -2.541 . . . . 0.0 105.624 175.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.804 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -105.66 135.68 46.63 Favored 'General case' 0 C--N 1.287 -2.13 0 O-C-N 127.42 2.95 . . . . 0.0 105.941 177.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 14.8 tp -106.97 115.84 30.88 Favored 'General case' 0 C--O 1.284 2.872 0 CA-C-O 117.62 -1.181 . . . . 0.0 111.384 176.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.0 139.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.922 0 N-CA-C 103.654 -2.721 . . . . 0.0 103.654 175.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.4 mp -96.1 138.85 33.12 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.199 0.523 . . . . 0.0 109.864 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.44 125.98 26.39 Favored 'General case' 0 C--N 1.278 -2.512 0 CA-C-O 113.14 -3.315 . . . . 0.0 105.558 178.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.1 tt 68.38 88.63 0.11 Allowed 'General case' 0 C--N 1.29 -2.015 0 O-C-N 125.939 2.024 . . . . 0.0 109.563 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -103.04 131.37 50.07 Favored 'General case' 0 C--O 1.246 0.886 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.857 -179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.18 172.87 20.76 Favored Glycine 0 C--O 1.246 0.905 0 CA-C-N 114.541 -1.209 . . . . 0.0 115.145 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.452 0 N-CA-C 108.276 -1.93 . . . . 0.0 108.276 179.555 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.6 ptp . . . . . 0 CA--C 1.548 0.888 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -90.96 138.51 31.55 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 127.142 2.777 . . . . 0.0 108.731 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -131.2 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.243 0 CA-C-O 115.816 -2.04 . . . . 0.0 105.902 173.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.3 m-85 -116.0 140.18 49.52 Favored 'General case' 0 N--CA 1.514 2.761 1 O-C-N 130.573 4.921 . . . . 0.0 108.595 179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.437 HG13 ' HB ' ' B' ' 13' ' ' ILE . 0.1 OUTLIER -117.92 114.18 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 CA-C-O 113.444 -3.17 . . . . 0.0 105.776 175.509 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.2 127.59 41.37 Favored 'General case' 0 N--CA 1.502 2.156 1 O-C-N 129.162 4.039 . . . . 0.0 108.131 -178.1 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 3.9 p -99.58 170.82 8.32 Favored 'General case' 0 C--N 1.353 0.732 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.297 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.712 HD13 ' O ' ' A' ' 64' ' ' GLU . 0.2 OUTLIER -73.32 -7.01 49.76 Favored 'General case' 0 N--CA 1.482 1.14 0 O-C-N 124.105 0.878 . . . . 0.0 112.879 -178.3 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 1.4 t -101.14 14.73 31.04 Favored 'General case' 0 N--CA 1.506 2.356 0 C-N-CA 115.661 -2.415 . . . . 0.0 112.009 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.67 80.05 Favored Glycine 0 C--N 1.295 -1.704 0 O-C-N 120.162 -1.586 . . . . 0.0 116.034 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.27 137.92 34.64 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 105.554 -2.017 . . . . 0.0 105.554 174.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.89 131.88 55.38 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 126.401 2.313 . . . . 0.0 106.174 176.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.437 ' HB ' HG13 ' B' ' 5' ' ' VAL . 1.7 mp -109.51 141.8 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 127.746 3.154 . . . . 0.0 109.099 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.9 t -101.25 139.9 36.29 Favored 'General case' 0 N--CA 1.496 1.841 0 C-N-CA 116.933 -1.907 . . . . 0.0 108.404 177.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 20.0 mt -126.52 154.01 44.4 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 115.494 -2.193 . . . . 0.0 108.437 -179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -111.8 121.11 44.18 Favored 'General case' 0 N--CA 1.497 1.91 1 O-C-N 129.283 4.114 . . . . 0.0 103.52 174.103 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 17.4 m -139.02 170.63 15.88 Favored 'Isoleucine or valine' 0 C--O 1.254 1.321 0 O-C-N 127.798 3.186 . . . . 0.0 111.272 -177.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -120.04 144.65 38.09 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.314 174.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -55.03 -24.63 40.9 Favored 'Trans proline' 0 C--N 1.317 -1.097 0 C-N-CA 122.627 2.218 . . . . 0.0 111.515 178.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -8.2 59.18 Favored 'General case' 0 C--O 1.242 0.683 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.878 -177.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -70.97 148.61 47.5 Favored 'General case' 0 N--CA 1.489 1.495 0 C-N-CA 117.31 -1.756 . . . . 0.0 109.742 -179.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.2 p -83.97 160.49 21.03 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 175.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.413 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 20.7 mm -61.46 -36.66 74.56 Favored 'Isoleucine or valine' 0 C--O 1.24 0.6 0 O-C-N 126.921 2.638 . . . . 0.0 110.449 175.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.778 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.19 -42.98 78.0 Favored 'General case' 0 C--O 1.252 1.186 0 O-C-N 120.363 -1.461 . . . . 0.0 110.969 176.287 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -64.3 -44.62 91.07 Favored 'General case' 0 C--O 1.249 1.059 0 C-N-CA 124.264 1.025 . . . . 0.0 111.436 -179.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.74 ' O ' HG23 ' B' ' 30' ' ' ILE . 2.3 t -58.59 -46.25 90.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 O-C-N 124.886 1.366 . . . . 0.0 108.994 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.497 ' O ' HG13 ' B' ' 30' ' ' ILE . 23.4 mtpt -60.78 -38.02 83.86 Favored 'General case' 0 C--O 1.256 1.402 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.805 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.28 -37.95 86.63 Favored 'General case' 0 C--O 1.279 2.624 0 O-C-N 123.468 0.48 . . . . 0.0 111.387 176.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -64.03 -37.5 87.67 Favored 'General case' 0 C--O 1.254 1.3 0 O-C-N 120.438 -1.414 . . . . 0.0 110.825 175.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.74 HG23 ' O ' ' B' ' 26' ' ' VAL . 0.6 OUTLIER -69.69 -39.72 78.44 Favored 'Isoleucine or valine' 0 C--O 1.254 1.297 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 179.87 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 0.469 ' N ' HG13 ' B' ' 30' ' ' ILE . 2.5 tt0 -62.0 -48.86 78.42 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-O 125.547 2.594 . . . . 0.0 108.968 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -53.35 -41.86 66.24 Favored 'General case' 0 C--O 1.257 1.479 0 CA-C-N 113.66 -1.609 . . . . 0.0 111.82 179.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.4 OUTLIER -93.36 -24.32 18.13 Favored 'General case' 0 C--O 1.28 2.7 0 N-CA-C 117.231 2.308 . . . . 0.0 117.231 -175.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -123.68 -6.4 8.03 Favored 'General case' 0 C--N 1.306 -1.298 0 CA-C-N 122.938 2.608 . . . . 0.0 113.784 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.09 5.6 90.0 Favored Glycine 0 CA--C 1.476 -2.379 0 N-CA-C 118.744 2.257 . . . . 0.0 118.744 176.552 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.728 HG22 HD11 ' B' ' 30' ' ' ILE . 1.4 mt -79.85 125.1 82.82 Favored Pre-proline 0 C--O 1.241 0.655 0 C-N-CA 118.682 -1.207 . . . . 0.0 111.003 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.47 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 82.7 Cg_exo -57.2 137.0 79.79 Favored 'Trans proline' 0 C--O 1.256 1.384 0 C-N-CA 122.935 2.424 . . . . 0.0 110.899 178.208 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.7 Cg_exo -57.21 -32.25 92.98 Favored 'Trans proline' 0 C--O 1.261 1.659 0 O-C-N 123.141 1.074 . . . . 0.0 113.324 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.29 -15.52 63.6 Favored 'General case' 0 C--O 1.264 1.867 0 O-C-N 120.014 -1.679 . . . . 0.0 112.239 -177.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.502 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.1 OUTLIER -95.52 -10.59 29.26 Favored 'General case' 0 N--CA 1.482 1.143 0 O-C-N 120.462 -1.399 . . . . 0.0 112.207 178.405 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 -84.84 129.66 34.78 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-O 124.207 1.955 . . . . 0.0 115.682 -177.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 tpm_? -121.22 116.15 24.36 Favored 'General case' 0 C--O 1.299 3.663 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 mt -103.63 130.33 51.06 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.484 1.038 . . . . 0.0 109.958 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -122.01 131.56 72.86 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.692 0 O-C-N 125.122 1.514 . . . . 0.0 111.987 -177.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.25 129.83 19.07 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 105.339 -2.097 . . . . 0.0 105.339 177.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 45.98 19.82 Favored 'General case' 0 C--N 1.311 -1.084 0 CA-C-N 111.979 -2.373 . . . . 0.0 110.693 177.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 20.27 59.5 Favored Glycine 0 C--N 1.298 -1.542 0 C-N-CA 128.217 2.818 . . . . 0.0 117.372 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -109.95 143.83 39.34 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-O 115.371 -2.252 . . . . 0.0 110.912 174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.471 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.1 OUTLIER -87.17 130.34 34.58 Favored 'General case' 0 C--N 1.281 -2.411 0 N-CA-C 103.971 -2.603 . . . . 0.0 103.971 173.38 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -79.58 138.37 37.44 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 117.576 -1.202 . . . . 0.0 110.074 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -101.94 139.98 36.84 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 125.178 1.549 . . . . 0.0 109.924 -177.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.778 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.8 OUTLIER -48.17 -42.08 28.67 Favored 'General case' 0 C--O 1.262 1.723 0 N-CA-C 120.782 3.623 . . . . 0.0 120.782 -175.764 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.19 -8.58 85.22 Favored Glycine 0 CA--C 1.493 -1.339 0 N-CA-C 115.991 1.156 . . . . 0.0 115.991 -177.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -85.6 165.33 17.13 Favored 'General case' 0 C--O 1.251 1.177 0 O-C-N 120.138 -1.801 . . . . 0.0 108.037 176.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.451 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 45.1 p -104.44 164.46 11.73 Favored 'General case' 0 C--N 1.312 -1.054 0 N-CA-C 106.743 -1.577 . . . . 0.0 106.743 177.078 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.461 HD22 HD13 ' B' ' 61' ' ' ILE . 40.5 mt -61.01 -36.42 79.46 Favored 'General case' 0 C--O 1.201 -1.47 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 177.28 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 54.4 p -63.66 -29.81 71.0 Favored 'General case' 0 C--O 1.267 2.024 0 C-N-CA 117.29 -1.764 . . . . 0.0 112.135 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -55.62 -39.06 70.31 Favored 'General case' 0 N--CA 1.485 1.305 0 CA-C-O 122.554 1.169 . . . . 0.0 110.861 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -91.04 4.5 51.95 Favored 'General case' 0 C--N 1.302 -1.482 0 CA-C-O 117.654 -1.165 . . . . 0.0 112.942 179.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.87 45.44 18.43 Favored 'General case' 0 C--O 1.247 0.957 0 CA-C-N 121.666 2.03 . . . . 0.0 111.301 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.461 HD13 HD22 ' B' ' 56' ' ' LEU . 8.3 mt -88.78 116.19 29.98 Favored 'Isoleucine or valine' 0 C--O 1.27 2.153 0 CA-C-O 115.106 -2.378 . . . . 0.0 106.259 175.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -103.29 169.62 8.44 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 126.048 2.093 . . . . 0.0 109.783 -176.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 142.9 28.22 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 123.071 1.415 . . . . 0.0 109.287 -176.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 67.1 19.05 10.5 Favored 'General case' 0 C--O 1.256 1.437 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.4 t -71.06 159.47 34.67 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 174.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 50.9 m -118.9 126.6 52.16 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-O 118.108 -0.948 . . . . 0.0 108.896 175.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 17.5 mt -103.13 154.59 19.14 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.726 -2.559 . . . . 0.0 105.703 175.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -105.58 135.73 46.45 Favored 'General case' 0 C--N 1.283 -2.295 0 O-C-N 127.489 2.993 . . . . 0.0 105.714 177.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tp -107.03 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.865 0 CA-C-O 117.65 -1.167 . . . . 0.0 111.43 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.528 ' HA ' HD11 ' B' ' 8' ' ' LEU . 0.2 OUTLIER -108.17 139.96 28.42 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 103.462 -2.792 . . . . 0.0 103.462 175.2 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.584 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.6 tt -96.11 -83.52 0.37 Allowed 'General case' 0 N--CA 1.478 0.928 0 CA-C-O 121.1 0.476 . . . . 0.0 109.805 178.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.518 ' HB2' ' HA2' ' C' ' 101' ' ' GLY . 6.5 mmm180 46.78 80.69 0.05 OUTLIER 'General case' 0 C--N 1.278 -2.515 0 CA-C-O 113.411 -3.185 . . . . 0.0 105.407 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 tp -53.68 -87.08 0.0 OUTLIER 'General case' 0 C--N 1.293 -1.872 0 O-C-N 125.696 1.872 . . . . 0.0 109.683 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 12.3 mtm180 -52.94 176.29 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 113.84 -1.527 . . . . 0.0 108.736 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -131.85 110.84 0.99 Allowed Glycine 0 C--O 1.245 0.834 0 CA-C-N 114.776 -1.102 . . . . 0.0 115.196 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.432 0 CA-C-O 116.601 -2.221 . . . . 0.0 108.296 179.1 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.526 0 CA-C-O 121.89 0.852 . . . . 0.0 110.973 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.22 -174.17 0.09 Allowed 'General case' 0 C--N 1.289 -2.034 0 O-C-N 119.15 -2.219 . . . . 0.0 111.047 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -107.88 -51.69 2.87 Favored 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.765 2.026 . . . . 0.0 110.701 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -89.09 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.558 -178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.648 HD22 ' CE1' ' C' ' 127' ' ' TYR . 8.9 mt -70.2 -39.6 75.09 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.675 0.75 . . . . 0.0 111.885 172.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.9 t -144.3 136.11 22.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.233 1.413 . . . . 0.0 107.474 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -144.34 148.03 34.23 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.59 165.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -161.01 155.17 22.84 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.263 0.977 . . . . 0.0 111.181 173.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 15.6 mmt85 -72.21 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.331 178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.61 ' HB1' ' CD2' ' C' ' 107' ' ' PHE . . . -166.16 147.73 6.78 Favored 'General case' 0 C--O 1.251 1.175 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.077 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.89 25.12 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 108.247 -1.941 . . . . 0.0 108.247 175.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.17 -179.22 3.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.8 mtt -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 1.5 m -136.64 156.57 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.108 -1.437 . . . . 0.0 108.781 177.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 9.7 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.28 -116.09 8.67 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 4.8 t -113.95 14.55 18.49 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.332 -0.434 . . . . 0.0 110.018 178.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 85.9 m -111.96 122.48 47.89 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 -172.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 44.6 t -76.08 119.99 25.19 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.2 m -124.08 119.31 26.56 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.17 -173.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.91 134.81 59.11 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 117.935 -0.91 . . . . 0.0 111.863 173.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 172.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.21 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -67.08 144.41 56.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.11 125.58 26.81 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . 0.445 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.26 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.221 1.456 . . . . 0.0 115.299 -179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 3.4 tt -128.39 124.38 36.17 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.289 -1.745 . . . . 0.0 106.289 175.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 5.1 m -91.0 137.54 21.52 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.12 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 164.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -151.86 157.82 42.4 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.964 0.888 . . . . 0.0 113.032 175.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.586 HG23 HD13 ' C' ' 57' ' ' ILE . 1.8 mp -118.81 131.08 72.62 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.599 -1.637 . . . . 0.0 108.325 174.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -134.05 137.64 44.8 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -100.16 122.04 42.37 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 77.7 p -84.1 171.12 13.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.248 0.546 . . . . 0.0 111.248 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -71.53 -10.44 59.77 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 119.691 -0.804 . . . . 0.0 113.165 -170.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m 73.8 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 125.404 1.482 . . . . 0.0 114.791 -177.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mp -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.677 HD12 ' N ' ' C' ' 58' ' ' HIS . 0.1 OUTLIER -102.19 129.08 54.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.176 -177.639 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.677 ' N ' HD12 ' C' ' 57' ' ' ILE . 13.3 m-70 -117.64 125.32 50.53 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -176.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -98.8 118.98 36.77 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 75.5 m -127.65 156.85 41.68 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -171.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.5 128.26 40.83 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.587 -1.642 . . . . 0.0 108.763 169.223 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.62 134.32 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.03 -1.441 . . . . 0.0 109.745 -176.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -74.26 115.36 13.68 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -63.98 -32.47 74.02 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -176.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.51 -46.13 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 3.7 t -91.46 -20.44 21.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.574 -176.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.5 2.72 60.6 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 80.5 t -84.19 109.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -94.54 -28.83 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.931 -171.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -121.99 135.51 54.85 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.838 0.828 . . . . 0.0 109.415 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.96 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.08 123.23 45.12 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.236 -174.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . 0.45 ' O ' ' O ' ' A' ' 47' ' ' GLY . 1.3 pt -75.86 124.3 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.392 1.091 . . . . 0.0 111.742 168.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.971 HG21 HD12 ' C' ' 128' ' ' LEU . 4.8 mm -122.96 130.33 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.632 -174.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.27 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.467 1.105 . . . . 0.0 110.861 173.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -54.31 133.88 58.13 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.91 2.407 . . . . 0.0 111.319 -179.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.53 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -175.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -70.44 -33.63 71.53 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.01 0.823 . . . . 0.0 109.558 176.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.88 168.18 27.8 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.639 -173.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -133.44 139.34 46.67 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.48 -1.691 . . . . 0.0 106.972 -178.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -106.74 124.16 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.5 156.5 42.54 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.8 142.84 56.07 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.379 177.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 89.0 t -94.29 98.31 2.86 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 171.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_endo -60.99 -31.99 91.92 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.765 2.179 . . . . 0.0 117.765 -167.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -91.1 8.59 34.82 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.207 -164.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.09 119.68 72.74 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_exo -56.96 -19.83 34.0 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.42 -173.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 78.7 p -65.56 -34.67 78.79 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.411 0.55 . . . . 0.0 110.035 178.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.49 13.04 64.85 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.528 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 2.8 mpp_? -120.99 17.1 11.72 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 86.6 t -97.08 133.45 38.58 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . 0.886 ' HB2' ' CE1' ' C' ' 107' ' ' PHE . 10.1 m-85 -125.0 151.77 45.1 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.468 1.73 . . . . 0.0 110.44 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 2.4 p -127.03 135.39 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 57.8 tp -95.48 108.06 20.27 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 6.3 mtmt -109.21 125.23 52.02 Favored 'General case' 0 CA--C 1.486 -1.509 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -171.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -84.89 115.68 22.9 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.136 0.898 . . . . 0.0 109.153 176.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . 0.471 ' HA ' ' HB2' ' B' ' 49' ' ' GLN . 13.0 mtmt -63.38 -25.18 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.412 -169.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.432 ' HB3' ' NE2' ' A' ' 68' ' ' HIS . . . -111.26 115.21 28.96 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 173.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . 0.518 ' HA2' ' HB2' ' B' ' 72' ' ' ARG . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.34 8.94 33.65 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.034 -0.686 . . . . 0.0 110.55 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -70.63 129.19 38.51 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.622 -165.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.01 141.78 46.28 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.946 175.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.3 mt -124.56 126.24 45.49 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -100.86 143.67 30.74 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.329 -177.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . 0.992 ' CD1' ' C ' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -137.09 156.72 48.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.628 -1.169 . . . . 0.0 109.307 178.685 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 26.7 p-90 -131.5 126.57 35.29 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.408 175.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.63 137.75 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.238 -174.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -118.84 3.97 11.54 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.268 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -61.28 135.92 93.85 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.129 1.442 . . . . 0.0 108.623 172.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.29 -41.34 42.69 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.444 -174.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt -96.12 146.93 24.25 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.513 173.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 14.9 t -83.41 -9.26 59.13 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.216 178.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -103.23 5.8 37.82 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -174.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -56.84 -48.83 77.15 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.307 -177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -69.77 -32.28 70.69 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.582 -173.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -67.25 -44.09 80.3 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.901 0.381 . . . . 0.0 110.909 175.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -55.6 -45.91 77.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.025 -1.047 . . . . 0.0 112.264 173.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . 0.487 ' SG ' ' N ' ' C' ' 122' ' ' ARG . 0.5 OUTLIER -60.53 -43.12 97.48 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.695 0.76 . . . . 0.0 110.348 178.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . 0.487 ' N ' ' SG ' ' C' ' 121' ' ' CYS . 0.0 OUTLIER -61.89 -43.45 98.82 Favored 'General case' 0 C--O 1.241 0.614 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.117 -179.43 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -42.37 96.58 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 69.3 t -52.27 -51.87 28.86 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.478 175.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -60.37 -39.53 87.55 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.33 -45.93 82.31 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.453 -178.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . 0.648 ' CE1' HD22 ' C' ' 23' ' ' LEU . 63.0 m-85 -79.06 -24.51 43.51 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.445 -0.902 . . . . 0.0 112.381 -174.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.971 HD12 HG21 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -78.96 -36.15 42.0 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.796 -0.761 . . . . 0.0 112.278 174.471 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . 0.649 ' CB ' HD23 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.73 -11.12 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -168.547 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -141.17 71.87 27.4 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 169.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -82.32 168.47 14.85 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.591 1.527 . . . . 0.0 111.66 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo . . . . . 0 C--N 1.288 -2.624 0 C-N-CA 122.437 2.092 . . . . 0.0 111.568 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 mmt . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.911 -1.514 . . . . 0.0 106.911 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -91.18 138.21 31.77 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 126.812 2.57 . . . . 0.0 108.795 178.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -131.23 162.97 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.42 0 N-CA-C 105.537 -2.023 . . . . 0.0 105.537 173.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 1.032 ' O ' HD13 ' A' ' 67' ' ' LEU . 0.9 OUTLIER -115.93 140.22 49.47 Favored 'General case' 0 N--CA 1.513 2.698 1 O-C-N 130.643 4.964 . . . . 0.0 108.779 179.606 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.749 ' HA ' ' CD1' ' A' ' 67' ' ' LEU . 0.1 OUTLIER -118.15 114.25 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.802 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.562 175.829 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.23 127.52 41.35 Favored 'General case' 0 N--CA 1.505 2.323 1 O-C-N 129.36 4.162 . . . . 0.0 107.928 -178.092 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 8.5 p -99.54 170.77 8.37 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.931 -1.033 . . . . 0.0 109.35 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 19.8 mt -73.33 -7.02 49.84 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.049 0.843 . . . . 0.0 112.722 -177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.52 15.02 30.2 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.652 -2.419 . . . . 0.0 112.003 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.68 80.21 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.305 -1.497 . . . . 0.0 116.161 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.48 138.1 34.57 Favored 'General case' 0 C--N 1.311 -1.107 0 N-CA-C 105.328 -2.101 . . . . 0.0 105.328 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.89 131.66 55.31 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 126.727 2.517 . . . . 0.0 105.943 176.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.6 HG23 HG13 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -109.54 141.92 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 127.615 3.072 . . . . 0.0 108.865 179.783 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 53.8 m -101.4 139.7 36.71 Favored 'General case' 0 N--CA 1.494 1.749 0 C-N-CA 117.214 -1.794 . . . . 0.0 108.2 178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.43 153.99 44.26 Favored 'General case' 0 N--CA 1.445 -0.706 0 CA-C-O 115.418 -2.229 . . . . 0.0 108.332 -179.144 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -111.82 120.97 43.79 Favored 'General case' 0 N--CA 1.499 2.012 1 O-C-N 129.179 4.05 . . . . 0.0 103.685 173.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.433 HG13 ' N ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -138.9 170.62 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.312 0 O-C-N 127.513 3.008 . . . . 0.0 111.201 -177.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' HG13 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -120.0 144.49 37.67 Favored Pre-proline 0 C--N 1.315 -0.926 0 CA-C-N 112.356 -2.202 . . . . 0.0 106.349 174.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -55.02 -24.36 39.54 Favored 'Trans proline' 0 C--N 1.322 -0.838 0 C-N-CA 122.497 2.131 . . . . 0.0 111.935 177.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -8.33 59.24 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.872 -177.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.542 ' OD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -71.0 148.37 47.7 Favored 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 117.474 -1.69 . . . . 0.0 109.808 -179.016 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.3 p -83.69 160.53 21.29 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 108.258 -1.016 . . . . 0.0 108.258 175.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.425 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 21.2 mm -61.43 -37.13 77.02 Favored 'Isoleucine or valine' 0 C--O 1.245 0.844 0 O-C-N 127.209 2.818 . . . . 0.0 110.263 175.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -57.61 -40.16 78.5 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.336 -0.852 . . . . 0.0 110.788 177.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.29 -41.9 80.29 Favored 'General case' 0 C--O 1.262 1.729 0 O-C-N 121.919 -0.488 . . . . 0.0 110.947 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.542 HG23 ' OD2' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -58.14 -46.45 88.39 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.782 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 178.096 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.856 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 22.5 mttm -60.88 -37.83 83.53 Favored 'General case' 0 C--O 1.26 1.611 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.689 -179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.527 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.19 -38.13 87.27 Favored 'General case' 0 C--O 1.277 2.542 0 CA-C-N 118.207 0.458 . . . . 0.0 111.091 176.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.12 -37.55 87.84 Favored 'General case' 0 C--O 1.254 1.31 0 O-C-N 120.486 -1.383 . . . . 0.0 110.599 176.16 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 3.8 mt -69.96 -39.5 77.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.139 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.913 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 2.2 mm-40 -62.17 -48.81 78.43 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 125.574 2.606 . . . . 0.0 109.053 179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.24 -41.69 65.69 Favored 'General case' 0 C--O 1.253 1.238 0 CA-C-N 113.463 -1.699 . . . . 0.0 111.915 179.134 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 14.3 tptp -93.65 -24.2 17.97 Favored 'General case' 0 C--O 1.281 2.75 0 N-CA-C 117.148 2.277 . . . . 0.0 117.148 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.513 ' OE2' HG21 ' A' ' 13' ' ' ILE . 0.3 OUTLIER -123.47 -6.45 8.15 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-N 123.148 2.704 . . . . 0.0 114.19 179.666 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.77 89.93 Favored Glycine 0 CA--C 1.477 -2.283 0 N-CA-C 118.94 2.336 . . . . 0.0 118.94 176.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.913 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 19.5 mm -79.86 124.8 83.11 Favored Pre-proline 0 C--O 1.243 0.759 0 C-N-CA 118.866 -1.134 . . . . 0.0 110.899 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.579 ' C ' ' OE1' ' A' ' 31' ' ' GLN . 79.9 Cg_exo -56.95 136.77 78.59 Favored 'Trans proline' 0 C--O 1.259 1.552 0 C-N-CA 123.351 2.7 . . . . 0.0 110.862 178.218 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.844 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 32.5 Cg_exo -57.15 -31.83 91.62 Favored 'Trans proline' 0 C--O 1.262 1.712 0 O-C-N 122.951 0.974 . . . . 0.0 113.749 -179.425 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -68.59 -15.36 63.51 Favored 'General case' 0 C--O 1.261 1.664 0 O-C-N 119.863 -1.773 . . . . 0.0 112.213 -177.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -95.97 -10.22 29.18 Favored 'General case' 0 N--CA 1.484 1.24 0 O-C-N 120.714 -1.242 . . . . 0.0 112.043 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.84 129.61 34.79 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-O 124.36 2.028 . . . . 0.0 115.706 -177.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -121.08 116.1 24.37 Favored 'General case' 0 C--O 1.298 3.615 0 N-CA-C 104.936 -2.246 . . . . 0.0 104.936 171.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.481 ' CD1' HD23 ' A' ' 67' ' ' LEU . 2.8 mm? -103.52 130.18 50.85 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-N 119.501 1.046 . . . . 0.0 109.867 -177.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.1 mp -121.93 131.89 72.12 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.855 0 O-C-N 125.139 1.525 . . . . 0.0 111.94 -177.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.676 ' CZ ' ' O ' ' A' ' 66' ' ' THR . 0.1 OUTLIER -144.4 129.52 18.61 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 105.383 -2.08 . . . . 0.0 105.383 177.572 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.778 ' HB2' ' CD1' ' B' ' 73' ' ' LEU . . . 48.18 46.05 19.79 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-N 112.261 -2.245 . . . . 0.0 110.707 177.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' O ' ' O ' ' C' ' 74' ' ' ILE . . . 61.74 21.66 61.05 Favored Glycine 0 N--CA 1.432 -1.612 0 C-N-CA 128.723 3.059 . . . . 0.0 117.462 -179.589 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' HG2' HD11 ' C' ' 74' ' ' ILE . 0.0 OUTLIER -115.02 142.74 46.22 Favored 'General case' 0 C--N 1.307 -1.26 0 N-CA-C 107.135 -1.431 . . . . 0.0 107.135 177.681 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.7 tm0? -85.79 130.29 34.6 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 103.778 -2.675 . . . . 0.0 103.778 174.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.1 mp -79.39 138.11 37.53 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-O 117.665 -1.159 . . . . 0.0 110.174 -175.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.8 140.07 36.58 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 125.03 1.456 . . . . 0.0 110.014 -177.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 19.0 m-20 -47.99 -42.45 27.86 Favored 'General case' 0 C--O 1.264 1.85 0 N-CA-C 120.764 3.616 . . . . 0.0 120.764 -175.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.66 -8.99 85.29 Favored Glycine 0 CA--C 1.49 -1.494 0 N-CA-C 116.192 1.237 . . . . 0.0 116.192 -177.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -85.44 165.23 17.35 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 119.801 -1.999 . . . . 0.0 108.027 176.521 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 20.4 p -104.32 164.87 11.43 Favored 'General case' 0 N--CA 1.483 1.208 0 N-CA-C 106.688 -1.597 . . . . 0.0 106.688 176.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -61.54 -36.02 79.41 Favored 'General case' 0 C--O 1.202 -1.429 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -29.4 70.5 Favored 'General case' 0 C--O 1.268 2.05 0 C-N-CA 117.328 -1.749 . . . . 0.0 112.176 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -55.51 -39.55 70.63 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-O 122.501 1.143 . . . . 0.0 110.715 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 56.8 m-85 -90.82 4.68 51.05 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.999 179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 58.08 45.21 18.11 Favored 'General case' 0 N--CA 1.48 1.032 0 CA-C-N 121.617 2.008 . . . . 0.0 111.187 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 30.1 mm -88.72 116.59 30.65 Favored 'Isoleucine or valine' 0 C--O 1.267 1.975 0 CA-C-O 115.143 -2.361 . . . . 0.0 106.187 175.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.477 ' O ' ' HB2' ' A' ' 65' ' ' SER . 0.0 OUTLIER -103.56 169.59 8.44 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 126.006 2.066 . . . . 0.0 109.376 -176.647 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.93 27.66 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 123.259 1.504 . . . . 0.0 109.101 -176.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 66.93 19.26 10.63 Favored 'General case' 0 C--O 1.255 1.356 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 45' ' ' PHE . 0.2 OUTLIER -71.15 159.5 34.56 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 174.718 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.676 ' O ' ' CZ ' ' A' ' 45' ' ' PHE . 6.4 t -119.15 126.75 52.33 Favored 'General case' 0 C--N 1.308 -1.205 0 CA-C-O 118.168 -0.92 . . . . 0.0 108.865 175.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.032 HD13 ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -103.08 154.51 19.19 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 114.762 -2.542 . . . . 0.0 105.711 175.141 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.611 ' N ' ' CD2' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -105.58 135.59 46.71 Favored 'General case' 0 C--N 1.287 -2.116 0 O-C-N 127.391 2.932 . . . . 0.0 105.892 177.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.5 tp -106.82 115.84 30.89 Favored 'General case' 0 C--O 1.285 2.922 0 CA-C-O 117.59 -1.195 . . . . 0.0 111.446 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 42.2 t -108.07 139.9 28.53 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 N-CA-C 103.577 -2.749 . . . . 0.0 103.577 175.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -96.07 138.78 33.19 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-O 121.242 0.544 . . . . 0.0 109.806 178.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -55.17 -28.35 52.25 Favored 'General case' 0 C--N 1.279 -2.492 0 CA-C-O 113.153 -3.308 . . . . 0.0 105.629 178.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mt 62.3 172.45 0.13 Allowed 'General case' 0 C--N 1.29 -2.006 0 O-C-N 125.932 2.02 . . . . 0.0 109.582 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 56.83 69.3 0.76 Allowed 'General case' 0 C--O 1.245 0.835 0 CA-C-N 113.638 -1.619 . . . . 0.0 108.91 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 143.69 -175.64 23.52 Favored Glycine 0 C--O 1.247 0.909 0 CA-C-N 114.516 -1.22 . . . . 0.0 115.225 -179.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.554 0 N-CA-C 108.273 -1.931 . . . . 0.0 108.273 179.403 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mmm . . . . . 0 CA--C 1.549 0.911 0 N-CA-C 107.209 -1.404 . . . . 0.0 107.209 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.9 138.51 31.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 127.143 2.777 . . . . 0.0 108.741 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.438 HD12 HD21 ' B' ' 67' ' ' LEU . 0.2 OUTLIER -131.14 163.01 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.263 0 CA-C-O 115.813 -2.042 . . . . 0.0 105.885 173.187 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.91 140.19 49.48 Favored 'General case' 0 N--CA 1.514 2.747 1 O-C-N 130.619 4.949 . . . . 0.0 108.627 179.713 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.642 HG12 HD21 ' B' ' 69' ' ' LEU . 0.0 OUTLIER -117.93 114.11 44.29 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.707 0 CA-C-O 113.376 -3.202 . . . . 0.0 105.793 175.504 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.14 127.62 41.34 Favored 'General case' 0 N--CA 1.502 2.138 1 O-C-N 129.203 4.064 . . . . 0.0 108.19 -178.12 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.55 170.83 8.32 Favored 'General case' 0 C--N 1.351 0.647 0 CA-C-O 117.769 -1.11 . . . . 0.0 109.259 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.651 HD11 HG13 ' B' ' 70' ' ' VAL . 5.6 mt -73.42 -6.93 49.42 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 124.096 0.872 . . . . 0.0 112.838 -178.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 3.3 m -101.23 14.78 30.88 Favored 'General case' 0 N--CA 1.507 2.396 0 C-N-CA 115.663 -2.415 . . . . 0.0 111.997 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.75 80.05 Favored Glycine 0 C--N 1.296 -1.662 0 O-C-N 120.136 -1.603 . . . . 0.0 116.01 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.28 137.95 34.61 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 174.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.87 131.98 55.42 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 126.31 2.256 . . . . 0.0 106.203 176.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.55 141.82 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.825 3.203 . . . . 0.0 109.096 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 1.1 m -101.18 139.91 36.2 Favored 'General case' 0 N--CA 1.496 1.875 0 C-N-CA 117.054 -1.858 . . . . 0.0 108.356 177.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 69.8 mt -126.59 154.11 44.36 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-O 115.538 -2.172 . . . . 0.0 108.348 -179.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.86 121.22 44.47 Favored 'General case' 0 N--CA 1.496 1.874 1 O-C-N 129.271 4.107 . . . . 0.0 103.496 174.073 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.11 170.56 15.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.351 0 O-C-N 127.774 3.171 . . . . 0.0 111.271 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 pm0 -120.03 144.68 38.14 Favored Pre-proline 0 C--N 1.312 -1.052 0 CA-C-N 112.121 -2.309 . . . . 0.0 106.288 174.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -55.0 -24.66 40.78 Favored 'Trans proline' 0 C--N 1.317 -1.122 0 C-N-CA 122.719 2.279 . . . . 0.0 111.498 177.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.6 t -79.89 -8.34 59.25 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-O 118.068 -0.968 . . . . 0.0 110.849 -177.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.92 148.52 47.64 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.727 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.1 p -83.86 160.49 21.14 Favored 'General case' 0 CA--C 1.544 0.737 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 175.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.979 HG21 HD13 ' B' ' 50' ' ' LEU . 1.8 mp -61.44 -36.74 75.06 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 126.959 2.662 . . . . 0.0 110.336 175.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.776 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.2 -42.83 77.82 Favored 'General case' 0 C--O 1.252 1.22 0 O-C-N 120.408 -1.432 . . . . 0.0 111.009 176.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -64.47 -44.47 90.95 Favored 'General case' 0 C--O 1.249 1.072 0 C-N-CA 124.263 1.025 . . . . 0.0 111.44 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.66 -46.31 90.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 114.207 -1.36 . . . . 0.0 108.992 178.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.776 ' O ' HG22 ' B' ' 30' ' ' ILE . 10.5 mtmm -60.7 -38.07 83.79 Favored 'General case' 0 C--O 1.255 1.389 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.812 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -37.94 86.76 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 123.359 0.412 . . . . 0.0 111.38 176.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -64.1 -37.47 87.56 Favored 'General case' 0 C--O 1.254 1.338 0 O-C-N 120.429 -1.419 . . . . 0.0 110.791 175.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.776 HG22 ' O ' ' B' ' 27' ' ' LYS . 5.4 tp -69.66 -39.77 78.56 Favored 'Isoleucine or valine' 0 C--O 1.255 1.376 0 N-CA-C 106.837 -1.542 . . . . 0.0 106.837 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -61.97 -48.82 78.65 Favored 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 125.572 2.606 . . . . 0.0 109.054 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -53.4 -41.8 66.34 Favored 'General case' 0 C--O 1.257 1.469 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.852 179.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.4 OUTLIER -93.32 -24.36 18.15 Favored 'General case' 0 C--O 1.28 2.659 0 N-CA-C 117.297 2.332 . . . . 0.0 117.297 -175.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.72 -6.25 8.02 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-N 122.864 2.574 . . . . 0.0 113.688 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.63 90.01 Favored Glycine 0 CA--C 1.477 -2.318 0 N-CA-C 118.66 2.224 . . . . 0.0 118.66 176.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.513 HD11 ' CG1' ' B' ' 30' ' ' ILE . 4.2 pt -79.91 124.99 82.93 Favored Pre-proline 0 C--O 1.242 0.682 0 C-N-CA 118.719 -1.192 . . . . 0.0 111.033 179.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.461 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 82.9 Cg_exo -57.17 137.05 80.04 Favored 'Trans proline' 0 C--O 1.256 1.404 0 C-N-CA 122.913 2.409 . . . . 0.0 110.833 178.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.5 Cg_exo -57.17 -32.19 92.72 Favored 'Trans proline' 0 C--O 1.261 1.666 0 O-C-N 123.023 1.012 . . . . 0.0 113.444 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.35 -15.54 63.6 Favored 'General case' 0 C--O 1.265 1.912 0 O-C-N 120.056 -1.652 . . . . 0.0 112.189 -177.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.788 ' HB2' HD13 ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.48 -10.73 28.98 Favored 'General case' 0 N--CA 1.481 1.099 0 O-C-N 120.504 -1.372 . . . . 0.0 112.177 178.432 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.403 ' NE2' HD12 ' B' ' 36' ' ' ILE . 36.5 mm-40 -84.76 129.6 34.8 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 124.274 1.988 . . . . 0.0 115.797 -177.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 11.3 tpp180 -121.1 116.08 24.32 Favored 'General case' 0 C--O 1.299 3.664 0 N-CA-C 104.83 -2.285 . . . . 0.0 104.83 172.19 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.692 ' HG ' HD22 ' B' ' 69' ' ' LEU . 0.2 OUTLIER -103.52 130.26 50.88 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-N 119.501 1.046 . . . . 0.0 110.02 -177.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.861 HD11 ' O ' ' C' ' 99' ' ' LYS . 12.5 mm -122.01 131.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 125.136 1.522 . . . . 0.0 111.966 -177.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.667 ' CZ ' ' HB3' ' B' ' 50' ' ' LEU . 0.0 OUTLIER -144.23 129.78 19.05 Favored 'General case' 0 C--N 1.359 1.011 0 N-CA-C 105.331 -2.1 . . . . 0.0 105.331 177.449 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 46.01 19.66 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 112.011 -2.358 . . . . 0.0 110.661 177.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.76 20.29 59.44 Favored Glycine 0 C--N 1.298 -1.581 0 C-N-CA 128.349 2.88 . . . . 0.0 117.349 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -109.94 143.93 39.18 Favored 'General case' 0 C--N 1.305 -1.342 0 CA-C-O 115.307 -2.282 . . . . 0.0 110.964 174.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.494 ' HA ' HD13 ' B' ' 44' ' ' ILE . 3.8 pp0? -87.29 130.33 34.64 Favored 'General case' 0 C--N 1.279 -2.473 0 N-CA-C 103.95 -2.611 . . . . 0.0 103.95 173.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 1.185 ' O ' HD12 ' B' ' 50' ' ' LEU . 0.1 OUTLIER -79.61 138.44 37.43 Favored 'General case' 0 C--N 1.311 -1.089 0 CA-C-O 117.634 -1.174 . . . . 0.0 110.043 -175.757 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.98 140.01 36.85 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 125.201 1.563 . . . . 0.0 109.893 -177.627 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.776 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.6 OUTLIER -48.22 -42.1 29.2 Favored 'General case' 0 C--O 1.261 1.7 0 N-CA-C 120.741 3.608 . . . . 0.0 120.741 -175.774 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.28 -8.37 85.37 Favored Glycine 0 CA--C 1.492 -1.374 0 N-CA-C 115.967 1.147 . . . . 0.0 115.967 -177.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -85.62 165.3 17.14 Favored 'General case' 0 C--O 1.25 1.13 0 O-C-N 120.124 -1.809 . . . . 0.0 108.02 176.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.448 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 2.3 p -104.35 164.59 11.63 Favored 'General case' 0 C--N 1.313 -1.02 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 176.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 54.1 mt -61.06 -36.39 79.48 Favored 'General case' 0 C--O 1.201 -1.49 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.63 -29.79 70.98 Favored 'General case' 0 C--O 1.266 1.922 0 C-N-CA 117.294 -1.762 . . . . 0.0 112.184 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -55.68 -39.01 70.39 Favored 'General case' 0 N--CA 1.486 1.335 0 CA-C-O 122.454 1.121 . . . . 0.0 110.729 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.507 ' CG ' ' CZ ' ' B' ' 45' ' ' PHE . 79.4 m-85 -91.2 4.54 51.99 Favored 'General case' 0 C--N 1.301 -1.502 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.865 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.92 45.35 18.39 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-N 121.713 2.051 . . . . 0.0 111.276 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.457 HD13 ' HB2' ' B' ' 59' ' ' TYR . 1.0 OUTLIER -88.74 116.22 30.02 Favored 'Isoleucine or valine' 0 C--O 1.269 2.087 0 CA-C-O 115.098 -2.382 . . . . 0.0 106.239 175.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -103.32 169.53 8.49 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 126.08 2.113 . . . . 0.0 109.74 -176.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.81 142.97 27.11 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-O 123.228 1.49 . . . . 0.0 109.264 -176.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 66.95 19.15 10.63 Favored 'General case' 0 C--O 1.256 1.403 0 N-CA-C 117.819 2.525 . . . . 0.0 117.819 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 13.4 t -71.07 159.56 34.5 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 174.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.06 126.63 52.13 Favored 'General case' 0 C--N 1.307 -1.266 0 CA-C-O 118.153 -0.927 . . . . 0.0 108.801 175.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.476 ' N ' HD13 ' B' ' 67' ' ' LEU . 0.2 OUTLIER -103.18 154.57 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.667 -2.587 . . . . 0.0 105.699 175.071 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.571 ' C ' HD23 ' B' ' 69' ' ' LEU . 2.1 m-70 -105.58 135.73 46.46 Favored 'General case' 0 C--N 1.284 -2.28 0 O-C-N 127.581 3.051 . . . . 0.0 105.773 177.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.692 HD22 ' HG ' ' B' ' 43' ' ' LEU . 6.6 mt -107.05 115.87 30.94 Favored 'General case' 0 C--O 1.283 2.847 0 CA-C-O 117.596 -1.193 . . . . 0.0 111.419 176.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.651 HG13 HD11 ' B' ' 8' ' ' LEU . 39.8 t -108.13 139.92 28.54 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 103.472 -2.788 . . . . 0.0 103.472 175.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.834 HD12 ' C ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER -96.11 -83.43 0.37 Allowed 'General case' 0 N--CA 1.477 0.915 0 CA-C-O 121.057 0.456 . . . . 0.0 109.851 178.373 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.664 ' N ' ' HG ' ' B' ' 71' ' ' LEU . 4.3 ttp180 -135.31 -165.4 1.68 Allowed 'General case' 0 C--N 1.277 -2.586 0 CA-C-O 113.46 -3.162 . . . . 0.0 105.444 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.778 ' CD1' ' HB2' ' A' ' 46' ' ' ALA . 0.9 OUTLIER -176.28 -34.23 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.792 0 O-C-N 125.646 1.841 . . . . 0.0 109.687 -179.457 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? 64.25 117.74 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 CA-C-N 113.843 -1.526 . . . . 0.0 108.764 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -120.52 -70.26 0.3 Allowed Glycine 0 C--O 1.244 0.758 0 CA-C-N 114.856 -1.065 . . . . 0.0 115.096 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.422 0 CA-C-O 116.44 -2.311 . . . . 0.0 108.29 179.153 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.511 -0.557 0 CA-C-O 121.964 0.888 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -72.83 -71.78 0.28 Allowed 'General case' 0 C--N 1.29 -2.008 0 O-C-N 119.053 -2.279 . . . . 0.0 111.009 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 177.65 148.4 0.15 Allowed 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 126.886 2.074 . . . . 0.0 110.716 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.01 137.88 31.91 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.59 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.9 mt -70.26 -39.57 74.88 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.653 0.739 . . . . 0.0 111.828 172.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 29.7 t -144.36 136.19 21.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.184 1.394 . . . . 0.0 107.449 -178.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -144.47 148.03 34.04 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 119.615 -0.834 . . . . 0.0 110.528 165.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -160.98 155.21 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.32 1.013 . . . . 0.0 111.148 173.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 23.8 mtp180 -72.24 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.18 -1.373 . . . . 0.0 112.331 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.18 147.65 6.73 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.098 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.87 25.22 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 108.278 -1.929 . . . . 0.0 108.278 175.062 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.17 -179.24 3.79 Favored 'General case' 0 CA--C 1.515 -0.398 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 178.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . 0.607 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.14 161.05 37.2 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . 0.607 ' N ' ' HG2' ' C' ' 31' ' ' MET . 3.4 m -136.66 156.48 48.49 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.131 -1.428 . . . . 0.0 108.794 177.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.71 116.16 28.76 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.933 -1.877 . . . . 0.0 105.933 177.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -112.35 115.87 29.43 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 172.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.11 8.69 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.289 -1.925 . . . . 0.0 108.289 -169.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.93 14.55 18.51 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.37 -0.415 . . . . 0.0 109.99 178.061 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 4.4 p -112.03 122.47 47.86 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -172.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.504 HG23 ' O ' ' C' ' 38' ' ' VAL . 35.4 m -76.09 120.04 25.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -124.18 119.37 26.43 Favored Pre-proline 0 C--O 1.244 0.795 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.161 -173.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.79 59.0 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.924 -0.917 . . . . 0.0 111.853 173.442 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.64 132.15 34.21 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 172.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.94 -11.2 59.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.14 144.43 56.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 -173.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.06 125.54 26.68 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 171.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.22 21.59 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.12 1.4 . . . . 0.0 115.404 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.7 mt -128.32 124.4 36.38 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.39 -1.707 . . . . 0.0 106.39 175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.4 t -90.96 137.62 21.34 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 164.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -152.01 157.77 42.16 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-O 122.043 0.925 . . . . 0.0 113.017 175.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.453 HG13 HD21 ' C' ' 128' ' ' LEU . 3.1 mm -118.77 131.09 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.325 174.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -134.04 137.61 44.81 Favored 'General case' 0 CA--C 1.492 -1.251 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 -178.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.2 tt0 -100.16 122.08 42.43 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 2.1 p -84.09 171.07 13.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.287 177.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.56 -10.36 59.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.651 -0.819 . . . . 0.0 113.187 -170.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -82.71 7.36 15.13 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.316 -0.154 . . . . 0.0 110.948 170.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 29.4 t 73.86 -1.31 3.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.399 1.48 . . . . 0.0 114.695 -177.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.91 149.94 39.29 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 119.24 -0.984 . . . . 0.0 113.11 179.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -102.21 129.1 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 8.4 m-70 -117.65 125.36 50.59 Favored 'General case' 0 CA--C 1.513 -0.449 0 N-CA-C 107.929 -1.137 . . . . 0.0 107.929 -176.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . 0.428 ' HA ' HD13 ' C' ' 49' ' ' ILE . 22.4 t80 -98.88 119.02 36.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 171.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 93.1 m -127.7 156.78 41.83 Favored 'General case' 0 C--O 1.238 0.467 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 83.9 t90 -130.43 128.35 41.14 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.523 -1.671 . . . . 0.0 108.728 169.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 47.9 tttt -120.69 134.33 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 113.993 -1.458 . . . . 0.0 109.801 -176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 23.2 t0 -74.26 115.32 13.63 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 107.702 -1.222 . . . . 0.0 107.702 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.0 -32.38 73.9 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -176.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.54 -46.17 55.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 32.5 t -91.36 -20.58 21.68 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.582 -176.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.67 2.65 61.11 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-O 119.711 -0.494 . . . . 0.0 113.722 -171.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.645 1.223 . . . . 0.0 113.195 178.591 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 34.5 t -84.17 109.1 17.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.666 -0.864 . . . . 0.0 108.666 173.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -94.55 -28.83 15.21 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.898 -171.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -121.97 135.57 54.86 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.808 0.813 . . . . 0.0 109.389 177.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -155.01 103.32 2.39 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.543 -2.391 . . . . 0.0 104.543 -178.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -118.08 123.24 45.14 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.38 -1.282 . . . . 0.0 109.242 -174.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . 0.46 ' O ' ' O ' ' A' ' 47' ' ' GLY . 5.0 pt -75.84 124.35 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.374 1.083 . . . . 0.0 111.714 168.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.64 HD13 ' HB3' ' C' ' 128' ' ' LEU . 2.0 pp -122.99 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.415 0 CA-C-N 114.608 -1.178 . . . . 0.0 109.645 -174.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.33 158.97 30.78 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.334 1.021 . . . . 0.0 110.826 173.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.31 133.88 58.13 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.91 2.407 . . . . 0.0 111.319 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.48 6.86 5.92 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.65 2.093 . . . . 0.0 116.65 -175.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -70.37 -33.66 71.68 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 119.061 0.846 . . . . 0.0 109.576 176.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 6.4 p -154.9 168.16 27.87 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.481 -1.288 . . . . 0.0 113.639 -173.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -133.41 139.38 46.73 Favored 'General case' 0 N--CA 1.442 -0.836 0 CA-C-N 113.441 -1.709 . . . . 0.0 107.026 -178.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -106.74 124.16 49.21 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.55 156.41 42.41 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -67.69 142.83 56.21 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 114.986 -1.006 . . . . 0.0 108.416 177.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 35.8 t -94.31 98.33 2.89 Favored Pre-proline 0 C--N 1.319 -0.729 0 N-CA-C 106.244 -1.761 . . . . 0.0 106.244 171.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_endo -61.05 -31.87 91.37 Favored 'Trans proline' 0 N--CA 1.476 0.478 0 N-CA-C 117.786 2.187 . . . . 0.0 117.786 -167.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -91.08 8.6 34.7 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.929 -1.509 . . . . 0.0 112.273 -164.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 5.9 m -85.08 119.69 72.76 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 174.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.89 -19.92 33.94 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.408 -173.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 14.6 p -65.56 -34.63 78.7 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.421 0.555 . . . . 0.0 110.062 178.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.49 13.02 64.82 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.528 -172.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 72.0 mtm180 -120.97 17.03 11.74 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 52.7 t -96.91 133.46 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.198 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 173.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -125.0 151.81 45.05 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.517 1.761 . . . . 0.0 110.388 178.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.2 p -127.08 135.27 64.06 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 57.9 tp -95.36 108.1 20.26 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 169.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -109.1 125.17 51.86 Favored 'General case' 0 CA--C 1.483 -1.597 0 N-CA-C 108.326 -0.991 . . . . 0.0 108.326 -171.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -84.84 115.76 22.92 Favored 'General case' 0 C--O 1.241 0.618 0 O-C-N 124.058 0.849 . . . . 0.0 109.148 176.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . 0.861 ' O ' HD11 ' B' ' 44' ' ' ILE . 2.1 pttp -63.54 -25.1 68.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.028 -0.987 . . . . 0.0 111.344 -169.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.31 115.13 28.8 Favored 'General case' 0 CA--C 1.516 -0.333 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 173.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.9 172.35 27.71 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.714 -0.954 . . . . 0.0 110.714 -172.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.34 9.0 33.36 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.026 -0.69 . . . . 0.0 110.523 179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 8.6 mttp -70.63 129.22 38.6 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.889 -1.524 . . . . 0.0 110.622 -165.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.15 141.74 46.0 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.854 175.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.4 mp -124.45 126.17 45.48 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 105.877 -1.897 . . . . 0.0 105.877 171.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -100.86 143.68 30.72 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.329 -177.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -137.12 156.68 48.07 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.262 178.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -131.43 126.55 35.38 Favored 'General case' 0 N--CA 1.418 -2.035 0 C-N-CA 119.516 -0.874 . . . . 0.0 110.446 175.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 11.7 tmm? -62.64 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.278 -174.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -118.88 4.01 11.51 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.629 -1.168 . . . . 0.0 110.256 179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -61.26 135.83 93.79 Favored Pre-proline 0 C--O 1.264 1.838 0 CA-C-O 123.154 1.454 . . . . 0.0 108.717 172.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.19 -41.34 43.47 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.568 -1.154 . . . . 0.0 112.482 -174.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.15 146.95 24.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.65 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 13.9 p -83.48 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.125 178.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -33.78 56.28 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.403 0.681 . . . . 0.0 112.767 -169.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -103.28 5.88 37.73 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -174.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.96 -1.096 . . . . 0.0 110.307 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -69.87 -32.2 70.45 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.543 -173.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -67.33 -44.04 80.1 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 175.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -55.61 -45.86 77.44 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.025 -1.047 . . . . 0.0 112.27 173.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 13.9 t -60.59 -43.07 97.8 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-O 121.695 0.76 . . . . 0.0 110.323 179.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -43.35 99.03 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.352 -0.84 . . . . 0.0 109.101 -179.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 40.5 mttm -64.29 -42.29 96.48 Favored 'General case' 0 C--O 1.244 0.803 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 178.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . 0.463 ' O ' ' HG ' ' C' ' 128' ' ' LEU . 55.4 t -52.36 -51.86 29.61 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.16 -0.616 . . . . 0.0 110.383 175.535 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -60.4 -39.49 87.53 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -65.27 -45.96 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.502 -178.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -79.07 -24.44 43.52 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.38 -174.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.817 HD23 ' N ' ' C' ' 128' ' ' LEU . 0.3 OUTLIER -79.08 -36.06 41.4 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.751 -0.78 . . . . 0.0 112.273 174.515 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -110.8 -11.05 14.42 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -168.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 11.4 m-80 -141.17 71.8 27.44 Favored Pre-proline 0 N--CA 1.466 0.371 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 169.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -77.77 170.94 18.21 Favored 'Trans proline' 0 C--N 1.313 -1.295 0 C-N-CA 121.522 1.482 . . . . 0.0 111.642 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_exo . . . . . 0 C--N 1.29 -2.526 0 C-N-CA 122.372 2.048 . . . . 0.0 111.602 179.78 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.9 mtt . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 106.916 -1.513 . . . . 0.0 106.916 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.02 138.18 31.8 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 126.827 2.58 . . . . 0.0 108.943 178.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.544 HD12 ' N ' ' A' ' 4' ' ' PHE . 1.3 pp -131.25 162.97 38.32 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.37 0 CA-C-O 115.916 -1.992 . . . . 0.0 105.633 173.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.596 ' HB2' HG23 ' A' ' 66' ' ' THR . 4.5 m-85 -115.91 140.16 49.52 Favored 'General case' 0 N--CA 1.512 2.656 1 O-C-N 130.563 4.914 . . . . 0.0 108.785 179.679 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.456 HG23 HD11 ' A' ' 3' ' ' ILE . 94.9 t -118.03 114.16 44.41 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.632 175.741 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.0 tppt? -95.17 127.59 41.34 Favored 'General case' 0 N--CA 1.506 2.328 1 O-C-N 129.374 4.171 . . . . 0.0 107.839 -178.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.62 170.8 8.33 Favored 'General case' 0 C--N 1.353 0.735 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.375 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.38 -7.01 49.85 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 124.105 0.878 . . . . 0.0 112.638 -177.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 71.7 p -101.49 15.08 29.99 Favored 'General case' 0 N--CA 1.502 2.149 0 C-N-CA 115.695 -2.402 . . . . 0.0 111.983 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.27 16.73 80.24 Favored Glycine 0 C--N 1.297 -1.603 0 O-C-N 120.235 -1.54 . . . . 0.0 116.162 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.5 138.09 34.6 Favored 'General case' 0 C--N 1.31 -1.122 0 N-CA-C 105.28 -2.118 . . . . 0.0 105.28 175.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.2 m -119.96 131.64 55.25 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 126.652 2.47 . . . . 0.0 105.952 176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 30.9 mm -109.57 141.9 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 127.623 3.077 . . . . 0.0 108.891 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 68.2 p -101.33 139.63 36.74 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 117.231 -1.788 . . . . 0.0 108.193 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.443 HD11 HG21 ' A' ' 5' ' ' VAL . 23.2 mt -126.43 154.04 44.2 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-O 115.342 -2.266 . . . . 0.0 108.336 -179.188 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -111.89 121.08 44.07 Favored 'General case' 0 N--CA 1.499 2.024 1 O-C-N 129.275 4.11 . . . . 0.0 103.627 173.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 20.8 m -138.95 170.6 15.99 Favored 'Isoleucine or valine' 0 C--O 1.255 1.365 0 O-C-N 127.565 3.041 . . . . 0.0 111.286 -177.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -119.95 144.31 37.2 Favored Pre-proline 0 C--N 1.313 -1.012 0 CA-C-N 112.373 -2.194 . . . . 0.0 106.41 174.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.0 Cg_exo -54.9 -24.34 38.51 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.553 2.169 . . . . 0.0 111.949 177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.02 -8.08 59.17 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 118.026 -0.988 . . . . 0.0 110.967 -177.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.05 148.39 47.6 Favored 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 117.435 -1.706 . . . . 0.0 109.813 -179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.76 160.52 21.23 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 175.809 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 34.9 mm -61.49 -37.13 77.08 Favored 'Isoleucine or valine' 0 C--O 1.246 0.903 0 O-C-N 127.157 2.785 . . . . 0.0 110.241 175.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.44 -40.17 77.85 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.312 -0.868 . . . . 0.0 110.825 176.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.32 -41.91 80.12 Favored 'General case' 0 C--O 1.261 1.702 0 O-C-N 121.896 -0.502 . . . . 0.0 110.949 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 62.6 t -58.24 -46.44 88.77 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 124.428 1.08 . . . . 0.0 109.17 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.9 mtmt -60.77 -37.95 83.6 Favored 'General case' 0 C--O 1.259 1.557 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.764 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.03 86.94 Favored 'General case' 0 C--O 1.278 2.575 0 CA-C-N 118.043 0.383 . . . . 0.0 111.163 176.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.05 -37.61 88.06 Favored 'General case' 0 C--O 1.254 1.342 0 CA-C-O 123.072 1.415 . . . . 0.0 110.699 176.02 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.6 mt -70.02 -39.35 77.24 Favored 'Isoleucine or valine' 0 C--O 1.251 1.183 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.32 -48.76 78.4 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 125.488 2.566 . . . . 0.0 109.039 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -53.17 -41.78 65.55 Favored 'General case' 0 C--O 1.253 1.243 0 CA-C-N 113.515 -1.675 . . . . 0.0 111.954 178.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 34.9 tttt -93.61 -24.27 17.98 Favored 'General case' 0 C--O 1.281 2.73 0 N-CA-C 117.223 2.305 . . . . 0.0 117.223 -175.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -123.4 -6.42 8.19 Favored 'General case' 0 C--N 1.304 -1.396 0 CA-C-N 123.103 2.683 . . . . 0.0 114.243 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.7 89.97 Favored Glycine 0 CA--C 1.479 -2.208 0 N-CA-C 118.978 2.351 . . . . 0.0 118.978 176.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.417 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 53.3 mt -79.73 124.78 83.35 Favored Pre-proline 0 C--O 1.245 0.854 0 C-N-CA 118.842 -1.143 . . . . 0.0 110.947 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 80.3 Cg_exo -56.97 136.91 79.48 Favored 'Trans proline' 0 C--O 1.259 1.561 0 C-N-CA 123.344 2.696 . . . . 0.0 110.774 178.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -57.2 -31.96 92.12 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 122.911 0.953 . . . . 0.0 113.645 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.57 -15.26 63.47 Favored 'General case' 0 C--O 1.261 1.691 0 O-C-N 119.811 -1.806 . . . . 0.0 112.195 -177.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -96.03 -10.23 29.0 Favored 'General case' 0 N--CA 1.483 1.215 0 O-C-N 120.68 -1.262 . . . . 0.0 112.004 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -84.86 129.6 34.79 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 124.389 2.042 . . . . 0.0 115.749 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 116.13 24.44 Favored 'General case' 0 C--O 1.299 3.672 0 N-CA-C 104.916 -2.253 . . . . 0.0 104.916 171.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.82 ' HB2' HD11 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -103.6 130.18 50.99 Favored 'General case' 0 N--CA 1.488 1.457 0 CA-C-N 119.515 1.052 . . . . 0.0 109.922 -177.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.546 HD11 ' HB2' ' C' ' 76' ' ' PHE . 0.8 OUTLIER -122.02 131.88 72.17 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.913 0 O-C-N 125.154 1.534 . . . . 0.0 111.805 -177.471 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -144.47 129.49 18.52 Favored 'General case' 0 C--N 1.36 1.036 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 177.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.16 19.6 Favored 'General case' 0 C--N 1.31 -1.129 0 CA-C-N 112.198 -2.274 . . . . 0.0 110.765 177.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.63 21.71 60.86 Favored Glycine 0 N--CA 1.433 -1.536 0 C-N-CA 128.66 3.029 . . . . 0.0 117.465 -179.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.2 mttt -115.04 142.73 46.24 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 177.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.1 pp0? -85.87 130.31 34.59 Favored 'General case' 0 N--CA 1.488 1.469 0 N-CA-C 103.755 -2.683 . . . . 0.0 103.755 174.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.426 HD23 HD12 ' A' ' 23' ' ' ILE . 3.1 mp -79.55 138.12 37.39 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-O 117.708 -1.139 . . . . 0.0 110.146 -175.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 -101.67 140.07 36.46 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 125.071 1.482 . . . . 0.0 109.965 -177.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.458 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 0.9 OUTLIER -47.94 -42.55 27.71 Favored 'General case' 0 C--O 1.264 1.847 0 N-CA-C 120.732 3.604 . . . . 0.0 120.732 -175.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.69 -8.8 85.52 Favored Glycine 0 CA--C 1.49 -1.525 0 N-CA-C 116.203 1.241 . . . . 0.0 116.203 -177.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.48 165.27 17.29 Favored 'General case' 0 C--O 1.251 1.164 0 O-C-N 119.837 -1.978 . . . . 0.0 108.1 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.6 p -104.37 164.95 11.38 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 176.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.517 ' HG ' HD13 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -61.71 -35.92 79.42 Favored 'General case' 0 C--O 1.203 -1.366 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.292 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.24 -29.39 70.49 Favored 'General case' 0 C--O 1.267 1.977 0 C-N-CA 117.322 -1.751 . . . . 0.0 112.219 -179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.61 -39.43 70.78 Favored 'General case' 0 N--CA 1.485 1.319 0 CA-C-O 122.421 1.105 . . . . 0.0 110.753 179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.474 ' HB2' HD12 ' A' ' 61' ' ' ILE . 55.8 m-85 -90.85 4.69 51.09 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.721 -1.133 . . . . 0.0 113.028 179.099 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.09 45.16 18.16 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 121.607 2.003 . . . . 0.0 111.229 179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.517 HD13 ' HG ' ' A' ' 56' ' ' LEU . 4.1 mt -88.74 116.5 30.5 Favored 'Isoleucine or valine' 0 C--O 1.265 1.89 0 CA-C-O 115.162 -2.351 . . . . 0.0 106.183 175.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.493 ' HB2' HD22 ' B' ' 73' ' ' LEU . 7.9 mm100 -103.52 169.72 8.37 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 126.15 2.156 . . . . 0.0 109.363 -176.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.7 pttp -54.92 142.87 28.04 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 123.262 1.506 . . . . 0.0 109.108 -176.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.564 ' O ' HD22 ' B' ' 8' ' ' LEU . 81.5 mm-40 67.01 19.29 10.57 Favored 'General case' 0 C--O 1.254 1.308 0 N-CA-C 117.93 2.567 . . . . 0.0 117.93 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.495 ' HB2' HD12 ' B' ' 73' ' ' LEU . 0.0 OUTLIER -71.21 159.59 34.37 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 107.31 -1.367 . . . . 0.0 107.31 174.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.705 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -119.1 126.75 52.36 Favored 'General case' 0 C--N 1.308 -1.215 0 CA-C-O 118.093 -0.955 . . . . 0.0 108.855 175.777 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.82 HD11 ' HB2' ' A' ' 43' ' ' LEU . 4.4 tt -103.11 154.56 19.15 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-O 114.755 -2.545 . . . . 0.0 105.647 175.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -105.68 135.71 46.61 Favored 'General case' 0 C--N 1.287 -2.132 0 O-C-N 127.382 2.926 . . . . 0.0 105.812 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 55.1 tp -106.9 115.82 30.84 Favored 'General case' 0 C--O 1.285 2.967 0 CA-C-O 117.651 -1.166 . . . . 0.0 111.43 176.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -108.04 139.86 28.62 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 N-CA-C 103.59 -2.745 . . . . 0.0 103.59 175.027 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.5 mp -96.06 138.91 33.01 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-O 121.302 0.572 . . . . 0.0 109.793 178.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 9.4 mtt180 -104.01 92.01 4.21 Favored 'General case' 0 C--N 1.279 -2.485 0 CA-C-O 113.215 -3.279 . . . . 0.0 105.551 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.1 mp -86.01 68.18 10.23 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 125.86 1.975 . . . . 0.0 109.631 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.8 ttm180 52.37 35.33 17.02 Favored 'General case' 0 C--O 1.246 0.905 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.894 -179.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 129.39 113.77 1.68 Allowed Glycine 0 C--O 1.246 0.87 0 CA-C-N 114.53 -1.214 . . . . 0.0 115.161 -179.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.522 0 N-CA-C 108.298 -1.921 . . . . 0.0 108.298 179.448 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ptt? . . . . . 0 CA--C 1.548 0.866 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -90.88 138.39 31.63 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 127.101 2.751 . . . . 0.0 108.898 178.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 33.0 pt -131.14 163.13 37.83 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.283 0 CA-C-O 115.782 -2.056 . . . . 0.0 105.89 173.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.844 ' O ' HD22 ' B' ' 67' ' ' LEU . 7.9 m-85 -116.04 140.15 49.56 Favored 'General case' 0 N--CA 1.515 2.791 1 O-C-N 130.653 4.971 . . . . 0.0 108.585 179.806 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.436 ' O ' HG22 ' B' ' 5' ' ' VAL . 0.1 OUTLIER -117.92 114.09 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.668 0 CA-C-O 113.432 -3.175 . . . . 0.0 105.823 175.512 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 14.1 tttp -95.12 127.62 41.32 Favored 'General case' 0 N--CA 1.503 2.19 1 O-C-N 129.164 4.04 . . . . 0.0 108.107 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 26.9 p -99.6 170.84 8.3 Favored 'General case' 0 C--N 1.352 0.681 0 CA-C-O 117.846 -1.073 . . . . 0.0 109.299 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.705 HD23 ' OG1' ' A' ' 66' ' ' THR . 0.3 OUTLIER -73.31 -7.09 50.11 Favored 'General case' 0 N--CA 1.481 1.108 0 O-C-N 123.976 0.797 . . . . 0.0 112.833 -178.26 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 5.2 t -101.23 14.83 30.72 Favored 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 115.642 -2.423 . . . . 0.0 112.034 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.58 16.52 80.14 Favored Glycine 0 C--N 1.298 -1.569 0 O-C-N 120.121 -1.612 . . . . 0.0 116.005 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -96.22 137.9 34.62 Favored 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 105.496 -2.038 . . . . 0.0 105.496 174.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.423 HG21 ' HD2' ' B' ' 4' ' ' PHE . 6.8 m -119.9 131.86 55.37 Favored 'General case' 0 N--CA 1.472 0.634 0 O-C-N 126.413 2.321 . . . . 0.0 106.263 176.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mm -109.46 141.77 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 127.702 3.127 . . . . 0.0 109.156 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 7.5 p -101.11 139.92 36.12 Favored 'General case' 0 N--CA 1.497 1.881 0 C-N-CA 117.014 -1.874 . . . . 0.0 108.434 177.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.6 154.04 44.48 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-O 115.48 -2.2 . . . . 0.0 108.305 -179.258 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.8 121.14 44.26 Favored 'General case' 0 N--CA 1.495 1.812 1 O-C-N 129.341 4.15 . . . . 0.0 103.52 174.086 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -139.06 170.57 15.92 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 O-C-N 127.841 3.213 . . . . 0.0 111.29 -177.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -119.98 144.65 38.0 Favored Pre-proline 0 C--N 1.313 -0.987 0 CA-C-N 112.14 -2.3 . . . . 0.0 106.349 174.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -54.93 -24.69 40.39 Favored 'Trans proline' 0 C--N 1.316 -1.15 0 C-N-CA 122.72 2.28 . . . . 0.0 111.531 177.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 60.5 p -79.94 -8.15 59.17 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-O 118.095 -0.955 . . . . 0.0 110.943 -177.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.04 148.47 47.53 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.336 -1.745 . . . . 0.0 109.761 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.81 160.47 21.19 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 175.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.781 HG13 HD12 ' B' ' 50' ' ' LEU . 8.4 mm -61.38 -36.88 75.92 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 O-C-N 127.0 2.688 . . . . 0.0 110.367 175.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.07 -42.97 77.5 Favored 'General case' 0 C--O 1.253 1.241 0 O-C-N 120.399 -1.438 . . . . 0.0 111.018 176.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -64.37 -44.58 90.94 Favored 'General case' 0 C--O 1.25 1.124 0 C-N-CA 124.246 1.018 . . . . 0.0 111.471 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 t -58.56 -46.35 90.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 114.314 -1.312 . . . . 0.0 108.956 178.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 32.2 mtmt -60.66 -38.04 83.55 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.848 -179.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.96 86.55 Favored 'General case' 0 C--O 1.277 2.515 0 O-C-N 123.451 0.47 . . . . 0.0 111.345 176.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mmtm -64.03 -37.4 87.3 Favored 'General case' 0 C--O 1.253 1.273 0 O-C-N 120.51 -1.369 . . . . 0.0 110.888 175.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 72.5 mt -69.73 -39.76 78.39 Favored 'Isoleucine or valine' 0 C--O 1.254 1.3 0 N-CA-C 106.823 -1.547 . . . . 0.0 106.823 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -61.94 -48.8 78.77 Favored 'General case' 0 N--CA 1.499 1.99 0 CA-C-O 125.534 2.588 . . . . 0.0 109.045 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.38 -41.84 66.3 Favored 'General case' 0 C--O 1.257 1.499 0 CA-C-N 113.651 -1.613 . . . . 0.0 111.887 179.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.326 1.8 tppp? -93.29 -24.45 18.14 Favored 'General case' 0 C--O 1.279 2.647 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -175.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -123.58 -6.31 8.09 Favored 'General case' 0 C--N 1.306 -1.316 0 CA-C-N 122.886 2.585 . . . . 0.0 113.789 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.66 90.0 Favored Glycine 0 CA--C 1.477 -2.287 0 N-CA-C 118.762 2.265 . . . . 0.0 118.762 176.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 63.7 mt -79.96 124.97 82.84 Favored Pre-proline 0 C--O 1.243 0.727 0 C-N-CA 118.695 -1.202 . . . . 0.0 111.011 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.4 Cg_exo -57.08 136.9 79.36 Favored 'Trans proline' 0 C--O 1.256 1.407 0 C-N-CA 123.015 2.476 . . . . 0.0 110.924 178.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.1 Cg_exo -57.19 -32.14 92.64 Favored 'Trans proline' 0 C--O 1.261 1.661 0 O-C-N 123.028 1.015 . . . . 0.0 113.453 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -68.29 -15.63 63.64 Favored 'General case' 0 C--O 1.266 1.945 0 O-C-N 119.906 -1.746 . . . . 0.0 112.13 -177.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.808 ' HB3' HD11 ' B' ' 71' ' ' LEU . 11.7 mm100 -95.42 -10.69 29.21 Favored 'General case' 0 N--CA 1.481 1.106 0 O-C-N 120.447 -1.408 . . . . 0.0 112.286 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -84.79 129.68 34.78 Favored 'General case' 0 C--N 1.312 -1.03 0 CA-C-O 124.252 1.977 . . . . 0.0 115.728 -177.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -121.21 116.09 24.26 Favored 'General case' 0 C--O 1.299 3.697 0 N-CA-C 104.849 -2.278 . . . . 0.0 104.849 172.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -103.57 130.28 50.97 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-N 119.533 1.06 . . . . 0.0 110.003 -177.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.639 ' C ' ' CD1' ' B' ' 45' ' ' PHE . 2.3 mt -122.09 131.64 72.7 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.79 0 O-C-N 125.14 1.525 . . . . 0.0 112.003 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 1.003 ' O ' ' OH ' ' B' ' 59' ' ' TYR . 0.0 OUTLIER -144.24 129.82 19.07 Favored 'General case' 0 C--N 1.359 1.002 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 177.504 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.468 ' HB3' ' OH ' ' B' ' 59' ' ' TYR . . . 48.12 45.95 19.56 Favored 'General case' 0 N--CA 1.482 1.129 0 CA-C-N 111.967 -2.379 . . . . 0.0 110.649 177.392 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.9 20.25 59.71 Favored Glycine 0 C--N 1.3 -1.462 0 C-N-CA 128.207 2.813 . . . . 0.0 117.32 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.57 ' HB2' ' CE1' ' B' ' 59' ' ' TYR . 7.7 mtp180 -109.96 143.77 39.45 Favored 'General case' 0 C--N 1.305 -1.344 0 CA-C-O 115.344 -2.265 . . . . 0.0 110.96 174.137 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.14 130.32 34.57 Favored 'General case' 0 C--N 1.28 -2.435 0 N-CA-C 103.991 -2.596 . . . . 0.0 103.991 173.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.839 HD23 ' CD1' ' B' ' 45' ' ' PHE . 1.1 mm? -79.62 138.48 37.43 Favored 'General case' 0 C--N 1.311 -1.069 0 CA-C-O 117.674 -1.155 . . . . 0.0 110.068 -175.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -101.91 139.99 36.8 Favored 'General case' 0 N--CA 1.477 0.91 0 O-C-N 125.18 1.55 . . . . 0.0 109.957 -177.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -48.32 -41.97 29.82 Favored 'General case' 0 C--O 1.263 1.768 0 N-CA-C 120.738 3.607 . . . . 0.0 120.738 -175.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.24 -8.52 85.23 Favored Glycine 0 CA--C 1.492 -1.353 0 N-CA-C 116.025 1.17 . . . . 0.0 116.025 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 13.9 mtt-85 -85.65 165.35 17.08 Favored 'General case' 0 C--O 1.25 1.089 0 O-C-N 120.12 -1.812 . . . . 0.0 107.95 176.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.458 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 34.8 p -104.44 164.57 11.65 Favored 'General case' 0 C--N 1.313 -1.022 0 N-CA-C 106.694 -1.595 . . . . 0.0 106.694 177.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.21 -36.3 79.53 Favored 'General case' 0 C--O 1.201 -1.471 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.3 m -63.68 -29.76 70.94 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.234 -179.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -55.63 -39.08 70.35 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.518 1.151 . . . . 0.0 110.817 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 1.003 ' OH ' ' O ' ' B' ' 45' ' ' PHE . 14.5 t80 -91.06 4.51 51.93 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.605 -1.188 . . . . 0.0 112.876 179.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.92 45.38 18.34 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 121.759 2.072 . . . . 0.0 111.303 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 72.4 mt -88.78 116.24 30.07 Favored 'Isoleucine or valine' 0 C--O 1.271 2.196 0 CA-C-O 115.054 -2.403 . . . . 0.0 106.305 175.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.32 169.62 8.44 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 126.152 2.158 . . . . 0.0 109.759 -176.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.83 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-O 123.106 1.431 . . . . 0.0 109.217 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 66.94 19.17 10.63 Favored 'General case' 0 C--O 1.256 1.397 0 N-CA-C 117.844 2.535 . . . . 0.0 117.844 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.8 t -71.12 159.52 34.55 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 174.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 2.4 t -118.94 126.62 52.19 Favored 'General case' 0 C--N 1.308 -1.238 0 CA-C-O 118.189 -0.91 . . . . 0.0 108.829 175.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.844 HD22 ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -103.15 154.54 19.2 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-O 114.719 -2.562 . . . . 0.0 105.767 174.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 57.3 t60 -105.52 135.79 46.27 Favored 'General case' 0 C--N 1.283 -2.308 0 O-C-N 127.525 3.016 . . . . 0.0 105.734 177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 tp -107.18 115.78 30.77 Favored 'General case' 0 C--O 1.283 2.816 0 CA-C-O 117.639 -1.172 . . . . 0.0 111.42 176.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t -108.02 139.88 28.51 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 N-CA-C 103.506 -2.776 . . . . 0.0 103.506 175.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.808 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.44 0.37 Allowed 'General case' 0 N--CA 1.479 0.982 0 CA-C-O 121.079 0.466 . . . . 0.0 109.834 178.367 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.448 ' HB2' ' H ' ' C' ' 102' ' ' SER . 0.5 OUTLIER 159.81 158.66 0.01 OUTLIER 'General case' 0 C--N 1.277 -2.546 0 CA-C-O 113.372 -3.204 . . . . 0.0 105.48 179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.495 HD12 ' HB2' ' A' ' 65' ' ' SER . 7.6 mt -155.01 88.38 1.17 Allowed 'General case' 0 C--N 1.293 -1.859 0 O-C-N 125.793 1.933 . . . . 0.0 109.667 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.4 mmt180 47.35 34.14 3.08 Favored 'General case' 0 C--O 1.242 0.697 0 CA-C-N 113.835 -1.529 . . . . 0.0 108.726 -179.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -62.24 84.67 0.04 OUTLIER Glycine 0 C--O 1.245 0.804 0 CA-C-N 114.852 -1.067 . . . . 0.0 115.18 -178.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.507 0 CA-C-O 116.626 -2.208 . . . . 0.0 108.31 179.119 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 95.8 p . . . . . 0 CA--C 1.512 -0.505 0 CA-C-O 121.97 0.89 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 7.5 m-80 -68.75 151.02 47.2 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 119.103 -2.248 . . . . 0.0 110.99 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -172.25 106.47 0.19 Allowed 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.745 2.018 . . . . 0.0 110.639 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -89.09 137.88 31.92 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.535 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 75.3 mt -70.19 -39.59 75.12 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.646 0.736 . . . . 0.0 111.873 172.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 39.0 t -144.3 136.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 125.197 1.399 . . . . 0.0 107.464 -178.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.37 148.06 34.22 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.673 -0.811 . . . . 0.0 110.59 165.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -161.06 155.18 22.74 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.248 0.968 . . . . 0.0 111.242 173.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -72.21 127.81 33.72 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.316 178.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.22 147.71 6.69 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 115.071 -0.968 . . . . 0.0 110.048 179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.83 25.08 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.276 -1.929 . . . . 0.0 108.276 175.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.07 -179.25 3.8 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . 0.788 ' HG2' ' HB3' ' C' ' 106' ' ' PHE . 0.0 OUTLIER -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . 0.508 ' N ' ' SD ' ' C' ' 31' ' ' MET . 26.0 t -136.64 156.57 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.108 -1.437 . . . . 0.0 108.781 177.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.78 116.1 28.72 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 177.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -112.28 115.82 29.39 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 172.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.32 -116.05 8.61 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 11.6 t -113.97 14.52 18.46 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.378 -0.411 . . . . 0.0 109.958 178.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 85.5 m -112.01 122.51 47.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -172.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.505 HG23 ' O ' ' C' ' 38' ' ' VAL . 35.2 m -76.14 119.97 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 174.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 54.5 m -124.14 119.37 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.161 -173.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.86 134.79 59.21 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 117.959 -0.894 . . . . 0.0 111.855 173.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -85.81 132.21 34.16 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 105.282 -2.118 . . . . 0.0 105.282 172.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -11.3 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -172.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.07 144.39 56.16 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 171.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . 0.461 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.29 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.299 -179.058 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.6 tt -128.41 124.38 36.15 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.339 -1.726 . . . . 0.0 106.339 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 65.9 t -91.03 137.59 21.41 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 164.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 48.7 p90 -151.94 157.85 42.34 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.918 0.866 . . . . 0.0 113.041 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 55.3 mt -118.8 131.05 72.72 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 113.577 -1.647 . . . . 0.0 108.341 174.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -133.98 137.6 44.9 Favored 'General case' 0 CA--C 1.494 -1.18 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.348 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -100.23 122.01 42.37 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 170.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 67.8 p -84.01 171.17 13.2 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.268 177.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -71.58 -10.44 59.77 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.677 -0.809 . . . . 0.0 113.165 -170.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 73.85 -1.35 3.09 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.419 1.487 . . . . 0.0 114.671 -177.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.8 mp -74.83 149.9 39.46 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.124 179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 4.1 mm -102.21 129.02 54.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.6 m170 -117.56 125.34 50.64 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -176.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -98.75 118.96 36.67 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 171.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 29.8 m -127.71 156.92 41.63 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.55 128.21 40.65 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.554 -1.657 . . . . 0.0 108.715 169.371 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -120.59 134.27 55.3 Favored 'General case' 0 N--CA 1.444 -0.767 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.805 -176.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.18 115.3 13.52 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 173.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.0 mtm180 -64.03 -32.39 73.93 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 -176.267 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 80.8 p -72.53 -46.1 56.19 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 -175.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 1.3 p -91.49 -20.48 21.69 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.597 -176.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.74 60.89 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.723 -171.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -72.48 129.99 39.62 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.17 109.16 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -94.51 -28.83 15.24 Favored 'General case' 0 C--O 1.206 -1.236 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.984 -171.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -122.02 135.53 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.838 0.828 . . . . 0.0 109.386 177.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.97 103.3 2.39 Favored 'General case' 0 CA--C 1.499 -1.0 0 N-CA-C 104.565 -2.383 . . . . 0.0 104.565 -178.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.02 123.25 45.23 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.259 -174.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 3.0 mt -75.87 124.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.391 1.091 . . . . 0.0 111.661 168.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 47.5 mm -122.97 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.381 0 CA-C-N 114.624 -1.171 . . . . 0.0 109.607 -174.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . 0.546 ' HB2' HD11 ' A' ' 44' ' ' ILE . 4.8 m-85 -101.29 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.554 0 O-C-N 124.36 1.038 . . . . 0.0 110.861 173.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -54.33 133.91 58.37 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.861 2.374 . . . . 0.0 111.371 -179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.57 6.72 5.85 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 116.698 2.11 . . . . 0.0 116.698 -175.684 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -70.29 -33.7 71.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 119.008 0.822 . . . . 0.0 109.617 176.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -154.87 168.14 27.9 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.477 -1.289 . . . . 0.0 113.601 -173.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 21.5 mp0 -133.41 139.34 46.7 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.468 -1.696 . . . . 0.0 106.998 -178.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.466 ' CD1' HG21 ' C' ' 124' ' ' VAL . 4.7 t80 -106.79 124.17 49.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.51 156.53 42.57 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -177.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 12.4 ttm180 -67.85 142.9 55.99 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 115.01 -0.995 . . . . 0.0 108.408 177.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . 0.851 ' HB ' HG23 ' C' ' 93' ' ' VAL . 2.6 t -94.33 98.39 2.93 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -61.0 -32.0 91.87 Favored 'Trans proline' 0 N--CA 1.476 0.45 0 N-CA-C 117.796 2.191 . . . . 0.0 117.796 -167.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -91.09 8.61 34.67 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.207 -164.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . 0.455 ' HB2' HG21 ' C' ' 93' ' ' VAL . 0.5 OUTLIER -85.07 119.6 72.66 Favored Pre-proline 0 CA--C 1.516 -0.351 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.545 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 34.6 Cg_exo -56.92 -19.91 34.07 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.033 1.018 . . . . 0.0 114.425 -173.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.49 -34.66 78.8 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.399 0.545 . . . . 0.0 110.06 178.043 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.51 13.0 64.84 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.529 -172.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 20.1 mtm-85 -121.0 17.11 11.71 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . 0.851 HG23 ' HB ' ' C' ' 85' ' ' VAL . 24.7 m -97.07 133.43 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.538 -0.542 . . . . 0.0 109.538 173.665 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 18.9 m-85 -125.06 151.77 45.21 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 125.552 1.783 . . . . 0.0 110.43 178.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.93 135.4 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.84 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 179.246 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tp -95.52 108.08 20.29 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 104.854 -2.276 . . . . 0.0 104.854 169.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 2.0 tttt -109.21 125.11 51.88 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -171.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -84.74 115.7 22.84 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.066 0.854 . . . . 0.0 109.199 176.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . 0.528 ' HD3' HD13 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.43 -25.16 68.15 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.353 -169.592 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.34 115.18 28.86 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 173.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.89 172.41 27.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.801 -0.919 . . . . 0.0 110.801 -172.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . 0.448 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 0.1 OUTLIER -91.42 9.06 33.31 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.042 -0.681 . . . . 0.0 110.562 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 1.4 tppm? -70.7 129.17 38.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 117.928 -1.509 . . . . 0.0 110.496 -165.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.8 46.19 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.318 -0.855 . . . . 0.0 109.94 175.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 61.5 mt -124.51 126.12 45.33 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 105.87 -1.9 . . . . 0.0 105.87 171.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . 0.788 ' HB3' ' HG2' ' C' ' 31' ' ' MET . 0.1 OUTLIER -100.83 143.67 30.7 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 124.674 1.234 . . . . 0.0 110.289 -177.515 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . 0.49 ' N ' ' CD1' ' C' ' 106' ' ' PHE . 82.4 m-85 -137.09 156.68 48.08 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.606 -1.179 . . . . 0.0 109.262 178.686 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 17.4 t90 -131.43 126.55 35.41 Favored 'General case' 0 N--CA 1.419 -1.993 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.389 175.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 15.1 mmt -62.66 137.82 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.278 -174.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 -118.91 3.96 11.5 Favored 'General case' 0 N--CA 1.429 -1.517 0 CA-C-N 114.634 -1.167 . . . . 0.0 110.216 179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -61.31 135.86 93.87 Favored Pre-proline 0 C--O 1.265 1.913 0 CA-C-O 123.058 1.408 . . . . 0.0 108.665 172.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -61.21 -41.41 42.84 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.636 -1.109 . . . . 0.0 112.426 -174.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.6 p -83.4 -9.27 59.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.231 178.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -53.54 -33.84 56.05 Favored 'General case' 0 C--O 1.221 -0.416 0 C-N-CA 123.389 0.676 . . . . 0.0 112.797 -169.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -103.26 5.97 37.84 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.6 p-10 -56.95 -48.8 77.47 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 118.983 -1.087 . . . . 0.0 110.212 -177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.87 -32.16 70.38 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 119.396 -0.922 . . . . 0.0 110.511 -173.372 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 61.5 mt-10 -67.38 -44.0 79.99 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.925 175.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -55.6 -45.91 77.39 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 121.025 -1.047 . . . . 0.0 112.264 173.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . 0.726 ' O ' ' CG1' ' C' ' 124' ' ' VAL . 0.0 OUTLIER -60.61 -43.0 97.94 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.705 0.765 . . . . 0.0 110.336 179.035 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 2.7 mtt180 -61.98 -43.47 98.77 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.05 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.2 -42.37 96.66 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . 0.726 ' CG1' ' O ' ' C' ' 121' ' ' CYS . 1.4 p -52.27 -51.92 28.55 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 120.101 -0.64 . . . . 0.0 110.42 175.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . 0.515 ' HA ' HD23 ' C' ' 128' ' ' LEU . 5.0 t-20 -60.34 -39.47 87.21 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.954 0.724 . . . . 0.0 112.954 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -65.29 -45.97 82.27 Favored 'General case' 0 CA--C 1.513 -0.446 0 C-N-CA 120.824 -0.35 . . . . 0.0 111.526 -178.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 59.8 m-85 -79.09 -24.42 43.47 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.35 -174.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.04 -36.14 41.52 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.794 -0.763 . . . . 0.0 112.24 174.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . 0.466 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.74 -11.07 14.44 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 113.048 0.758 . . . . 0.0 113.048 -168.581 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 58.0 m-80 -141.18 71.93 27.29 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 169.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.28 167.59 19.35 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 121.592 1.528 . . . . 0.0 111.58 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo . . . . . 0 C--N 1.29 -2.522 0 C-N-CA 122.497 2.131 . . . . 0.0 111.656 179.87 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.5 mmm . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.0 tt0 -91.12 138.21 31.77 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 126.824 2.577 . . . . 0.0 108.936 178.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.9 pp -131.27 163.03 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.361 0 N-CA-C 105.612 -1.996 . . . . 0.0 105.612 173.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.443 ' CE2' HG22 ' A' ' 14' ' ' THR . 0.2 OUTLIER -115.99 140.18 49.51 Favored 'General case' 0 N--CA 1.513 2.695 1 O-C-N 130.543 4.902 . . . . 0.0 108.725 179.694 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.801 ' CB ' HD21 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -118.01 114.21 44.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.783 0 CA-C-O 113.357 -3.211 . . . . 0.0 105.591 175.745 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.7 tptt -95.22 127.58 41.38 Favored 'General case' 0 N--CA 1.505 2.3 1 O-C-N 129.422 4.201 . . . . 0.0 107.932 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.1 p -99.64 170.84 8.3 Favored 'General case' 0 C--N 1.353 0.761 0 CA-C-O 117.93 -1.033 . . . . 0.0 109.314 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.3 mt -73.38 -6.99 49.78 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.057 0.848 . . . . 0.0 112.65 -177.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -101.58 15.1 29.95 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 115.711 -2.395 . . . . 0.0 111.965 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.31 16.83 80.09 Favored Glycine 0 C--N 1.296 -1.644 0 O-C-N 120.222 -1.549 . . . . 0.0 116.033 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 138.18 34.49 Favored 'General case' 0 C--N 1.309 -1.168 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 174.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.08 131.65 55.16 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.624 2.453 . . . . 0.0 105.913 176.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 47.7 mm -109.57 141.91 23.55 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 127.678 3.111 . . . . 0.0 108.884 179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.443 HG22 ' CE2' ' A' ' 4' ' ' PHE . 1.3 p -101.39 139.68 36.71 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 117.162 -1.815 . . . . 0.0 108.151 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.2 mt -126.41 154.08 44.11 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-O 115.434 -2.222 . . . . 0.0 108.371 -179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 mp0 -111.88 121.03 43.92 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.293 4.12 . . . . 0.0 103.63 174.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.3 m -138.92 170.69 15.89 Favored 'Isoleucine or valine' 0 C--O 1.255 1.382 0 O-C-N 127.529 3.018 . . . . 0.0 111.222 -177.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -119.97 144.44 37.51 Favored Pre-proline 0 C--N 1.315 -0.929 0 CA-C-N 112.35 -2.204 . . . . 0.0 106.3 174.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -54.96 -24.28 38.69 Favored 'Trans proline' 0 C--N 1.322 -0.862 0 C-N-CA 122.445 2.096 . . . . 0.0 112.008 177.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 7.9 p -80.09 -8.07 59.2 Favored 'General case' 0 C--O 1.243 0.716 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.905 -177.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -71.05 148.44 47.55 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 117.457 -1.697 . . . . 0.0 109.835 -179.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -83.81 160.49 21.19 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 175.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.689 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 0.6 OUTLIER -61.45 -37.04 76.83 Favored 'Isoleucine or valine' 0 C--O 1.245 0.832 0 O-C-N 127.155 2.784 . . . . 0.0 110.253 175.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -57.61 -40.23 78.66 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.384 -0.823 . . . . 0.0 110.7 177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.23 -41.98 80.44 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 121.828 -0.545 . . . . 0.0 110.96 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 85.6 t -58.18 -46.42 88.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 O-C-N 124.487 1.117 . . . . 0.0 109.257 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -60.91 -37.83 83.62 Favored 'General case' 0 C--O 1.259 1.585 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.678 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.15 87.39 Favored 'General case' 0 C--O 1.277 2.502 0 CA-C-N 118.116 0.417 . . . . 0.0 111.142 176.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.2 ttmt -64.05 -37.49 87.63 Favored 'General case' 0 C--O 1.253 1.287 0 CA-C-O 123.087 1.423 . . . . 0.0 110.721 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.99 -39.52 77.51 Favored 'Isoleucine or valine' 0 C--O 1.251 1.18 0 N-CA-C 106.704 -1.591 . . . . 0.0 106.704 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.26 -48.71 78.7 Favored 'General case' 0 N--CA 1.497 1.899 0 CA-C-O 125.539 2.59 . . . . 0.0 109.078 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -53.23 -41.77 65.72 Favored 'General case' 0 C--O 1.253 1.239 0 CA-C-N 113.415 -1.72 . . . . 0.0 111.925 179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 0.0 OUTLIER -93.63 -24.16 18.0 Favored 'General case' 0 C--O 1.281 2.756 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -175.854 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -123.44 -6.47 8.17 Favored 'General case' 0 C--N 1.303 -1.417 0 CA-C-N 123.132 2.696 . . . . 0.0 114.252 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.76 89.93 Favored Glycine 0 CA--C 1.478 -2.254 0 N-CA-C 118.916 2.327 . . . . 0.0 118.916 176.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 39.0 mt -79.77 124.71 83.3 Favored Pre-proline 0 C--O 1.244 0.813 0 C-N-CA 118.908 -1.117 . . . . 0.0 110.936 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 82.2 Cg_exo -56.88 136.84 78.83 Favored 'Trans proline' 0 C--O 1.257 1.468 0 C-N-CA 123.317 2.678 . . . . 0.0 110.877 178.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.8 Cg_exo -57.17 -31.97 92.1 Favored 'Trans proline' 0 C--O 1.263 1.765 0 O-C-N 123.031 1.016 . . . . 0.0 113.665 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.43 -15.4 63.53 Favored 'General case' 0 C--O 1.262 1.717 0 O-C-N 119.787 -1.821 . . . . 0.0 112.235 -177.49 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.89 -10.33 29.08 Favored 'General case' 0 N--CA 1.484 1.234 0 O-C-N 120.639 -1.288 . . . . 0.0 112.026 178.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -84.85 129.61 34.79 Favored 'General case' 0 C--N 1.316 -0.887 0 CA-C-O 124.305 2.002 . . . . 0.0 115.754 -177.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.06 116.02 24.23 Favored 'General case' 0 C--O 1.299 3.686 0 N-CA-C 104.983 -2.229 . . . . 0.0 104.983 171.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' C ' HD13 ' A' ' 44' ' ' ILE . 1.4 mp -103.48 130.21 50.79 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-N 119.504 1.047 . . . . 0.0 109.962 -177.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.434 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -122.11 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.844 0 O-C-N 125.183 1.552 . . . . 0.0 111.846 -177.513 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -144.36 129.52 18.66 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.425 -2.065 . . . . 0.0 105.425 177.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.08 46.18 19.42 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 112.283 -2.235 . . . . 0.0 110.704 177.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 21.8 60.83 Favored Glycine 0 N--CA 1.432 -1.578 0 C-N-CA 128.674 3.035 . . . . 0.0 117.459 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.09 142.84 46.1 Favored 'General case' 0 C--N 1.306 -1.294 0 N-CA-C 107.121 -1.437 . . . . 0.0 107.121 177.636 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -85.9 130.22 34.61 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 103.764 -2.68 . . . . 0.0 103.764 174.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.673 ' HB3' HD13 ' A' ' 23' ' ' ILE . 4.9 mt -79.5 138.15 37.45 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-O 117.705 -1.14 . . . . 0.0 110.139 -175.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -101.68 140.08 36.46 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.087 1.492 . . . . 0.0 109.974 -177.704 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.689 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 40.2 m-20 -47.97 -42.56 27.99 Favored 'General case' 0 C--O 1.264 1.819 0 N-CA-C 120.8 3.63 . . . . 0.0 120.8 -175.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.58 -8.87 85.52 Favored Glycine 0 CA--C 1.489 -1.549 0 N-CA-C 116.274 1.27 . . . . 0.0 116.274 -177.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' O ' HG13 ' A' ' 23' ' ' ILE . 5.7 mmt-85 -85.46 165.4 17.19 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 119.735 -2.038 . . . . 0.0 107.993 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 35.1 p -104.5 164.86 11.45 Favored 'General case' 0 C--N 1.308 -1.199 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 177.055 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.64 -36.04 79.65 Favored 'General case' 0 C--O 1.202 -1.399 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 12.0 p -64.17 -29.38 70.5 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 117.284 -1.766 . . . . 0.0 112.182 -179.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -55.57 -39.6 70.88 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 122.314 1.054 . . . . 0.0 110.59 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -90.78 4.7 50.93 Favored 'General case' 0 C--N 1.299 -1.616 0 CA-C-O 117.704 -1.141 . . . . 0.0 112.977 179.201 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.0 45.22 18.34 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 121.643 2.019 . . . . 0.0 111.243 179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 5.7 mt -88.62 116.41 30.29 Favored 'Isoleucine or valine' 0 C--O 1.266 1.973 0 CA-C-O 115.087 -2.387 . . . . 0.0 106.246 175.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.51 169.7 8.38 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 126.159 2.162 . . . . 0.0 109.348 -176.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 pttp -54.93 142.89 27.97 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-O 123.24 1.495 . . . . 0.0 109.117 -176.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.455 ' CG ' HG22 ' B' ' 9' ' ' THR . 20.6 mt-10 67.18 19.06 10.4 Favored 'General case' 0 C--O 1.254 1.298 0 N-CA-C 117.991 2.589 . . . . 0.0 117.991 179.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 m -71.12 159.63 34.35 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 107.311 -1.366 . . . . 0.0 107.311 174.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.469 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.8 OUTLIER -119.25 126.74 52.21 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 118.239 -0.886 . . . . 0.0 108.76 175.814 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -103.13 154.51 19.22 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-O 114.776 -2.535 . . . . 0.0 105.649 175.16 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.6 ' C ' HD13 ' A' ' 69' ' ' LEU . 1.8 m-70 -105.59 135.6 46.71 Favored 'General case' 0 C--N 1.286 -2.153 0 O-C-N 127.387 2.93 . . . . 0.0 105.918 177.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.801 HD21 ' CB ' ' A' ' 5' ' ' VAL . 0.5 OUTLIER -106.87 115.78 30.79 Favored 'General case' 0 C--O 1.285 2.969 0 CA-C-O 117.617 -1.183 . . . . 0.0 111.445 176.701 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 29.1 t -108.0 139.88 28.48 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 103.62 -2.733 . . . . 0.0 103.62 174.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.01 138.95 32.91 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.283 0.564 . . . . 0.0 109.856 178.242 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.51 141.52 30.87 Favored 'General case' 0 C--N 1.278 -2.505 0 CA-C-O 113.12 -3.324 . . . . 0.0 105.611 178.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.11 154.4 1.59 Allowed 'General case' 0 C--N 1.29 -2.01 0 O-C-N 125.867 1.98 . . . . 0.0 109.553 -179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -131.45 -66.35 0.73 Allowed 'General case' 0 C--O 1.245 0.832 0 CA-C-N 113.691 -1.595 . . . . 0.0 108.862 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -134.42 -137.35 3.78 Favored Glycine 0 C--O 1.246 0.867 0 CA-C-N 114.537 -1.21 . . . . 0.0 115.113 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.478 0 N-CA-C 108.253 -1.939 . . . . 0.0 108.253 179.395 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.918 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -90.98 138.51 31.55 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 127.194 2.809 . . . . 0.0 108.818 178.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 48.0 pt -131.2 163.04 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.282 0 CA-C-O 115.793 -2.051 . . . . 0.0 105.886 173.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -115.92 140.16 49.52 Favored 'General case' 0 N--CA 1.514 2.757 1 O-C-N 130.585 4.928 . . . . 0.0 108.611 179.789 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.556 HG13 HG23 ' B' ' 13' ' ' ILE . 0.2 OUTLIER -117.97 114.13 44.35 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 CA-C-O 113.482 -3.151 . . . . 0.0 105.71 175.537 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -95.12 127.72 41.39 Favored 'General case' 0 N--CA 1.501 2.106 1 O-C-N 129.133 4.021 . . . . 0.0 108.194 -178.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.69 170.81 8.31 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.819 -1.086 . . . . 0.0 109.249 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.531 HD21 ' HA ' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -73.33 -7.05 49.98 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 124.128 0.893 . . . . 0.0 112.852 -178.277 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.455 HG22 ' CG ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -101.14 14.82 30.74 Favored 'General case' 0 N--CA 1.506 2.364 0 C-N-CA 115.685 -2.406 . . . . 0.0 112.027 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.56 80.18 Favored Glycine 0 C--N 1.295 -1.713 0 O-C-N 120.271 -1.518 . . . . 0.0 116.103 179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 15.4 mtmm -96.21 137.9 34.6 Favored 'General case' 0 C--N 1.306 -1.301 0 N-CA-C 105.56 -2.015 . . . . 0.0 105.56 174.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 9.5 t -119.86 131.89 55.4 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 126.419 2.324 . . . . 0.0 106.209 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.556 HG23 HG13 ' B' ' 5' ' ' VAL . 0.0 OUTLIER -109.48 141.76 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 127.777 3.173 . . . . 0.0 109.13 179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 9.8 t -101.21 139.91 36.24 Favored 'General case' 0 N--CA 1.496 1.865 0 C-N-CA 116.958 -1.897 . . . . 0.0 108.343 177.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mp -126.53 154.05 44.34 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 115.401 -2.238 . . . . 0.0 108.45 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -111.82 121.24 44.51 Favored 'General case' 0 N--CA 1.496 1.831 1 O-C-N 129.261 4.101 . . . . 0.0 103.542 174.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.1 m -139.05 170.64 15.83 Favored 'Isoleucine or valine' 0 C--O 1.253 1.267 0 O-C-N 127.79 3.181 . . . . 0.0 111.157 -177.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -120.1 144.62 38.13 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 112.079 -2.328 . . . . 0.0 106.306 174.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -54.81 -24.88 40.3 Favored 'Trans proline' 0 C--N 1.318 -1.057 0 C-N-CA 122.742 2.295 . . . . 0.0 111.532 177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.77 -8.2 59.12 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 118.076 -0.964 . . . . 0.0 110.913 -177.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -71.09 148.5 47.41 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 117.279 -1.769 . . . . 0.0 109.758 -179.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.8 p -83.8 160.47 21.2 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 175.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.679 HD12 ' O ' ' B' ' 54' ' ' ARG . 1.7 mp -61.47 -36.7 74.85 Favored 'Isoleucine or valine' 0 C--O 1.239 0.537 0 O-C-N 126.906 2.629 . . . . 0.0 110.398 175.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.787 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.14 -42.94 77.72 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 120.355 -1.466 . . . . 0.0 111.008 176.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -64.46 -44.47 90.98 Favored 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.215 1.006 . . . . 0.0 111.415 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 73.9 t -58.68 -46.28 90.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 O-C-N 124.894 1.371 . . . . 0.0 108.948 178.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -60.65 -38.05 83.56 Favored 'General case' 0 C--O 1.255 1.377 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.864 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.97 86.62 Favored 'General case' 0 C--O 1.277 2.504 0 O-C-N 123.414 0.446 . . . . 0.0 111.35 176.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.99 -37.39 87.24 Favored 'General case' 0 C--O 1.253 1.253 0 O-C-N 120.505 -1.372 . . . . 0.0 110.892 175.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 15.7 mt -69.83 -39.75 78.14 Favored 'Isoleucine or valine' 0 C--O 1.254 1.319 0 N-CA-C 106.719 -1.586 . . . . 0.0 106.719 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -48.91 78.35 Favored 'General case' 0 N--CA 1.499 1.984 0 CA-C-O 125.502 2.572 . . . . 0.0 108.923 179.654 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -53.38 -41.77 66.24 Favored 'General case' 0 C--O 1.256 1.428 0 CA-C-N 113.682 -1.599 . . . . 0.0 111.853 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 0.0 OUTLIER -93.44 -24.37 18.06 Favored 'General case' 0 C--O 1.28 2.697 0 N-CA-C 117.182 2.29 . . . . 0.0 117.182 -175.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.6 -6.3 8.08 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 122.906 2.594 . . . . 0.0 113.792 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.63 90.02 Favored Glycine 0 CA--C 1.476 -2.402 0 N-CA-C 118.767 2.267 . . . . 0.0 118.767 176.613 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.489 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 26.6 mt -79.85 125.01 83.01 Favored Pre-proline 0 C--O 1.243 0.712 0 C-N-CA 118.673 -1.211 . . . . 0.0 111.04 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.489 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 79.7 Cg_exo -57.1 137.03 80.07 Favored 'Trans proline' 0 C--O 1.257 1.429 0 C-N-CA 122.952 2.435 . . . . 0.0 110.91 178.253 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.2 Cg_exo -57.25 -32.17 92.86 Favored 'Trans proline' 0 C--O 1.26 1.618 0 O-C-N 123.09 1.047 . . . . 0.0 113.366 -179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -68.36 -15.49 63.58 Favored 'General case' 0 C--O 1.265 1.874 0 O-C-N 120.035 -1.665 . . . . 0.0 112.155 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.545 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.54 -10.63 29.12 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 120.497 -1.377 . . . . 0.0 112.201 178.442 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 6.5 mt-30 -84.88 129.65 34.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 124.246 1.974 . . . . 0.0 115.717 -177.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.5 tpm_? -121.1 116.11 24.37 Favored 'General case' 0 C--O 1.298 3.639 0 N-CA-C 104.85 -2.278 . . . . 0.0 104.85 172.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.469 ' HB3' HD13 ' B' ' 67' ' ' LEU . 7.7 mt -103.58 130.2 50.97 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-N 119.474 1.034 . . . . 0.0 110.025 -177.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.575 ' C ' ' CD1' ' B' ' 45' ' ' PHE . 0.1 OUTLIER -121.84 131.55 72.85 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.68 0 O-C-N 125.159 1.537 . . . . 0.0 112.109 -177.578 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.93 ' CZ ' HD22 ' B' ' 50' ' ' LEU . 0.0 OUTLIER -144.17 129.78 19.11 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.426 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 45.93 19.78 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 112.068 -2.333 . . . . 0.0 110.719 177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.82 20.26 59.55 Favored Glycine 0 C--N 1.297 -1.591 0 C-N-CA 128.352 2.882 . . . . 0.0 117.346 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 14.3 mtp180 -109.88 143.79 39.28 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 115.391 -2.243 . . . . 0.0 110.921 174.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.1 130.3 34.56 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 104.068 -2.568 . . . . 0.0 104.068 173.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.93 HD22 ' CZ ' ' B' ' 45' ' ' PHE . 0.8 OUTLIER -79.59 138.48 37.47 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-O 117.54 -1.219 . . . . 0.0 110.049 -175.797 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -101.94 140.04 36.76 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 125.302 1.626 . . . . 0.0 109.958 -177.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.787 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.4 OUTLIER -48.31 -42.01 29.82 Favored 'General case' 0 C--O 1.261 1.708 0 N-CA-C 120.756 3.613 . . . . 0.0 120.756 -175.744 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.58 85.1 Favored Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 -177.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.679 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -85.61 165.26 17.17 Favored 'General case' 0 C--O 1.249 1.061 0 O-C-N 120.14 -1.8 . . . . 0.0 108.006 176.42 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 22.1 p -104.26 164.53 11.66 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 mp -61.05 -36.52 79.79 Favored 'General case' 0 C--O 1.2 -1.51 0 N-CA-C 108.12 -1.067 . . . . 0.0 108.12 177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 72.5 p -63.57 -29.78 70.98 Favored 'General case' 0 C--O 1.266 1.96 0 C-N-CA 117.257 -1.777 . . . . 0.0 112.227 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.67 -38.91 70.24 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-O 122.582 1.182 . . . . 0.0 110.899 179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -91.17 4.5 52.08 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 117.631 -1.176 . . . . 0.0 112.912 179.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.92 45.43 18.27 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 121.687 2.04 . . . . 0.0 111.241 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 43.5 mm -88.71 116.29 30.12 Favored 'Isoleucine or valine' 0 C--O 1.27 2.171 0 CA-C-O 114.979 -2.439 . . . . 0.0 106.25 175.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 80.5 mm-40 -103.41 169.51 8.5 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 126.183 2.177 . . . . 0.0 109.706 -176.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 15.3 tttt -54.86 142.93 27.49 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 123.178 1.465 . . . . 0.0 109.315 -176.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 67.07 19.03 10.54 Favored 'General case' 0 C--O 1.256 1.432 0 N-CA-C 117.871 2.545 . . . . 0.0 117.871 179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 6.1 t -71.04 159.63 34.39 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.183 -1.414 . . . . 0.0 107.183 174.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.04 126.62 52.12 Favored 'General case' 0 C--N 1.307 -1.259 0 CA-C-O 118.165 -0.921 . . . . 0.0 108.776 175.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.497 ' CB ' ' CE2' ' B' ' 45' ' ' PHE . 1.5 pp -103.24 154.54 19.24 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 114.795 -2.526 . . . . 0.0 105.715 174.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.447 ' C ' HD12 ' B' ' 67' ' ' LEU . 0.9 OUTLIER -105.53 135.75 46.37 Favored 'General case' 0 C--N 1.284 -2.246 0 O-C-N 127.522 3.014 . . . . 0.0 105.742 178.011 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.04 115.8 30.82 Favored 'General case' 0 C--O 1.283 2.868 0 CA-C-O 117.696 -1.145 . . . . 0.0 111.462 176.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.531 ' HA ' HD21 ' B' ' 8' ' ' LEU . 46.3 t -108.05 139.97 28.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 103.449 -2.797 . . . . 0.0 103.449 175.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.582 ' C ' HD23 ' B' ' 71' ' ' LEU . 3.3 tt -96.2 -83.49 0.37 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 178.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.442 ' HA ' ' HA2' ' C' ' 101' ' ' GLY . 9.0 ttp85 173.78 -89.23 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.577 0 CA-C-O 113.4 -3.19 . . . . 0.0 105.405 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 mt 57.45 36.47 27.06 Favored 'General case' 0 C--N 1.293 -1.871 0 O-C-N 125.699 1.874 . . . . 0.0 109.665 -179.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.35 -171.13 1.9 Allowed 'General case' 0 C--O 1.242 0.669 0 CA-C-N 113.826 -1.534 . . . . 0.0 108.705 -178.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.59 59.16 0.03 OUTLIER Glycine 0 C--O 1.245 0.782 0 CA-C-N 114.851 -1.068 . . . . 0.0 115.185 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.481 0 CA-C-O 116.504 -2.275 . . . . 0.0 108.347 178.883 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.51 -0.561 0 CA-C-O 121.838 0.827 . . . . 0.0 110.975 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.6 t-20 58.03 66.43 1.11 Allowed 'General case' 0 C--N 1.289 -2.064 0 O-C-N 119.119 -2.238 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.34 -64.11 1.26 Allowed 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 126.833 2.053 . . . . 0.0 110.628 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -89.06 137.95 31.85 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.381 -0.827 . . . . 0.0 111.536 -178.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 25.5 mt -70.25 -39.57 74.95 Favored 'General case' 0 C--O 1.239 0.529 0 CA-C-O 121.662 0.744 . . . . 0.0 111.885 172.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 19.2 t -144.39 136.1 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 125.164 1.386 . . . . 0.0 107.413 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -144.29 148.12 34.41 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.633 -0.827 . . . . 0.0 110.574 165.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -161.05 155.19 22.79 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 124.222 0.951 . . . . 0.0 111.181 173.126 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.23 127.8 33.69 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.336 178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.17 147.77 6.78 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.07 0.938 . . . . 0.0 110.057 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.03 164.92 25.14 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 175.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -179.27 3.79 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.099 -1.075 . . . . 0.0 108.099 178.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . 0.54 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.13 161.04 37.22 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . 0.54 ' N ' ' HG2' ' C' ' 31' ' ' MET . 12.5 p -136.66 156.56 48.37 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 118.042 -1.463 . . . . 0.0 108.75 177.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 mp -92.74 116.16 28.77 Favored 'General case' 0 N--CA 1.438 -1.051 0 N-CA-C 105.89 -1.893 . . . . 0.0 105.89 177.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -112.37 115.8 29.31 Favored 'General case' 0 C--O 1.238 0.478 0 N-CA-C 106.533 -1.654 . . . . 0.0 106.533 172.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 5.5 t -113.99 14.49 18.43 Favored 'General case' 0 N--CA 1.448 -0.571 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.903 178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 43.9 p -111.99 122.55 48.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.504 HG23 ' O ' ' C' ' 38' ' ' VAL . 35.2 m -76.14 120.03 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.171 -1.418 . . . . 0.0 107.171 174.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 59.4 m -124.05 119.31 26.6 Favored Pre-proline 0 C--O 1.245 0.846 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.216 -173.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.89 134.9 59.76 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 CA-C-O 122.38 0.908 . . . . 0.0 111.828 173.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -85.77 132.15 34.18 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 172.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.89 -11.24 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.675 0.991 . . . . 0.0 113.675 -172.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -67.12 144.44 56.08 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 -173.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 11.0 tptt -68.15 125.55 26.73 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.3 171.35 21.52 Favored Glycine 0 C--N 1.317 -0.519 0 CA-C-O 123.2 1.445 . . . . 0.0 115.377 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 15.0 tp -128.44 124.37 36.06 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 106.302 -1.74 . . . . 0.0 106.302 175.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 45.4 t -91.03 137.52 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 164.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -151.84 157.8 42.38 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.991 0.9 . . . . 0.0 113.055 175.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 9.3 mt -118.86 131.07 72.73 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.572 -1.649 . . . . 0.0 108.327 174.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.1 tp-100 -134.05 137.6 44.78 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-N 115.054 -0.975 . . . . 0.0 108.38 -178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 20.3 mt-30 -100.18 122.06 42.42 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 170.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 14.7 p -83.97 171.08 13.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.321 177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -10.37 59.66 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.207 0.818 . . . . 0.0 113.207 -170.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.71 7.43 14.95 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.283 -0.167 . . . . 0.0 111.003 170.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 32.0 t 73.91 -1.35 3.09 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.387 1.475 . . . . 0.0 114.724 -177.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.9 mt -74.87 149.93 39.37 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 122.226 1.013 . . . . 0.0 113.082 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -102.24 129.15 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.094 -0.957 . . . . 0.0 109.116 -177.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 12.3 m-70 -117.65 125.35 50.57 Favored 'General case' 0 CA--C 1.512 -0.498 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 -176.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -98.84 118.94 36.73 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 171.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 93.4 m -127.62 156.9 41.57 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 -171.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 47.7 t90 -130.55 128.19 40.62 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.461 -1.699 . . . . 0.0 108.715 169.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -120.63 134.34 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.051 -1.431 . . . . 0.0 109.753 -176.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.21 115.31 13.57 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 173.337 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmm180 -64.01 -32.45 74.0 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -176.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 73.9 p -72.45 -46.17 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -175.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.46 -20.47 21.73 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.512 -176.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 2.72 60.53 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 39.5 t -84.19 109.14 17.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -94.52 -28.87 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.74 -0.784 . . . . 0.0 110.947 -171.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -121.94 135.6 54.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.808 0.813 . . . . 0.0 109.413 177.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -155.06 103.32 2.38 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 104.471 -2.418 . . . . 0.0 104.471 -178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.08 123.23 45.12 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.236 -174.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 23.7 pt -75.82 124.34 33.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.399 1.095 . . . . 0.0 111.661 168.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 16.1 mm -123.0 130.32 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.36 0 CA-C-N 114.61 -1.177 . . . . 0.0 109.569 -174.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 8.6 m-85 -101.26 159.05 30.58 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.498 1.124 . . . . 0.0 110.866 173.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.37 133.89 58.41 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.932 2.421 . . . . 0.0 111.282 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.54 6.79 5.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -175.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -70.36 -33.67 71.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.975 0.807 . . . . 0.0 109.543 176.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.401 ' SG ' HD21 ' C' ' 96' ' ' LEU . 26.6 p -154.9 168.22 27.66 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.481 -1.288 . . . . 0.0 113.639 -173.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -133.52 139.21 46.5 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.002 -178.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -106.68 124.21 49.27 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 5.9 mtpt -148.58 156.48 42.47 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -67.83 142.82 56.04 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.966 -1.015 . . . . 0.0 108.344 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 45.5 t -94.19 98.34 2.84 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 106.168 -1.79 . . . . 0.0 106.168 171.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_endo -61.08 -31.95 91.21 Favored 'Trans proline' 0 C--N 1.328 -0.527 0 N-CA-C 117.745 2.171 . . . . 0.0 117.745 -167.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 10.0 mp0 -91.05 8.6 34.65 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 117.868 -1.533 . . . . 0.0 112.236 -164.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 24.8 p -85.06 119.67 72.75 Favored Pre-proline 0 CA--C 1.515 -0.404 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.94 -19.92 34.22 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.425 -173.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 5.0 m -65.51 -34.61 78.68 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 118.406 0.548 . . . . 0.0 110.062 178.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.45 13.03 64.76 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.57 -172.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 17.2 mtt180 -120.98 17.14 11.73 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 116.271 1.952 . . . . 0.0 116.271 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . 0.646 HG22 ' CE3' ' C' ' 108' ' ' TRP . 16.3 t -97.14 133.53 38.39 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -125.1 151.77 45.26 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 125.514 1.759 . . . . 0.0 110.36 178.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . 0.445 HG22 ' HG3' ' C' ' 97' ' ' LYS . 8.2 p -127.01 135.36 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 179.212 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . 0.476 HD13 ' C ' ' C' ' 96' ' ' LEU . 3.4 tm? -95.49 108.15 20.36 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.115 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . 0.445 ' HG3' HG22 ' C' ' 95' ' ' VAL . 0.0 OUTLIER -109.28 125.2 52.04 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -171.097 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -84.79 115.64 22.83 Favored 'General case' 0 C--O 1.241 0.634 0 O-C-N 124.154 0.909 . . . . 0.0 109.222 176.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.4 ttpm? -63.41 -25.18 68.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.412 -169.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.22 115.1 28.78 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 173.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . 0.442 ' HA2' ' HA ' ' B' ' 72' ' ' ARG . . . 102.0 172.44 27.6 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -172.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 6.8 m -91.4 9.01 33.49 Favored 'General case' 0 C--N 1.318 -0.79 0 O-C-N 122.042 -0.681 . . . . 0.0 110.497 179.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 26.8 ttpt -70.56 129.22 38.64 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.614 -165.033 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.13 141.81 46.05 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.869 175.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.58 126.18 45.37 Favored 'General case' 0 CA--C 1.5 -0.951 0 N-CA-C 105.826 -1.916 . . . . 0.0 105.826 171.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . 0.423 ' HB2' ' SD ' ' C' ' 31' ' ' MET . 30.8 m-85 -100.87 143.73 30.66 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.68 1.237 . . . . 0.0 110.339 -177.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' C' ' 108' ' ' TRP . 92.6 m-85 -137.17 156.61 48.13 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.233 178.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . 0.646 ' CE3' HG22 ' C' ' 93' ' ' VAL . 1.7 m0 -131.4 126.67 35.76 Favored 'General case' 0 N--CA 1.419 -1.979 0 C-N-CA 119.555 -0.858 . . . . 0.0 110.45 174.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . 0.451 ' SD ' ' C ' ' C' ' 109' ' ' MET . 4.8 tmm? -62.7 137.78 58.35 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.272 -174.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -118.86 3.93 11.54 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.688 -1.142 . . . . 0.0 110.274 179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . 0.431 ' O ' ' SD ' ' C' ' 109' ' ' MET . 8.8 tp10 -61.33 135.89 93.91 Favored Pre-proline 0 C--O 1.264 1.838 0 CA-C-O 123.165 1.46 . . . . 0.0 108.628 173.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -61.32 -41.27 42.99 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.559 -1.161 . . . . 0.0 112.447 -174.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -96.12 146.96 24.22 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.513 173.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 11.9 t -83.53 -9.18 59.11 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.137 178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -53.64 -33.75 56.24 Favored 'General case' 0 C--O 1.223 -0.32 0 C-N-CA 123.37 0.668 . . . . 0.0 112.786 -169.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.23 5.81 37.83 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.738 1.014 . . . . 0.0 113.738 -174.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.307 -177.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -69.84 -32.28 70.6 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.505 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.28 -44.02 80.35 Favored 'General case' 0 CA--C 1.554 1.115 0 CA-C-O 120.836 0.35 . . . . 0.0 110.949 175.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 9.1 t-160 -55.59 -45.91 77.34 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.029 -1.044 . . . . 0.0 112.322 173.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 27.0 t -60.58 -43.08 97.73 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.712 0.768 . . . . 0.0 110.333 178.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.97 -43.43 98.86 Favored 'General case' 0 C--O 1.243 0.711 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.079 -179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.7 mttm -64.2 -42.32 96.7 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 15.8 t -52.23 -51.94 28.09 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 120.151 -0.62 . . . . 0.0 110.406 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . 0.506 ' HA ' HD23 ' C' ' 128' ' ' LEU . 0.4 OUTLIER -60.35 -39.53 87.48 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.773 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -65.3 -45.94 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.477 -178.375 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -79.07 -24.49 43.48 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.482 -0.887 . . . . 0.0 112.325 -174.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.07 -36.1 41.4 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.791 -0.764 . . . . 0.0 112.19 174.562 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . 0.449 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.78 -11.13 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.015 0.746 . . . . 0.0 113.015 -168.507 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 38.4 t-20 -141.13 71.76 27.69 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 169.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_exo -46.95 167.65 0.07 OUTLIER 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.616 1.544 . . . . 0.0 111.59 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.2 Cg_exo . . . . . 0 C--N 1.291 -2.497 0 C-N-CA 122.517 2.145 . . . . 0.0 111.607 179.786 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.549 0.907 0 N-CA-C 106.927 -1.509 . . . . 0.0 106.927 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -91.04 138.21 31.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 126.8 2.562 . . . . 0.0 108.92 178.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.4 pt -131.2 163.06 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.364 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 1.238 ' CZ ' ' HB2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -116.02 140.19 49.51 Favored 'General case' 0 N--CA 1.513 2.709 1 O-C-N 130.527 4.892 . . . . 0.0 108.8 179.627 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.04 114.29 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.747 0 CA-C-O 113.42 -3.181 . . . . 0.0 105.545 175.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 1.238 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -95.24 127.63 41.44 Favored 'General case' 0 N--CA 1.505 2.325 1 O-C-N 129.297 4.123 . . . . 0.0 107.926 -178.22 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.702 HG22 ' O ' ' A' ' 11' ' ' LYS . 9.4 t -99.63 170.7 8.4 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.734 -1.127 . . . . 0.0 109.407 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.29 -6.92 49.19 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 124.221 0.95 . . . . 0.0 112.716 -178.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.522 ' H ' HG23 ' A' ' 7' ' ' THR . 0.7 OUTLIER -101.59 14.92 30.52 Favored 'General case' 0 N--CA 1.503 2.176 0 C-N-CA 115.69 -2.404 . . . . 0.0 111.897 -179.864 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.76 80.11 Favored Glycine 0 C--N 1.298 -1.544 0 O-C-N 120.181 -1.574 . . . . 0.0 116.107 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.702 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.47 138.15 34.49 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 174.931 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.568 ' HB ' ' CE2' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -119.98 131.72 55.26 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 126.606 2.441 . . . . 0.0 105.948 176.321 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.54 141.87 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 127.698 3.124 . . . . 0.0 108.936 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 t -101.42 139.68 36.75 Favored 'General case' 0 N--CA 1.495 1.811 0 C-N-CA 117.169 -1.813 . . . . 0.0 108.169 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -126.39 153.99 44.2 Favored 'General case' 0 N--CA 1.446 -0.665 0 CA-C-O 115.432 -2.223 . . . . 0.0 108.345 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -111.79 121.05 44.02 Favored 'General case' 0 N--CA 1.499 2.006 1 O-C-N 129.26 4.1 . . . . 0.0 103.719 173.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.514 HG11 HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -138.99 170.57 15.99 Favored 'Isoleucine or valine' 0 C--O 1.255 1.353 0 O-C-N 127.537 3.023 . . . . 0.0 111.165 -177.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.448 ' O ' ' OD2' ' A' ' 21' ' ' ASP . 2.1 pt-20 -119.9 144.49 37.52 Favored Pre-proline 0 C--N 1.315 -0.921 0 CA-C-N 112.353 -2.203 . . . . 0.0 106.381 174.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_exo -55.09 -24.2 39.4 Favored 'Trans proline' 0 C--N 1.32 -0.935 0 C-N-CA 122.502 2.135 . . . . 0.0 111.94 177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.7 p -80.12 -8.02 59.2 Favored 'General case' 0 C--O 1.242 0.707 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.881 -177.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.448 ' OD2' ' O ' ' A' ' 18' ' ' GLU . 1.0 OUTLIER -71.11 148.5 47.39 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 117.423 -1.711 . . . . 0.0 109.762 -179.022 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.658 ' O ' HG13 ' A' ' 26' ' ' VAL . 1.5 p -83.74 160.58 21.24 Favored 'General case' 0 CA--C 1.546 0.819 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 175.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.573 ' O ' HG22 ' A' ' 26' ' ' VAL . 14.1 mm -61.6 -37.01 76.91 Favored 'Isoleucine or valine' 0 C--O 1.247 0.924 0 O-C-N 127.065 2.728 . . . . 0.0 110.25 175.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -57.57 -40.18 78.37 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.221 -0.924 . . . . 0.0 110.779 176.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.26 -41.99 80.29 Favored 'General case' 0 C--O 1.263 1.805 0 O-C-N 121.816 -0.553 . . . . 0.0 110.978 -178.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.658 HG13 ' O ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -58.2 -46.4 88.61 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 O-C-N 124.492 1.12 . . . . 0.0 109.192 178.146 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.805 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 6.7 mtpp -60.83 -37.93 83.71 Favored 'General case' 0 C--O 1.259 1.566 0 CA-C-O 118.866 -0.588 . . . . 0.0 110.682 -179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.639 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.13 -38.14 87.42 Favored 'General case' 0 C--O 1.277 2.534 0 CA-C-N 118.094 0.406 . . . . 0.0 111.156 176.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -64.11 -37.44 87.44 Favored 'General case' 0 C--O 1.255 1.351 0 CA-C-O 123.087 1.422 . . . . 0.0 110.786 176.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.506 HD13 HE22 ' A' ' 41' ' ' GLN . 1.8 mt -69.92 -39.6 77.77 Favored 'Isoleucine or valine' 0 C--O 1.251 1.158 0 N-CA-C 106.739 -1.578 . . . . 0.0 106.739 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 1.166 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -62.25 -48.72 78.71 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-O 125.578 2.609 . . . . 0.0 109.09 179.607 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.14 -41.85 65.49 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.544 -1.662 . . . . 0.0 111.962 178.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.316 1.9 tptm -93.54 -24.25 18.03 Favored 'General case' 0 C--O 1.28 2.696 0 N-CA-C 117.215 2.302 . . . . 0.0 117.215 -175.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -123.4 -6.51 8.18 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-N 123.156 2.707 . . . . 0.0 114.229 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.62 89.97 Favored Glycine 0 CA--C 1.479 -2.2 0 N-CA-C 118.849 2.3 . . . . 0.0 118.849 176.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.166 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 7.9 mt -79.73 124.82 83.34 Favored Pre-proline 0 C--O 1.245 0.834 0 C-N-CA 118.805 -1.158 . . . . 0.0 110.943 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -56.87 136.76 78.36 Favored 'Trans proline' 0 C--O 1.26 1.609 0 C-N-CA 123.337 2.692 . . . . 0.0 110.833 178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.802 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 27.3 Cg_exo -57.16 -31.91 91.9 Favored 'Trans proline' 0 C--O 1.263 1.755 0 O-C-N 122.967 0.983 . . . . 0.0 113.616 -179.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 74.4 m-20 -68.48 -15.39 63.53 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 119.777 -1.827 . . . . 0.0 112.163 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 mt-30 -96.01 -10.22 29.09 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 120.749 -1.22 . . . . 0.0 111.985 178.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.506 HE22 HD13 ' A' ' 30' ' ' ILE . 6.4 mt-30 -84.84 129.58 34.79 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.326 2.012 . . . . 0.0 115.724 -177.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -121.1 116.14 24.44 Favored 'General case' 0 C--O 1.3 3.743 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 171.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 7.1 mp -103.51 130.1 50.83 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 119.481 1.037 . . . . 0.0 109.904 -177.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.589 HD12 ' OD1' ' C' ' 79' ' ' ASP . 0.1 OUTLIER -122.03 131.89 72.14 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.875 0 O-C-N 125.192 1.558 . . . . 0.0 111.89 -177.581 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 46.3 t80 -144.36 129.59 18.72 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.434 -2.062 . . . . 0.0 105.434 177.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 46.06 19.79 Favored 'General case' 0 C--N 1.309 -1.163 0 CA-C-N 112.278 -2.237 . . . . 0.0 110.719 177.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.411 ' HA3' ' CD2' ' C' ' 98' ' ' PHE . . . 61.69 21.72 61.0 Favored Glycine 0 N--CA 1.432 -1.567 0 C-N-CA 128.715 3.055 . . . . 0.0 117.357 -179.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -115.01 142.78 46.17 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 177.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.5 mp0 -85.82 130.26 34.6 Favored 'General case' 0 C--O 1.257 1.482 0 N-CA-C 103.848 -2.649 . . . . 0.0 103.848 174.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.48 138.11 37.45 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 117.66 -1.162 . . . . 0.0 110.202 -175.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -101.73 140.07 36.51 Favored 'General case' 0 N--CA 1.479 1.008 0 O-C-N 125.092 1.495 . . . . 0.0 109.954 -177.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.3 p-10 -47.91 -42.51 27.32 Favored 'General case' 0 C--O 1.264 1.837 0 N-CA-C 120.831 3.641 . . . . 0.0 120.831 -176.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.59 -8.98 85.36 Favored Glycine 0 CA--C 1.489 -1.545 0 N-CA-C 116.222 1.249 . . . . 0.0 116.222 -177.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -85.39 165.39 17.26 Favored 'General case' 0 C--O 1.25 1.132 0 O-C-N 119.863 -1.963 . . . . 0.0 107.971 176.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 11.3 p -104.51 164.87 11.45 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 106.614 -1.625 . . . . 0.0 106.614 177.029 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.514 HD12 HG11 ' A' ' 17' ' ' VAL . 1.2 mt -61.61 -35.94 79.3 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 177.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 p -64.32 -29.37 70.45 Favored 'General case' 0 C--O 1.266 1.969 0 C-N-CA 117.252 -1.779 . . . . 0.0 112.153 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -55.55 -39.51 70.7 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 122.467 1.127 . . . . 0.0 110.706 179.533 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -90.82 4.6 51.28 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.691 -1.147 . . . . 0.0 112.973 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 58.12 45.17 18.04 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 121.596 1.998 . . . . 0.0 111.189 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.505 HD13 HD22 ' A' ' 56' ' ' LEU . 4.0 mt -88.68 116.49 30.44 Favored 'Isoleucine or valine' 0 C--O 1.267 1.988 0 CA-C-O 115.175 -2.345 . . . . 0.0 106.263 175.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.44 169.62 8.43 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 126.025 2.078 . . . . 0.0 109.43 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.81 28.11 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 123.182 1.468 . . . . 0.0 109.178 -176.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 67.11 19.17 10.47 Favored 'General case' 0 C--O 1.254 1.34 0 N-CA-C 118.001 2.593 . . . . 0.0 118.001 179.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.3 p -71.08 159.59 34.44 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 174.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.68 ' HB ' ' CD1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -119.16 126.75 52.33 Favored 'General case' 0 C--N 1.307 -1.271 0 CA-C-O 118.192 -0.909 . . . . 0.0 108.806 175.79 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.0 mp -103.2 154.61 19.15 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-O 114.876 -2.488 . . . . 0.0 105.629 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.511 ' O ' HG23 ' A' ' 44' ' ' ILE . 13.2 t-160 -105.65 135.63 46.71 Favored 'General case' 0 C--N 1.287 -2.125 0 O-C-N 127.296 2.872 . . . . 0.0 105.861 178.006 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.454 HD13 ' OE1' ' A' ' 41' ' ' GLN . 6.6 tp -106.85 115.78 30.78 Favored 'General case' 0 C--O 1.284 2.92 0 CA-C-O 117.607 -1.187 . . . . 0.0 111.442 176.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.464 HG21 ' CE1' ' C' ' 76' ' ' PHE . 4.5 t -108.1 139.83 28.83 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.907 0 N-CA-C 103.562 -2.755 . . . . 0.0 103.562 175.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 6.8 mp -95.95 138.84 33.01 Favored 'General case' 0 N--CA 1.48 1.056 0 CA-C-O 121.203 0.525 . . . . 0.0 109.887 178.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -173.28 132.25 0.48 Allowed 'General case' 0 C--N 1.278 -2.506 0 CA-C-O 113.114 -3.327 . . . . 0.0 105.532 178.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 56.7 tp -75.76 -81.7 0.08 Allowed 'General case' 0 C--N 1.289 -2.033 0 O-C-N 125.866 1.978 . . . . 0.0 109.569 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.18 171.81 19.77 Favored 'General case' 0 C--O 1.246 0.906 0 CA-C-N 113.656 -1.611 . . . . 0.0 108.856 -179.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 59.08 98.53 0.01 OUTLIER Glycine 0 C--O 1.246 0.881 0 CA-C-N 114.605 -1.18 . . . . 0.0 115.094 -179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.519 0 N-CA-C 108.303 -1.919 . . . . 0.0 108.303 179.367 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 mtt . . . . . 0 CA--C 1.549 0.919 0 N-CA-C 107.166 -1.42 . . . . 0.0 107.166 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -90.9 138.43 31.6 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 127.144 2.778 . . . . 0.0 108.86 178.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.16 163.05 38.08 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.299 0 CA-C-O 115.732 -2.08 . . . . 0.0 105.938 173.227 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.474 ' CZ ' HG23 ' B' ' 14' ' ' THR . 0.9 OUTLIER -115.93 140.09 49.59 Favored 'General case' 0 N--CA 1.513 2.699 1 O-C-N 130.614 4.946 . . . . 0.0 108.652 179.797 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.4 t -117.91 114.11 44.31 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 CA-C-O 113.496 -3.145 . . . . 0.0 105.836 175.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.07 127.55 41.21 Favored 'General case' 0 N--CA 1.502 2.147 1 O-C-N 129.112 4.007 . . . . 0.0 108.236 -178.188 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 52.1 p -99.57 170.87 8.29 Favored 'General case' 0 C--N 1.352 0.716 0 CA-C-O 117.787 -1.102 . . . . 0.0 109.266 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.599 ' H ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.37 -7.0 49.8 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 124.144 0.902 . . . . 0.0 112.875 -178.266 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 4.0 t -101.23 14.84 30.71 Favored 'General case' 0 N--CA 1.506 2.328 0 C-N-CA 115.705 -2.398 . . . . 0.0 111.947 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.7 80.09 Favored Glycine 0 C--N 1.295 -1.715 0 O-C-N 120.192 -1.568 . . . . 0.0 116.066 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -96.25 137.87 34.69 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 174.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.89 132.01 55.42 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 126.358 2.286 . . . . 0.0 106.223 176.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 tp -109.58 141.84 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 127.693 3.121 . . . . 0.0 109.022 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.474 HG23 ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -101.29 139.85 36.39 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 116.985 -1.886 . . . . 0.0 108.344 177.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.46 154.11 44.16 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 115.564 -2.16 . . . . 0.0 108.374 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -111.81 121.26 44.59 Favored 'General case' 0 N--CA 1.495 1.819 1 O-C-N 129.145 4.028 . . . . 0.0 103.511 173.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.21 170.61 15.7 Favored 'Isoleucine or valine' 0 C--O 1.253 1.266 0 O-C-N 127.796 3.185 . . . . 0.0 111.199 -177.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.93 144.6 37.79 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.09 -2.323 . . . . 0.0 106.353 174.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -54.94 -24.73 40.63 Favored 'Trans proline' 0 C--N 1.318 -1.071 0 C-N-CA 122.713 2.275 . . . . 0.0 111.531 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.0 m -79.85 -8.22 59.16 Favored 'General case' 0 C--O 1.243 0.725 0 CA-C-O 118.071 -0.966 . . . . 0.0 110.923 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -71.01 148.49 47.56 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 117.338 -1.745 . . . . 0.0 109.746 -178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -83.81 160.56 21.17 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 175.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.417 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 19.4 mm -61.49 -36.78 75.36 Favored 'Isoleucine or valine' 0 C--O 1.24 0.579 0 O-C-N 127.042 2.714 . . . . 0.0 110.353 175.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.786 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.12 -42.93 77.66 Favored 'General case' 0 C--O 1.251 1.168 0 O-C-N 120.398 -1.439 . . . . 0.0 111.014 176.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -64.47 -44.55 90.7 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 124.245 1.018 . . . . 0.0 111.351 -179.053 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 55.1 t -58.6 -46.33 90.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 114.32 -1.309 . . . . 0.0 108.933 179.001 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 40.1 mttm -60.7 -37.95 83.4 Favored 'General case' 0 C--O 1.254 1.342 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.858 -179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.3 -38.07 86.89 Favored 'General case' 0 C--O 1.279 2.626 0 O-C-N 123.384 0.427 . . . . 0.0 111.334 176.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.4 mtmm -63.96 -37.37 87.15 Favored 'General case' 0 C--O 1.254 1.319 0 O-C-N 120.41 -1.431 . . . . 0.0 110.917 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 60.0 mt -69.76 -39.73 78.29 Favored 'Isoleucine or valine' 0 C--O 1.255 1.346 0 N-CA-C 106.813 -1.551 . . . . 0.0 106.813 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -48.86 78.52 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.514 2.578 . . . . 0.0 109.009 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.34 -41.79 66.13 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 113.607 -1.633 . . . . 0.0 111.89 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.322 6.1 tptm -93.43 -24.26 18.11 Favored 'General case' 0 C--O 1.281 2.744 0 N-CA-C 117.273 2.323 . . . . 0.0 117.273 -175.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -123.66 -6.3 8.05 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-N 122.935 2.607 . . . . 0.0 113.858 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.92 5.66 89.96 Favored Glycine 0 CA--C 1.477 -2.305 0 N-CA-C 118.836 2.294 . . . . 0.0 118.836 176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.482 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 37.8 mt -80.0 125.07 82.61 Favored Pre-proline 0 C--O 1.241 0.647 0 C-N-CA 118.682 -1.207 . . . . 0.0 110.989 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.482 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 91.6 Cg_exo -57.14 137.03 80.0 Favored 'Trans proline' 0 C--O 1.257 1.431 0 C-N-CA 122.971 2.447 . . . . 0.0 110.865 178.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -57.25 -32.15 92.81 Favored 'Trans proline' 0 C--O 1.261 1.647 0 O-C-N 122.98 0.989 . . . . 0.0 113.351 -179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -68.26 -15.71 63.68 Favored 'General case' 0 C--O 1.262 1.758 0 O-C-N 119.948 -1.72 . . . . 0.0 112.242 -177.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.791 ' HB3' HD11 ' B' ' 71' ' ' LEU . 74.4 mm-40 -95.47 -10.6 29.37 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 120.524 -1.36 . . . . 0.0 112.252 178.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -84.84 129.71 34.77 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.264 1.983 . . . . 0.0 115.753 -177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.552 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 0.0 OUTLIER -121.17 116.09 24.28 Favored 'General case' 0 C--O 1.298 3.606 0 N-CA-C 104.812 -2.292 . . . . 0.0 104.812 172.181 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.499 ' C ' HD13 ' B' ' 44' ' ' ILE . 4.0 mm? -103.62 130.22 51.03 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-N 119.46 1.027 . . . . 0.0 109.914 -177.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.499 HD13 ' C ' ' B' ' 43' ' ' LEU . 0.5 OUTLIER -121.91 131.62 72.71 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.796 0 O-C-N 125.117 1.51 . . . . 0.0 112.048 -177.619 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.21 129.85 19.13 Favored 'General case' 0 C--N 1.359 0.98 0 N-CA-C 105.268 -2.123 . . . . 0.0 105.268 177.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 45.89 19.73 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-N 111.988 -2.369 . . . . 0.0 110.705 177.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.19 59.63 Favored Glycine 0 C--N 1.298 -1.544 0 C-N-CA 128.284 2.849 . . . . 0.0 117.397 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -109.83 143.81 39.17 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 115.335 -2.269 . . . . 0.0 110.996 174.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 26.7 tp60 -87.17 130.35 34.58 Favored 'General case' 0 C--N 1.281 -2.39 0 N-CA-C 103.975 -2.602 . . . . 0.0 103.975 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 66.5 mt -79.67 138.41 37.36 Favored 'General case' 0 C--N 1.311 -1.093 0 CA-C-O 117.626 -1.178 . . . . 0.0 110.091 -175.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -101.88 139.9 36.89 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 125.28 1.613 . . . . 0.0 110.009 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.786 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 1.1 p30 -48.17 -42.11 28.79 Favored 'General case' 0 C--O 1.263 1.795 0 N-CA-C 120.78 3.622 . . . . 0.0 120.78 -175.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.15 -8.61 85.25 Favored Glycine 0 CA--C 1.494 -1.268 0 N-CA-C 115.92 1.128 . . . . 0.0 115.92 -177.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -85.53 165.24 17.26 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.189 -1.771 . . . . 0.0 108.006 176.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 21.1 p -104.41 164.4 11.77 Favored 'General case' 0 C--N 1.311 -1.097 0 N-CA-C 106.726 -1.583 . . . . 0.0 106.726 177.032 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.445 HD22 HD13 ' B' ' 61' ' ' ILE . 33.3 mt -61.0 -36.31 79.13 Favored 'General case' 0 C--O 1.201 -1.457 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 177.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.7 m -63.75 -29.61 70.8 Favored 'General case' 0 C--O 1.267 2.016 0 C-N-CA 117.291 -1.764 . . . . 0.0 112.245 -179.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -55.76 -39.0 70.6 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.567 1.175 . . . . 0.0 110.731 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -91.16 4.5 52.07 Favored 'General case' 0 C--N 1.303 -1.449 0 CA-C-O 117.625 -1.179 . . . . 0.0 112.866 179.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.95 45.39 18.25 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 121.607 2.003 . . . . 0.0 111.301 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.445 HD13 HD22 ' B' ' 56' ' ' LEU . 20.8 mt -88.75 116.31 30.18 Favored 'Isoleucine or valine' 0 C--O 1.27 2.176 0 CA-C-O 115.029 -2.415 . . . . 0.0 106.234 175.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -103.39 169.52 8.49 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 126.163 2.164 . . . . 0.0 109.743 -176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.82 142.92 27.34 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 123.115 1.436 . . . . 0.0 109.305 -176.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 66.96 19.23 10.62 Favored 'General case' 0 C--O 1.256 1.422 0 N-CA-C 117.744 2.498 . . . . 0.0 117.744 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -71.12 159.6 34.4 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 107.172 -1.418 . . . . 0.0 107.172 174.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.07 126.62 52.1 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 118.228 -0.891 . . . . 0.0 108.784 175.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.22 154.59 19.18 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 114.727 -2.558 . . . . 0.0 105.696 175.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -105.57 135.8 46.31 Favored 'General case' 0 C--N 1.284 -2.272 0 O-C-N 127.574 3.046 . . . . 0.0 105.701 178.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 tt -107.19 115.87 30.93 Favored 'General case' 0 C--O 1.282 2.784 0 CA-C-O 117.731 -1.128 . . . . 0.0 111.399 176.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.414 HG23 ' HB2' ' B' ' 42' ' ' ARG . 33.8 m -108.21 139.97 28.47 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.756 0 N-CA-C 103.4 -2.815 . . . . 0.0 103.4 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.11 -83.39 0.37 Allowed 'General case' 0 N--CA 1.479 0.991 0 CA-C-O 121.051 0.453 . . . . 0.0 109.857 178.394 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? 63.94 99.71 0.04 OUTLIER 'General case' 0 C--N 1.277 -2.554 0 CA-C-O 113.489 -3.148 . . . . 0.0 105.453 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.24 -72.86 0.3 Allowed 'General case' 0 C--N 1.294 -1.837 0 O-C-N 125.606 1.817 . . . . 0.0 109.691 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.22 167.14 30.32 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 113.82 -1.536 . . . . 0.0 108.688 -179.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 170.68 -113.64 0.51 Allowed Glycine 0 C--O 1.245 0.786 0 CA-C-N 114.788 -1.096 . . . . 0.0 115.19 -178.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.443 0 CA-C-O 116.526 -2.264 . . . . 0.0 108.285 179.12 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 CA--C 1.511 -0.548 0 CA-C-O 121.9 0.857 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 57.79 88.94 0.05 Allowed 'General case' 0 C--N 1.289 -2.024 0 O-C-N 119.09 -2.256 . . . . 0.0 111.045 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -131.41 163.65 27.45 Favored 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.76 2.024 . . . . 0.0 110.675 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -89.06 137.95 31.85 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.536 -178.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.623 ' HB2' HG23 ' C' ' 49' ' ' ILE . 0.4 OUTLIER -70.28 -39.6 74.82 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.699 0.761 . . . . 0.0 111.844 172.476 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.675 ' HB ' HG22 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.31 136.1 21.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 107.426 -178.222 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.38 148.04 34.18 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.572 165.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -161.01 155.18 22.85 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.241 0.963 . . . . 0.0 111.21 173.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -72.26 127.87 33.9 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.181 -1.372 . . . . 0.0 112.307 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.098 179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.99 164.89 25.17 Favored Glycine 0 N--CA 1.445 -0.731 0 N-CA-C 108.247 -1.941 . . . . 0.0 108.247 175.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 -179.2 3.77 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . 0.733 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.3 mpt? -137.07 161.09 37.04 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.44 -1.318 . . . . 0.0 107.44 174.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 87.8 p -136.67 156.54 48.4 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.067 -1.453 . . . . 0.0 108.734 177.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mp -92.73 116.17 28.77 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 177.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.38 115.81 29.33 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.519 -1.66 . . . . 0.0 106.519 172.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 10.4 t -113.92 14.52 18.52 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.37 -0.415 . . . . 0.0 109.958 178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 93.9 m -112.06 122.48 47.87 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -172.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 85.0 t -76.09 120.06 25.35 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.277 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 174.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 50.4 m -124.14 119.28 26.49 Favored Pre-proline 0 C--O 1.245 0.856 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.222 -173.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . 0.733 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 32.3 Cg_exo -59.91 134.79 59.01 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.956 -0.896 . . . . 0.0 111.846 173.455 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -85.68 132.16 34.2 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 172.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -80.95 -11.17 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 -172.28 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -67.08 144.37 56.15 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 4.4 tptm -68.04 125.55 26.68 Favored 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 171.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.34 171.25 21.57 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.316 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 14.4 mt -128.43 124.37 36.06 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 175.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 15.9 t -90.91 137.63 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 164.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 38.2 p90 -151.95 157.76 42.22 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.973 0.892 . . . . 0.0 113.015 175.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.777 HG13 ' CE1' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -118.81 131.07 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.591 -1.641 . . . . 0.0 108.321 174.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 -134.02 137.68 44.89 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -100.25 122.06 42.45 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 170.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 68.4 p -83.99 171.16 13.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.33 177.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -71.54 -10.51 59.87 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -170.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -82.7 7.48 14.78 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.014 170.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 73.87 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.458 1.503 . . . . 0.0 114.684 -177.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -74.89 149.86 39.36 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-O 122.165 0.983 . . . . 0.0 113.034 179.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -102.15 129.08 54.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.138 -177.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.61 125.3 50.52 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -176.579 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.74 119.0 36.74 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.196 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 91.4 m -127.63 156.88 41.61 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 -171.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 78.4 t90 -130.5 128.26 40.83 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.552 -1.658 . . . . 0.0 108.738 169.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -120.65 134.25 55.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.064 -1.426 . . . . 0.0 109.773 -176.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.22 115.36 13.63 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 173.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 -64.0 -32.44 73.99 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.56 1.319 . . . . 0.0 114.56 -176.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . 0.468 HG23 ' N ' ' C' ' 66' ' ' SER . 5.5 t -72.51 -46.14 56.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -175.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . 0.468 ' N ' HG23 ' C' ' 65' ' ' THR . 0.0 OUTLIER -91.44 -20.53 21.68 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.516 -176.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.53 2.76 60.79 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -72.52 130.0 39.61 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.679 1.24 . . . . 0.0 113.159 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -84.2 109.14 17.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 N-CA-C 108.669 -0.863 . . . . 0.0 108.669 173.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -94.49 -28.89 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.942 -171.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -122.02 135.6 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.838 0.828 . . . . 0.0 109.386 177.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -155.04 103.31 2.38 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 104.449 -2.426 . . . . 0.0 104.449 -178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.06 123.21 45.1 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.253 -174.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 6.9 pt -75.83 124.36 33.72 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.384 1.087 . . . . 0.0 111.721 168.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.882 HG21 HD13 ' C' ' 128' ' ' LEU . 46.9 mm -123.02 130.29 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.381 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.597 -174.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . 0.475 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 1.2 p90 -101.24 158.98 30.76 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.403 1.064 . . . . 0.0 110.885 173.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -54.37 133.88 58.37 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.915 2.41 . . . . 0.0 111.264 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.59 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . 0.589 ' OD1' HD12 ' A' ' 44' ' ' ILE . 6.3 t0 -70.45 -33.61 71.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.038 0.835 . . . . 0.0 109.563 176.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 29.1 p -154.87 168.12 27.97 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.536 -1.266 . . . . 0.0 113.635 -173.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -133.45 139.31 46.63 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.468 -1.696 . . . . 0.0 106.992 -178.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.6 ' CE1' HD13 ' C' ' 96' ' ' LEU . 2.7 m-85 -106.76 124.19 49.25 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 9.6 mmtm -148.54 156.43 42.43 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 114.867 1.432 . . . . 0.0 114.867 -177.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -67.75 142.79 56.15 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.029 -0.987 . . . . 0.0 108.486 177.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 57.3 t -94.18 98.33 2.82 Favored Pre-proline 0 C--N 1.319 -0.732 0 N-CA-C 106.254 -1.758 . . . . 0.0 106.254 171.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -61.02 -31.96 91.75 Favored 'Trans proline' 0 C--N 1.328 -0.509 0 N-CA-C 117.814 2.198 . . . . 0.0 117.814 -167.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.09 8.59 34.79 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 117.971 -1.492 . . . . 0.0 112.207 -164.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -85.05 119.64 72.72 Favored Pre-proline 0 CA--C 1.516 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.96 -19.86 34.06 Favored 'Trans proline' 0 C--N 1.346 0.421 0 O-C-N 123.054 1.028 . . . . 0.0 114.422 -173.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 83.2 p -65.5 -34.63 78.71 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 118.437 0.562 . . . . 0.0 110.083 177.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.03 64.87 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.529 -172.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 11.3 mtm180 -121.09 17.18 11.64 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 116.294 1.961 . . . . 0.0 116.294 -179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 45.2 t -97.06 133.42 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 173.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . 0.749 ' CD1' ' HB2' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -125.05 151.74 45.22 Favored 'General case' 0 CA--C 1.499 -0.988 0 O-C-N 125.509 1.756 . . . . 0.0 110.448 178.588 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . 0.568 ' N ' ' CD2' ' C' ' 94' ' ' TYR . 1.3 m -126.94 135.33 63.98 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . 0.6 HD13 ' CE1' ' C' ' 82' ' ' PHE . 0.2 OUTLIER -95.43 108.1 20.29 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 104.833 -2.284 . . . . 0.0 104.833 169.151 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 13.1 mtpt -109.17 125.15 51.9 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -171.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.411 ' CD2' ' HA3' ' A' ' 47' ' ' GLY . 77.8 m-85 -84.77 115.72 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.052 0.845 . . . . 0.0 109.195 176.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.5 tttp -63.5 -25.09 68.1 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 114.996 -1.002 . . . . 0.0 111.429 -169.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.556 ' HB3' HD11 ' A' ' 44' ' ' ILE . . . -111.31 115.21 28.93 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 173.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . 0.552 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.91 172.39 27.71 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -172.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.38 9.08 33.12 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.099 -0.648 . . . . 0.0 110.588 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -70.63 129.17 38.46 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 117.882 -1.527 . . . . 0.0 110.573 -165.068 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.0 141.75 46.28 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.943 175.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.53 126.2 45.45 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.866 -1.901 . . . . 0.0 105.866 171.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' C' ' 106' ' ' PHE . 1.4 m-85 -100.94 143.68 30.79 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 124.698 1.249 . . . . 0.0 110.281 -177.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . 0.749 ' HB2' ' CD1' ' C' ' 94' ' ' TYR . 54.3 m-85 -137.1 156.68 48.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.234 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 10.6 t90 -131.43 126.54 35.35 Favored 'General case' 0 N--CA 1.42 -1.968 0 C-N-CA 119.581 -0.848 . . . . 0.0 110.388 175.063 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -62.66 137.74 58.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.278 -174.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -118.87 3.99 11.52 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.213 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 135.84 93.86 Favored Pre-proline 0 C--O 1.265 1.913 0 CA-C-O 123.028 1.394 . . . . 0.0 108.705 172.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.21 -41.32 43.51 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.609 -1.127 . . . . 0.0 112.444 -174.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -96.17 146.9 24.29 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.482 173.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 27.9 p -83.48 -9.19 59.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.166 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.61 -33.81 56.29 Favored 'General case' 0 C--O 1.222 -0.362 0 C-N-CA 123.403 0.681 . . . . 0.0 112.77 -169.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.19 5.8 37.93 Favored 'General case' 0 C--O 1.222 -0.346 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -174.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -56.91 -48.82 77.35 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.97 -1.092 . . . . 0.0 110.252 -177.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.76 -32.3 70.73 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.406 -0.918 . . . . 0.0 110.576 -173.474 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.3 -44.02 80.24 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.856 0.36 . . . . 0.0 110.91 175.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -55.61 -45.84 77.44 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 121.026 -1.046 . . . . 0.0 112.301 173.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . 0.85 ' O ' HG22 ' C' ' 124' ' ' VAL . 1.3 m -60.7 -43.06 98.26 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.681 0.753 . . . . 0.0 110.287 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -43.52 98.67 Favored 'General case' 0 C--O 1.243 0.75 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.074 -179.502 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 4.3 mttp -64.19 -42.34 96.7 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . 1.088 ' HA ' ' CE2' ' C' ' 127' ' ' TYR . 16.8 m -52.33 -51.94 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.152 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.336 175.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . 0.498 ' N ' HG23 ' C' ' 124' ' ' VAL . 1.4 m-20 -60.28 -39.52 87.15 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -178.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.29 -45.96 82.35 Favored 'General case' 0 CA--C 1.513 -0.462 0 C-N-CA 120.771 -0.372 . . . . 0.0 111.51 -178.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . 1.088 ' CE2' ' HA ' ' C' ' 124' ' ' VAL . 0.6 OUTLIER -79.07 -24.49 43.49 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.38 -174.597 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.882 HD13 HG21 ' C' ' 75' ' ' ILE . 5.9 mt -78.97 -36.08 42.03 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.771 -0.771 . . . . 0.0 112.322 174.465 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 4.6 m120 -110.79 -11.13 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -168.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -141.15 71.83 27.5 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 169.454 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -46.17 108.8 0.16 Allowed 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.592 1.528 . . . . 0.0 111.634 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo . . . . . 0 C--N 1.29 -2.538 0 C-N-CA 122.422 2.081 . . . . 0.0 111.573 179.804 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.1 ptt? . . . . . 0 CA--C 1.549 0.927 0 N-CA-C 106.871 -1.529 . . . . 0.0 106.871 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -91.12 138.19 31.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 126.856 2.597 . . . . 0.0 108.884 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.4 pp -131.22 162.97 38.3 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.372 0 N-CA-C 105.546 -2.02 . . . . 0.0 105.546 173.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.0 140.22 49.47 Favored 'General case' 0 N--CA 1.512 2.663 1 O-C-N 130.496 4.873 . . . . 0.0 108.787 179.582 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.7 t -118.06 114.2 44.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.779 0 CA-C-O 113.4 -3.191 . . . . 0.0 105.602 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -95.13 127.58 41.29 Favored 'General case' 0 N--CA 1.506 2.363 1 O-C-N 129.354 4.159 . . . . 0.0 107.95 -178.151 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 6.4 p -99.61 170.81 8.33 Favored 'General case' 0 C--N 1.353 0.734 0 CA-C-O 117.939 -1.029 . . . . 0.0 109.294 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.44 -6.85 48.97 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 124.046 0.841 . . . . 0.0 112.697 -177.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 1.7 t -101.55 14.97 30.36 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 115.754 -2.379 . . . . 0.0 111.936 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.79 80.21 Favored Glycine 0 C--N 1.297 -1.588 0 O-C-N 120.205 -1.56 . . . . 0.0 116.154 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.53 138.13 34.57 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 105.367 -2.086 . . . . 0.0 105.367 174.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 38.2 p -119.95 131.67 55.27 Favored 'General case' 0 N--CA 1.475 0.814 0 O-C-N 126.675 2.484 . . . . 0.0 105.928 176.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.53 141.98 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 O-C-N 127.738 3.149 . . . . 0.0 108.956 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 8.8 t -101.37 139.78 36.56 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.17 -1.812 . . . . 0.0 108.083 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -126.47 154.06 44.25 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-O 115.458 -2.211 . . . . 0.0 108.311 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -111.86 121.0 43.85 Favored 'General case' 0 N--CA 1.499 1.99 1 O-C-N 129.204 4.065 . . . . 0.0 103.639 173.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.4 m -138.92 170.6 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.335 0 O-C-N 127.477 2.986 . . . . 0.0 111.175 -177.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.403 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 1.0 OUTLIER -119.96 144.52 37.68 Favored Pre-proline 0 C--N 1.315 -0.905 0 CA-C-N 112.395 -2.184 . . . . 0.0 106.256 174.643 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_exo -55.03 -24.26 39.17 Favored 'Trans proline' 0 C--N 1.321 -0.894 0 C-N-CA 122.481 2.121 . . . . 0.0 111.993 177.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.1 p -80.08 -8.1 59.22 Favored 'General case' 0 C--O 1.243 0.749 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.857 -177.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 21' ' ' ASP . 30.2 p-10 -71.15 148.38 47.44 Favored 'General case' 0 N--CA 1.485 1.311 0 C-N-CA 117.505 -1.678 . . . . 0.0 109.81 -179.041 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.67 160.5 21.32 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 175.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 29.9 mm -61.44 -37.14 77.06 Favored 'Isoleucine or valine' 0 C--O 1.246 0.916 0 O-C-N 127.137 2.773 . . . . 0.0 110.212 175.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -57.5 -40.27 78.29 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.303 -0.873 . . . . 0.0 110.793 177.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -68.13 -42.01 80.8 Favored 'General case' 0 C--O 1.262 1.716 0 O-C-N 121.872 -0.517 . . . . 0.0 110.998 -178.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.412 HG21 HD11 ' A' ' 56' ' ' LEU . 2.7 t -58.22 -46.36 88.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 O-C-N 124.461 1.1 . . . . 0.0 109.173 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mtpp -60.93 -37.92 83.98 Favored 'General case' 0 C--O 1.258 1.532 0 CA-C-O 118.803 -0.617 . . . . 0.0 110.683 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.1 -38.17 87.56 Favored 'General case' 0 C--O 1.277 2.523 0 CA-C-N 118.107 0.412 . . . . 0.0 111.117 176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.14 -37.49 87.64 Favored 'General case' 0 C--O 1.255 1.391 0 CA-C-O 123.082 1.42 . . . . 0.0 110.678 176.153 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.444 HG21 ' NE2' ' A' ' 41' ' ' GLN . 1.8 mm -69.95 -39.58 77.66 Favored 'Isoleucine or valine' 0 C--O 1.251 1.155 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.17 -48.72 78.82 Favored 'General case' 0 N--CA 1.495 1.817 0 CA-C-O 125.556 2.598 . . . . 0.0 109.136 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.25 -41.71 65.73 Favored 'General case' 0 C--O 1.253 1.284 0 CA-C-N 113.39 -1.732 . . . . 0.0 111.991 178.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -93.67 -24.14 17.98 Favored 'General case' 0 C--O 1.28 2.687 0 N-CA-C 117.202 2.297 . . . . 0.0 117.202 -175.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -123.46 -6.48 8.15 Favored 'General case' 0 C--N 1.304 -1.374 0 CA-C-N 123.129 2.695 . . . . 0.0 114.23 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.6 90.0 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.948 2.339 . . . . 0.0 118.948 176.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.426 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 66.2 mt -79.73 124.83 83.33 Favored Pre-proline 0 C--O 1.244 0.803 0 C-N-CA 118.761 -1.176 . . . . 0.0 110.945 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.432 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 82.5 Cg_exo -57.02 136.85 79.15 Favored 'Trans proline' 0 C--O 1.259 1.537 0 C-N-CA 123.361 2.707 . . . . 0.0 110.715 178.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.7 Cg_exo -57.18 -31.94 92.01 Favored 'Trans proline' 0 C--O 1.263 1.761 0 O-C-N 122.925 0.96 . . . . 0.0 113.647 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -68.47 -15.33 63.51 Favored 'General case' 0 C--O 1.262 1.748 0 O-C-N 119.872 -1.767 . . . . 0.0 112.306 -177.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -95.95 -10.27 29.09 Favored 'General case' 0 N--CA 1.483 1.222 0 O-C-N 120.64 -1.287 . . . . 0.0 112.079 178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.444 ' NE2' HG21 ' A' ' 30' ' ' ILE . 28.9 mt-30 -84.92 129.59 34.78 Favored 'General case' 0 C--N 1.314 -0.939 0 CA-C-O 124.453 2.073 . . . . 0.0 115.792 -177.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.98 116.09 24.41 Favored 'General case' 0 C--O 1.299 3.703 0 N-CA-C 105.037 -2.209 . . . . 0.0 105.037 171.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.452 ' O ' HD12 ' A' ' 50' ' ' LEU . 84.7 mt -103.5 130.19 50.83 Favored 'General case' 0 N--CA 1.487 1.405 0 CA-C-N 119.566 1.075 . . . . 0.0 109.998 -177.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.416 HG21 ' OD2' ' C' ' 79' ' ' ASP . 1.6 mp -122.09 131.8 72.37 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.867 0 O-C-N 125.088 1.493 . . . . 0.0 111.852 -177.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 1.011 ' O ' ' OH ' ' A' ' 59' ' ' TYR . 28.1 t80 -144.32 129.5 18.68 Favored 'General case' 0 C--N 1.36 1.057 0 N-CA-C 105.429 -2.063 . . . . 0.0 105.429 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.22 46.1 19.92 Favored 'General case' 0 C--N 1.31 -1.132 0 CA-C-N 112.277 -2.238 . . . . 0.0 110.76 177.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.53 21.8 60.74 Favored Glycine 0 N--CA 1.431 -1.638 0 C-N-CA 128.668 3.033 . . . . 0.0 117.549 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 59' ' ' TYR . 17.7 mmtp -115.1 142.85 46.09 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 107.136 -1.431 . . . . 0.0 107.136 177.634 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.86 130.31 34.59 Favored 'General case' 0 N--CA 1.49 1.551 0 N-CA-C 103.728 -2.693 . . . . 0.0 103.728 174.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 43' ' ' LEU . 4.8 mp -79.44 138.08 37.47 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-O 117.622 -1.18 . . . . 0.0 110.196 -176.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -101.73 140.17 36.37 Favored 'General case' 0 N--CA 1.479 0.976 0 O-C-N 125.099 1.499 . . . . 0.0 109.983 -177.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.2 m-20 -48.07 -42.44 28.64 Favored 'General case' 0 C--O 1.263 1.801 0 N-CA-C 120.752 3.612 . . . . 0.0 120.752 -175.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.72 -8.88 85.38 Favored Glycine 0 CA--C 1.49 -1.488 0 N-CA-C 116.139 1.216 . . . . 0.0 116.139 -177.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.6 mtp180 -85.42 165.37 17.25 Favored 'General case' 0 C--O 1.251 1.151 0 O-C-N 119.822 -1.987 . . . . 0.0 107.986 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 17.5 p -104.54 164.85 11.46 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.605 -1.628 . . . . 0.0 106.605 176.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.412 HD11 HG21 ' A' ' 26' ' ' VAL . 4.6 mp -61.58 -35.97 79.33 Favored 'General case' 0 C--O 1.202 -1.43 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 177.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.17 -29.56 70.66 Favored 'General case' 0 C--O 1.267 2.004 0 C-N-CA 117.264 -1.774 . . . . 0.0 112.198 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -55.41 -39.54 70.33 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-O 122.451 1.12 . . . . 0.0 110.741 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 1.011 ' OH ' ' O ' ' A' ' 45' ' ' PHE . 0.6 OUTLIER -90.88 4.81 50.84 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-O 117.79 -1.1 . . . . 0.0 113.088 179.107 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.95 45.29 18.4 Favored 'General case' 0 N--CA 1.479 1.022 0 CA-C-N 121.537 1.972 . . . . 0.0 111.266 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.4 mt -88.78 116.57 30.64 Favored 'Isoleucine or valine' 0 C--O 1.266 1.962 0 CA-C-O 115.238 -2.315 . . . . 0.0 106.15 175.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.412 ' CB ' HD12 ' B' ' 73' ' ' LEU . 0.1 OUTLIER -103.48 169.67 8.39 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 126.018 2.074 . . . . 0.0 109.441 -176.724 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -54.95 142.94 27.91 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-O 123.169 1.461 . . . . 0.0 109.119 -176.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.9 mm-40 67.02 19.21 10.57 Favored 'General case' 0 C--O 1.254 1.305 0 N-CA-C 118.002 2.593 . . . . 0.0 118.002 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.442 ' OG ' HD23 ' B' ' 73' ' ' LEU . 30.8 m -71.22 159.58 34.38 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 107.258 -1.386 . . . . 0.0 107.258 174.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.14 126.74 52.31 Favored 'General case' 0 C--N 1.308 -1.227 0 CA-C-O 118.121 -0.942 . . . . 0.0 108.805 175.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -103.14 154.54 19.19 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-O 114.718 -2.563 . . . . 0.0 105.63 175.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -105.69 135.62 46.77 Favored 'General case' 0 C--N 1.286 -2.156 0 O-C-N 127.436 2.96 . . . . 0.0 105.817 177.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.0 tp -106.88 115.87 30.93 Favored 'General case' 0 C--O 1.284 2.912 0 CA-C-O 117.656 -1.164 . . . . 0.0 111.423 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.6 t -108.16 139.91 28.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 103.553 -2.758 . . . . 0.0 103.553 175.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.1 mp -96.08 138.88 33.06 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.207 0.527 . . . . 0.0 109.868 178.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.1 mtt180 -73.31 122.46 22.04 Favored 'General case' 0 C--N 1.278 -2.531 0 CA-C-O 113.212 -3.28 . . . . 0.0 105.552 178.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.5 mt -77.36 108.07 10.24 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 125.926 2.016 . . . . 0.0 109.523 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.47 109.69 7.8 Favored 'General case' 0 C--O 1.247 0.948 0 CA-C-N 113.62 -1.627 . . . . 0.0 108.865 -179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.96 -39.89 0.03 OUTLIER Glycine 0 C--O 1.247 0.946 0 CA-C-N 114.591 -1.186 . . . . 0.0 115.097 -178.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.485 0 N-CA-C 108.293 -1.923 . . . . 0.0 108.293 179.57 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.4 mtp . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 107.222 -1.399 . . . . 0.0 107.222 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.96 138.42 31.61 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 127.085 2.741 . . . . 0.0 108.807 178.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.609 HD13 HD23 ' B' ' 67' ' ' LEU . 2.7 pp -131.05 163.09 37.92 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 CA-C-O 115.739 -2.077 . . . . 0.0 105.896 173.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -116.02 140.11 49.59 Favored 'General case' 0 N--CA 1.514 2.745 1 O-C-N 130.638 4.961 . . . . 0.0 108.604 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 2.8 t -117.86 114.06 44.21 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.711 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.796 175.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 10.4 ttpt -95.06 127.48 41.16 Favored 'General case' 0 N--CA 1.502 2.147 1 O-C-N 129.227 4.079 . . . . 0.0 108.165 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 33.1 p -99.52 170.87 8.3 Favored 'General case' 0 C--N 1.351 0.66 0 CA-C-O 117.827 -1.082 . . . . 0.0 109.233 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.841 HD22 ' H ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.43 -7.0 49.92 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 124.078 0.861 . . . . 0.0 112.891 -178.3 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 2.7 m -101.22 14.88 30.57 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 115.627 -2.429 . . . . 0.0 112.041 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.42 16.72 80.09 Favored Glycine 0 C--N 1.297 -1.628 0 O-C-N 120.144 -1.598 . . . . 0.0 116.037 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 57.9 tttm -96.23 137.86 34.69 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 105.5 -2.037 . . . . 0.0 105.5 174.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.91 131.93 55.38 Favored 'General case' 0 C--N 1.322 -0.588 0 O-C-N 126.367 2.292 . . . . 0.0 106.216 176.093 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.47 141.79 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 127.77 3.169 . . . . 0.0 109.131 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.09 139.88 36.16 Favored 'General case' 0 N--CA 1.497 1.903 0 C-N-CA 117.05 -1.86 . . . . 0.0 108.386 177.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.65 154.04 44.56 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 115.553 -2.165 . . . . 0.0 108.354 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.79 121.09 44.15 Favored 'General case' 0 N--CA 1.495 1.808 1 O-C-N 129.234 4.084 . . . . 0.0 103.547 174.153 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -139.01 170.6 15.94 Favored 'Isoleucine or valine' 0 C--O 1.255 1.352 0 O-C-N 127.721 3.138 . . . . 0.0 111.246 -177.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 144.6 37.99 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 112.12 -2.309 . . . . 0.0 106.391 174.537 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -54.86 -24.76 40.18 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 C-N-CA 122.778 2.318 . . . . 0.0 111.559 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.83 -8.3 59.2 Favored 'General case' 0 C--O 1.243 0.754 0 O-C-N 121.107 -0.995 . . . . 0.0 110.923 -177.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -70.87 148.46 47.76 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 117.432 -1.707 . . . . 0.0 109.772 -178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -83.94 160.52 21.06 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 1.273 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.42 -36.71 74.83 Favored 'Isoleucine or valine' 0 C--O 1.24 0.602 0 O-C-N 126.964 2.665 . . . . 0.0 110.419 175.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.791 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.13 -42.99 77.77 Favored 'General case' 0 C--O 1.251 1.165 0 O-C-N 120.352 -1.467 . . . . 0.0 110.98 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -64.31 -44.59 91.11 Favored 'General case' 0 C--O 1.25 1.081 0 C-N-CA 124.183 0.993 . . . . 0.0 111.487 -179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 54.8 t -58.57 -46.33 90.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 114.194 -1.366 . . . . 0.0 108.935 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.564 ' HE2' HD11 ' B' ' 23' ' ' ILE . 2.5 mtmt -60.73 -37.99 83.63 Favored 'General case' 0 C--O 1.256 1.437 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.821 -179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -37.95 86.57 Favored 'General case' 0 C--O 1.278 2.563 0 O-C-N 123.356 0.41 . . . . 0.0 111.341 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -64.14 -37.31 86.99 Favored 'General case' 0 C--O 1.252 1.22 0 CA-C-O 123.03 1.395 . . . . 0.0 110.861 175.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.47 HD13 ' OE1' ' B' ' 41' ' ' GLN . 3.5 mt -69.83 -39.76 78.16 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -61.97 -48.79 78.78 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 125.641 2.638 . . . . 0.0 109.047 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -53.39 -41.74 66.22 Favored 'General case' 0 C--O 1.256 1.439 0 CA-C-N 113.716 -1.584 . . . . 0.0 111.886 179.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 7.3 mttp -93.42 -24.35 18.08 Favored 'General case' 0 C--O 1.28 2.664 0 N-CA-C 117.204 2.298 . . . . 0.0 117.204 -175.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -123.65 -6.45 8.04 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 122.918 2.599 . . . . 0.0 113.835 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.06 5.55 90.05 Favored Glycine 0 CA--C 1.476 -2.403 0 N-CA-C 118.813 2.285 . . . . 0.0 118.813 176.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.487 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 46.8 mt -79.85 125.03 82.98 Favored Pre-proline 0 C--O 1.241 0.637 0 C-N-CA 118.658 -1.217 . . . . 0.0 111.111 179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 83.5 Cg_exo -57.15 137.04 80.05 Favored 'Trans proline' 0 C--O 1.256 1.415 0 C-N-CA 122.893 2.395 . . . . 0.0 110.905 178.272 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.4 Cg_exo -57.29 -32.1 92.76 Favored 'Trans proline' 0 C--O 1.262 1.706 0 O-C-N 123.028 1.015 . . . . 0.0 113.313 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -68.34 -15.53 63.59 Favored 'General case' 0 C--O 1.263 1.776 0 O-C-N 120.022 -1.674 . . . . 0.0 112.246 -177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.814 ' HB3' HD11 ' B' ' 71' ' ' LEU . 29.2 mm-40 -95.61 -10.57 29.12 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 120.487 -1.383 . . . . 0.0 112.181 178.49 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.47 ' OE1' HD13 ' B' ' 30' ' ' ILE . 0.5 OUTLIER -84.87 129.66 34.78 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-O 124.176 1.941 . . . . 0.0 115.75 -177.522 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -121.21 116.09 24.25 Favored 'General case' 0 C--O 1.297 3.603 0 N-CA-C 104.834 -2.284 . . . . 0.0 104.834 172.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.61 ' C ' HD13 ' B' ' 44' ' ' ILE . 12.8 tp -103.51 130.24 50.85 Favored 'General case' 0 N--CA 1.483 1.215 0 CA-C-N 119.451 1.023 . . . . 0.0 110.001 -177.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.636 HD12 ' HG2' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -121.97 131.53 72.92 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.754 0 O-C-N 125.136 1.523 . . . . 0.0 112.069 -177.571 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.21 129.86 19.14 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 105.309 -2.108 . . . . 0.0 105.309 177.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 45.97 19.37 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 112.011 -2.359 . . . . 0.0 110.686 177.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.22 59.68 Favored Glycine 0 C--N 1.298 -1.556 0 C-N-CA 128.341 2.876 . . . . 0.0 117.287 -179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.84 143.87 39.1 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 115.377 -2.249 . . . . 0.0 110.953 174.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -87.09 130.28 34.57 Favored 'General case' 0 C--N 1.28 -2.424 0 N-CA-C 104.12 -2.548 . . . . 0.0 104.12 173.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.4 mt -79.57 138.44 37.47 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 117.645 -1.169 . . . . 0.0 110.08 -175.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 1.273 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.1 OUTLIER -101.86 140.06 36.65 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 125.206 1.567 . . . . 0.0 110.025 -177.738 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.833 ' O ' HG23 ' B' ' 23' ' ' ILE . 0.4 OUTLIER -48.35 -41.94 30.05 Favored 'General case' 0 C--O 1.263 1.78 0 N-CA-C 120.745 3.609 . . . . 0.0 120.745 -175.731 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.34 -8.48 85.11 Favored Glycine 0 CA--C 1.492 -1.373 0 N-CA-C 115.966 1.146 . . . . 0.0 115.966 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.8 ' O ' HG22 ' B' ' 23' ' ' ILE . 4.2 mmt85 -85.74 165.3 17.03 Favored 'General case' 0 C--O 1.251 1.141 0 O-C-N 120.099 -1.824 . . . . 0.0 107.957 176.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 12.4 p -104.27 164.59 11.62 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.779 -1.563 . . . . 0.0 106.779 177.032 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 mt -61.2 -36.36 79.66 Favored 'General case' 0 C--O 1.2 -1.531 0 N-CA-C 108.105 -1.072 . . . . 0.0 108.105 177.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 67.0 p -63.62 -29.82 71.01 Favored 'General case' 0 C--O 1.267 1.979 0 C-N-CA 117.334 -1.746 . . . . 0.0 112.187 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.7 -38.95 70.38 Favored 'General case' 0 N--CA 1.485 1.281 0 CA-C-O 122.554 1.169 . . . . 0.0 110.785 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 19.2 m-85 -91.16 4.52 52.01 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 117.57 -1.205 . . . . 0.0 112.857 179.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.96 45.26 18.42 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 121.679 2.036 . . . . 0.0 111.308 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -88.64 116.25 30.01 Favored 'Isoleucine or valine' 0 C--O 1.27 2.166 0 CA-C-O 115.115 -2.374 . . . . 0.0 106.277 175.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.37 169.56 8.47 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 126.066 2.104 . . . . 0.0 109.696 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 ttpt -54.85 142.94 27.4 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-O 123.042 1.401 . . . . 0.0 109.387 -176.694 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 66.94 19.15 10.63 Favored 'General case' 0 C--O 1.255 1.358 0 N-CA-C 117.906 2.558 . . . . 0.0 117.906 179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 40.8 t -71.17 159.63 34.31 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 107.244 -1.391 . . . . 0.0 107.244 174.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -119.02 126.6 52.1 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 118.214 -0.898 . . . . 0.0 108.868 175.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.609 HD23 HD13 ' B' ' 3' ' ' ILE . 1.8 mm? -103.15 154.58 19.15 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-O 114.65 -2.595 . . . . 0.0 105.71 175.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -105.63 135.79 46.4 Favored 'General case' 0 C--N 1.283 -2.293 0 O-C-N 127.62 3.075 . . . . 0.0 105.744 177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.463 ' C ' HD23 ' B' ' 69' ' ' LEU . 6.0 tt -107.14 115.76 30.74 Favored 'General case' 0 C--O 1.284 2.875 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.514 176.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.681 ' HA ' HD21 ' B' ' 8' ' ' LEU . 53.2 t -108.09 139.9 28.54 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 103.43 -2.804 . . . . 0.0 103.43 175.289 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.814 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.12 -83.38 0.37 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.065 0.459 . . . . 0.0 109.824 178.409 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.631 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 13.7 tpt180 144.72 150.8 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.554 0 CA-C-O 113.504 -3.141 . . . . 0.0 105.39 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.442 HD23 ' OG ' ' A' ' 65' ' ' SER . 2.8 mm? -121.94 -51.56 2.01 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 125.566 1.791 . . . . 0.0 109.741 179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 169.15 141.12 0.02 OUTLIER 'General case' 0 C--O 1.243 0.717 0 CA-C-N 113.841 -1.527 . . . . 0.0 108.748 -179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 164.97 169.94 29.26 Favored Glycine 0 C--O 1.245 0.782 0 CA-C-N 114.829 -1.078 . . . . 0.0 115.171 -178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.485 0 CA-C-O 116.566 -2.241 . . . . 0.0 108.249 179.054 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.512 -0.497 0 CA-C-O 121.951 0.882 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 4.5 t30 58.36 30.51 19.69 Favored 'General case' 0 C--N 1.289 -2.06 0 O-C-N 119.05 -2.281 . . . . 0.0 110.959 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -162.4 113.59 1.57 Allowed 'General case' 0 CA--C 1.509 -0.62 0 C-N-CA 126.783 2.033 . . . . 0.0 110.673 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -89.0 137.88 31.91 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.407 -0.815 . . . . 0.0 111.589 -178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.62 ' HB2' HG23 ' C' ' 49' ' ' ILE . 0.3 OUTLIER -70.25 -39.54 74.97 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.885 172.439 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.494 ' HB ' HG22 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.43 136.06 21.62 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 C-N-CA 125.178 1.391 . . . . 0.0 107.496 -178.205 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.37 148.01 34.16 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.671 -0.812 . . . . 0.0 110.572 165.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.99 155.17 22.89 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.264 0.978 . . . . 0.0 111.181 173.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.19 127.76 33.55 Favored 'General case' 0 C--O 1.254 1.334 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.375 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.565 ' HB3' HG12 ' C' ' 47' ' ' VAL . . . -166.16 147.66 6.75 Favored 'General case' 0 C--O 1.252 1.231 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.102 179.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.9 164.79 25.23 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 108.267 -1.933 . . . . 0.0 108.267 175.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.01 -179.2 3.79 Favored 'General case' 0 CA--C 1.513 -0.465 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.3 mtt -137.18 161.01 37.34 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . 0.592 ' O ' HG22 ' C' ' 39' ' ' THR . 7.5 m -136.6 156.5 48.48 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.827 177.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 116.12 28.73 Favored 'General case' 0 N--CA 1.436 -1.127 0 N-CA-C 105.939 -1.874 . . . . 0.0 105.939 177.291 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.37 115.85 29.39 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.05 8.62 Favored Glycine 0 N--CA 1.444 -0.789 0 N-CA-C 108.34 -1.904 . . . . 0.0 108.34 -169.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 4.5 t -113.9 14.48 18.54 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.412 -0.394 . . . . 0.0 110.028 177.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.7 m -111.97 122.46 47.82 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 16.9 t -76.09 120.03 25.29 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.057 -1.46 . . . . 0.0 107.057 174.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . 0.592 HG22 ' O ' ' C' ' 32' ' ' SER . 1.2 t -124.11 119.41 26.51 Favored Pre-proline 0 C--O 1.246 0.872 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.141 -173.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.85 134.77 59.08 Favored 'Trans proline' 0 N--CA 1.459 -0.548 0 CA-C-O 122.302 0.876 . . . . 0.0 111.909 173.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -85.74 132.14 34.19 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.13 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.06 144.36 56.17 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.295 1.221 . . . . 0.0 114.295 -173.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.08 125.58 26.81 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 171.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.34 171.25 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.134 1.408 . . . . 0.0 115.37 -179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.692 ' HB2' ' OH ' ' C' ' 48' ' ' TYR . 17.8 mt -128.4 124.44 36.33 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 175.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . 0.565 HG12 ' HB3' ' C' ' 28' ' ' ALA . 0.2 OUTLIER -90.98 137.57 21.45 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 164.553 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 1.295 ' OH ' ' HB3' ' C' ' 62' ' ' LYS . 0.0 OUTLIER -151.98 157.74 42.15 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 122.049 0.928 . . . . 0.0 112.911 175.597 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.839 HG13 ' CE2' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -118.73 131.09 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.738 0 CA-C-N 113.507 -1.679 . . . . 0.0 108.418 174.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.05 137.64 44.81 Favored 'General case' 0 CA--C 1.494 -1.186 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.374 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -100.19 122.05 42.41 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 170.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 7.5 t -84.08 171.19 13.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.238 177.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -71.65 -10.34 59.62 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 119.593 -0.843 . . . . 0.0 113.201 -170.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -82.68 7.41 14.92 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.021 170.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 4.0 t 73.83 -1.25 3.12 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 125.507 1.523 . . . . 0.0 114.749 -177.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 80.6 mt -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.505 HG22 HD11 ' C' ' 49' ' ' ILE . 0.0 OUTLIER -102.18 129.12 54.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.147 -177.639 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 1.4 m-70 -117.61 125.25 50.44 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 -176.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . 0.448 ' HE2' HG23 ' C' ' 47' ' ' VAL . 0.3 OUTLIER -98.79 118.98 36.77 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.213 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -127.73 156.9 41.68 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 -171.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . 0.433 ' HZ2' ' CZ ' ' C' ' 107' ' ' PHE . 4.0 m-90 -130.46 128.29 40.96 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.466 -1.697 . . . . 0.0 108.718 169.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . 1.295 ' HB3' ' OH ' ' C' ' 48' ' ' TYR . 0.6 OUTLIER -120.75 134.35 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.742 -176.313 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -74.29 115.36 13.71 Favored 'General case' 0 N--CA 1.445 -0.698 0 N-CA-C 107.753 -1.202 . . . . 0.0 107.753 173.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -64.1 -32.29 73.8 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 -176.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 33.0 p -72.49 -46.23 55.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 -175.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -91.43 -20.51 21.7 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.559 -176.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.75 60.84 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.53 130.03 39.68 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.624 1.212 . . . . 0.0 113.18 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.19 109.11 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -94.47 -28.77 15.29 Favored 'General case' 0 C--O 1.207 -1.171 0 C-N-CA 119.721 -0.791 . . . . 0.0 111.062 -171.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -122.07 135.53 54.83 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.861 0.839 . . . . 0.0 109.386 177.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.94 103.35 2.4 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.569 -2.382 . . . . 0.0 104.569 -178.287 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 16.5 mt -118.09 123.27 45.22 Favored 'General case' 0 N--CA 1.437 -1.106 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.275 -174.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.3 mp -75.89 124.28 33.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.377 1.084 . . . . 0.0 111.715 168.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -122.96 130.33 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.632 -174.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -101.27 158.98 30.75 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.463 1.102 . . . . 0.0 110.861 173.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -54.32 133.87 58.15 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.931 2.421 . . . . 0.0 111.289 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.6 6.7 5.85 Favored 'General case' 0 C--O 1.21 -1.0 0 N-CA-C 116.659 2.096 . . . . 0.0 116.659 -175.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . 0.416 ' OD2' HG21 ' A' ' 44' ' ' ILE . 20.5 m-20 -70.36 -33.67 71.72 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 119.003 0.819 . . . . 0.0 109.543 176.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 18.7 p -154.9 168.26 27.53 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.442 -1.303 . . . . 0.0 113.605 -173.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -133.48 139.26 46.57 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.501 -1.681 . . . . 0.0 107.065 -178.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.538 ' CG ' HG11 ' C' ' 124' ' ' VAL . 17.8 t80 -106.72 124.21 49.28 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 156.45 42.44 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.787 1.403 . . . . 0.0 114.787 -177.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 3.0 ttt-85 -67.78 142.83 56.1 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.357 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . 0.711 ' HB ' HG13 ' C' ' 93' ' ' VAL . 2.5 t -94.23 98.3 2.83 Favored Pre-proline 0 C--N 1.321 -0.658 0 N-CA-C 106.217 -1.772 . . . . 0.0 106.217 171.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -61.07 -31.87 91.23 Favored 'Trans proline' 0 C--N 1.329 -0.479 0 N-CA-C 117.837 2.207 . . . . 0.0 117.837 -167.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -91.09 8.64 34.54 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.236 -164.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . 0.526 ' HB2' HG11 ' C' ' 93' ' ' VAL . 12.7 t -85.12 119.66 72.69 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.355 -0.609 . . . . 0.0 109.355 174.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -56.97 -19.91 34.39 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.97 0.984 . . . . 0.0 114.39 -173.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 6.6 m -65.48 -34.61 78.67 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.419 0.554 . . . . 0.0 110.131 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.43 13.12 64.84 Favored Glycine 0 CA--C 1.506 -0.529 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.534 -172.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 7.2 ptm180 -120.99 16.98 11.72 Favored 'General case' 0 CA--C 1.513 -0.446 0 N-CA-C 116.236 1.939 . . . . 0.0 116.236 -179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . 0.711 HG13 ' HB ' ' C' ' 85' ' ' VAL . 2.7 p -96.92 133.39 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . 0.508 ' CB ' ' CZ ' ' C' ' 82' ' ' PHE . 1.9 m-85 -125.06 151.76 45.22 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 125.572 1.795 . . . . 0.0 110.43 178.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 9.8 p -126.93 135.4 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 N-CA-C 109.023 -0.732 . . . . 0.0 109.023 179.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -95.42 108.12 20.3 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 104.906 -2.257 . . . . 0.0 104.906 169.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 3.9 mttt -109.22 125.14 51.94 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -84.73 115.68 22.82 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.135 0.897 . . . . 0.0 109.214 176.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . 0.636 ' HG2' HD12 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.41 -25.17 68.16 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.011 -0.995 . . . . 0.0 111.412 -169.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.29 115.12 28.79 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 173.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.97 172.43 27.64 Favored Glycine 0 N--CA 1.447 -0.61 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -172.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -91.47 9.12 33.23 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 122.099 -0.648 . . . . 0.0 110.484 179.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.7 tptp -70.65 129.23 38.61 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.593 -165.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.07 141.73 46.15 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.948 175.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 25.4 mt -124.51 126.24 45.53 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -100.88 143.64 30.79 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.68 1.237 . . . . 0.0 110.316 -177.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . 0.433 ' CZ ' ' HZ2' ' C' ' 61' ' ' TRP . 0.5 OUTLIER -137.07 156.67 48.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.586 -1.188 . . . . 0.0 109.26 178.713 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -131.36 126.66 35.83 Favored 'General case' 0 N--CA 1.421 -1.897 0 C-N-CA 119.539 -0.864 . . . . 0.0 110.394 175.029 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . 0.449 ' HE1' HG23 ' C' ' 114' ' ' THR . 0.0 OUTLIER -62.75 137.79 58.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.272 -174.729 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 13.9 mm-40 -118.84 3.98 11.54 Favored 'General case' 0 N--CA 1.428 -1.534 0 CA-C-N 114.627 -1.169 . . . . 0.0 110.31 179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -61.37 135.88 93.97 Favored Pre-proline 0 C--O 1.265 1.906 0 CA-C-O 123.164 1.459 . . . . 0.0 108.63 172.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.24 -41.35 43.05 Favored 'Trans proline' 0 C--O 1.246 0.915 0 C-N-CA 117.603 -1.132 . . . . 0.0 112.466 -174.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.12 146.96 24.22 Favored 'General case' 0 C--O 1.221 -0.396 0 C-N-CA 120.486 -0.485 . . . . 0.0 110.513 173.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . 0.47 HG22 ' O ' ' C' ' 114' ' ' THR . 84.9 m -83.49 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.158 178.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -53.61 -33.84 56.38 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -103.08 5.77 38.2 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . 0.404 ' HB3' ' SD ' ' C' ' 109' ' ' MET . 22.9 p-10 -56.91 -48.8 77.37 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 118.986 -1.086 . . . . 0.0 110.276 -177.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -69.86 -32.18 70.41 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.492 -173.422 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.38 -44.04 79.9 Favored 'General case' 0 CA--C 1.554 1.108 0 CA-C-O 120.871 0.367 . . . . 0.0 110.84 175.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . 0.468 ' O ' HG12 ' C' ' 124' ' ' VAL . 3.8 t60 -55.49 -45.89 76.99 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.021 -1.05 . . . . 0.0 112.37 173.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . 0.806 ' O ' HG13 ' C' ' 124' ' ' VAL . 0.8 OUTLIER -60.64 -43.1 97.94 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-O 121.677 0.751 . . . . 0.0 110.326 179.01 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 11.9 mmt-85 -61.83 -43.51 98.71 Favored 'General case' 0 C--O 1.241 0.643 0 CA-C-N 115.406 -0.815 . . . . 0.0 109.117 -179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 1.6 mttp -64.26 -42.29 96.55 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 178.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . 1.012 ' HA ' ' CE1' ' C' ' 127' ' ' TYR . 0.6 OUTLIER -52.28 -51.96 28.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.421 175.496 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . 0.49 ' HA ' HD23 ' C' ' 128' ' ' LEU . 0.3 OUTLIER -60.25 -39.62 87.4 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.895 0.702 . . . . 0.0 112.895 -178.775 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -65.27 -45.97 82.37 Favored 'General case' 0 CA--C 1.514 -0.429 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.461 -178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . 1.012 ' CE1' ' HA ' ' C' ' 124' ' ' VAL . 0.4 OUTLIER -79.09 -24.42 43.47 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.35 -174.606 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.575 ' N ' ' CD2' ' C' ' 127' ' ' TYR . 0.4 OUTLIER -79.1 -36.05 41.33 Favored 'General case' 0 C--O 1.239 0.505 0 C-N-CA 119.745 -0.782 . . . . 0.0 112.282 174.506 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . 0.458 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 8.8 t-20 -110.74 -11.08 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 112.995 0.739 . . . . 0.0 112.995 -168.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -141.21 71.84 27.21 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.602 0.964 . . . . 0.0 113.602 169.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -47.05 170.11 0.05 OUTLIER 'Trans proline' 0 C--N 1.315 -1.191 0 C-N-CA 121.58 1.52 . . . . 0.0 111.667 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo . . . . . 0 C--N 1.29 -2.543 0 C-N-CA 122.462 2.108 . . . . 0.0 111.624 -179.88 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.0 mmm . . . . . 0 CA--C 1.549 0.942 0 N-CA-C 106.936 -1.505 . . . . 0.0 106.936 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -91.02 138.22 31.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 126.881 2.613 . . . . 0.0 108.957 178.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 17.9 pt -131.23 162.98 38.29 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.337 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -116.03 140.2 49.5 Favored 'General case' 0 N--CA 1.513 2.683 1 O-C-N 130.566 4.916 . . . . 0.0 108.771 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.422 ' O ' HG22 ' A' ' 5' ' ' VAL . 0.1 OUTLIER -118.07 114.24 44.62 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.576 175.837 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -95.23 127.53 41.36 Favored 'General case' 0 N--CA 1.505 2.285 1 O-C-N 129.297 4.123 . . . . 0.0 107.874 -178.073 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.6 170.78 8.35 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-O 117.861 -1.066 . . . . 0.0 109.345 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.31 -7.08 50.04 Favored 'General case' 0 N--CA 1.482 1.128 0 O-C-N 124.133 0.895 . . . . 0.0 112.663 -177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 12.4 t -101.54 15.0 30.27 Favored 'General case' 0 N--CA 1.502 2.145 0 C-N-CA 115.627 -2.429 . . . . 0.0 112.017 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.81 80.02 Favored Glycine 0 C--N 1.297 -1.585 0 O-C-N 120.181 -1.575 . . . . 0.0 116.047 179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.54 138.08 34.66 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 174.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 33.7 p -119.94 131.75 55.3 Favored 'General case' 0 N--CA 1.476 0.844 0 O-C-N 126.582 2.426 . . . . 0.0 105.885 176.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.566 HG22 ' CD1' ' A' ' 15' ' ' LEU . 2.4 mp -109.62 141.98 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 127.68 3.112 . . . . 0.0 108.851 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.6 t -101.43 139.66 36.79 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.177 -1.809 . . . . 0.0 108.207 178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.566 ' CD1' HG22 ' A' ' 13' ' ' ILE . 0.0 OUTLIER -126.36 154.16 43.92 Favored 'General case' 0 N--CA 1.445 -0.695 0 CA-C-O 115.452 -2.213 . . . . 0.0 108.322 -179.23 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -111.84 121.0 43.87 Favored 'General case' 0 N--CA 1.498 1.942 1 O-C-N 129.173 4.046 . . . . 0.0 103.664 173.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.96 170.56 16.03 Favored 'Isoleucine or valine' 0 C--O 1.255 1.347 0 O-C-N 127.511 3.007 . . . . 0.0 111.227 -177.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -119.96 144.55 37.74 Favored Pre-proline 0 C--N 1.315 -0.903 0 CA-C-N 112.318 -2.219 . . . . 0.0 106.382 174.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo -55.04 -24.21 39.07 Favored 'Trans proline' 0 C--N 1.319 -0.987 0 C-N-CA 122.448 2.098 . . . . 0.0 112.007 177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.1 p -80.19 -8.01 59.23 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 117.98 -1.01 . . . . 0.0 110.886 -177.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -71.04 148.4 47.61 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 117.409 -1.717 . . . . 0.0 109.782 -179.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.936 HG23 ' H ' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -83.79 160.49 21.21 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 175.795 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.733 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.8 mp -61.44 -37.01 76.77 Favored 'Isoleucine or valine' 0 C--O 1.246 0.89 0 O-C-N 127.139 2.774 . . . . 0.0 110.263 175.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.936 ' H ' HG23 ' A' ' 22' ' ' THR . 0.7 OUTLIER -57.66 -40.18 78.74 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.252 -0.905 . . . . 0.0 110.698 177.038 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.81 ' H ' HG22 ' A' ' 22' ' ' THR . 99.2 m-20 -68.31 -41.85 80.25 Favored 'General case' 0 C--O 1.263 1.804 0 O-C-N 121.959 -0.463 . . . . 0.0 110.982 -178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -46.46 88.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 O-C-N 124.379 1.049 . . . . 0.0 109.237 178.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.414 ' HG2' ' CD ' ' A' ' 41' ' ' GLN . 17.7 mtpt -60.78 -37.93 83.57 Favored 'General case' 0 C--O 1.259 1.591 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.806 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.12 87.26 Favored 'General case' 0 C--O 1.278 2.585 0 CA-C-N 118.14 0.427 . . . . 0.0 111.065 176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -64.19 -37.37 87.23 Favored 'General case' 0 C--O 1.255 1.363 0 O-C-N 120.484 -1.385 . . . . 0.0 110.703 176.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -70.03 -39.51 77.39 Favored 'Isoleucine or valine' 0 C--O 1.251 1.16 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -62.23 -48.73 78.69 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-O 125.492 2.567 . . . . 0.0 109.086 179.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.24 -41.76 65.74 Favored 'General case' 0 C--O 1.253 1.273 0 CA-C-N 113.534 -1.667 . . . . 0.0 111.98 179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 7.0 tttt -93.57 -24.23 18.02 Favored 'General case' 0 C--O 1.279 2.635 0 N-CA-C 117.225 2.306 . . . . 0.0 117.225 -175.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -123.4 -6.41 8.19 Favored 'General case' 0 C--N 1.305 -1.353 0 CA-C-N 123.08 2.673 . . . . 0.0 114.314 179.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.11 5.53 90.05 Favored Glycine 0 CA--C 1.476 -2.36 0 N-CA-C 119.004 2.362 . . . . 0.0 119.004 176.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.472 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 57.0 mt -79.78 124.71 83.3 Favored Pre-proline 0 C--O 1.244 0.799 0 C-N-CA 118.914 -1.114 . . . . 0.0 110.968 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 83.1 Cg_exo -56.97 136.94 79.62 Favored 'Trans proline' 0 C--O 1.257 1.462 0 C-N-CA 123.284 2.656 . . . . 0.0 110.778 178.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.8 Cg_exo -57.26 -31.89 92.08 Favored 'Trans proline' 0 C--O 1.262 1.705 0 O-C-N 122.963 0.981 . . . . 0.0 113.645 -179.446 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.5 -15.3 63.49 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.839 -1.788 . . . . 0.0 112.219 -177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -96.06 -10.22 28.96 Favored 'General case' 0 N--CA 1.485 1.283 0 O-C-N 120.77 -1.206 . . . . 0.0 111.999 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.414 ' CD ' ' HG2' ' A' ' 27' ' ' LYS . 4.9 tm0? -84.84 129.57 34.79 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-O 124.379 2.038 . . . . 0.0 115.767 -177.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 116.06 24.33 Favored 'General case' 0 C--O 1.298 3.653 0 N-CA-C 104.985 -2.228 . . . . 0.0 104.985 171.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.408 ' C ' HD12 ' A' ' 44' ' ' ILE . 13.2 mt -103.46 130.17 50.76 Favored 'General case' 0 N--CA 1.486 1.342 0 CA-C-N 119.495 1.043 . . . . 0.0 109.95 -177.522 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.408 HD12 ' C ' ' A' ' 43' ' ' LEU . 1.7 mp -122.01 131.82 72.3 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.828 0 O-C-N 125.05 1.469 . . . . 0.0 111.987 -177.607 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.6 t80 -144.33 129.56 18.73 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 105.459 -2.052 . . . . 0.0 105.459 177.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 46.03 19.82 Favored 'General case' 0 C--N 1.31 -1.119 0 CA-C-N 112.25 -2.25 . . . . 0.0 110.743 177.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' HA3' ' CE1' ' C' ' 98' ' ' PHE . . . 61.72 21.67 61.0 Favored Glycine 0 N--CA 1.431 -1.659 0 C-N-CA 128.598 2.999 . . . . 0.0 117.538 -179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 4.5 mtmm -115.11 142.83 46.12 Favored 'General case' 0 C--N 1.307 -1.279 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 177.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.82 130.25 34.6 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 103.769 -2.678 . . . . 0.0 103.769 174.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.41 138.08 37.5 Favored 'General case' 0 C--N 1.313 -0.998 0 CA-C-O 117.605 -1.188 . . . . 0.0 110.272 -176.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.5 OUTLIER -101.78 140.08 36.55 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 125.103 1.502 . . . . 0.0 109.934 -177.678 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -47.96 -42.53 27.8 Favored 'General case' 0 C--O 1.265 1.892 0 N-CA-C 120.783 3.623 . . . . 0.0 120.783 -175.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.79 85.57 Favored Glycine 0 CA--C 1.49 -1.508 0 N-CA-C 116.265 1.266 . . . . 0.0 116.265 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.733 ' O ' HD12 ' A' ' 23' ' ' ILE . 13.2 mtt-85 -85.54 165.44 17.09 Favored 'General case' 0 C--O 1.249 1.073 0 O-C-N 119.811 -1.994 . . . . 0.0 107.952 176.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.452 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.4 p -104.52 164.88 11.43 Favored 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 106.571 -1.64 . . . . 0.0 106.571 177.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.77 -35.93 79.56 Favored 'General case' 0 C--O 1.203 -1.358 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.1 p -64.19 -29.46 70.57 Favored 'General case' 0 C--O 1.267 1.996 0 C-N-CA 117.247 -1.781 . . . . 0.0 112.216 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -55.48 -39.64 70.66 Favored 'General case' 0 N--CA 1.486 1.339 0 CA-C-O 122.476 1.131 . . . . 0.0 110.683 179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -90.76 4.72 50.84 Favored 'General case' 0 C--N 1.301 -1.535 0 CA-C-O 117.701 -1.142 . . . . 0.0 113.064 179.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.3 t30 58.12 45.16 18.07 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 121.583 1.992 . . . . 0.0 111.184 179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 10.9 mt -88.75 116.51 30.53 Favored 'Isoleucine or valine' 0 C--O 1.267 2.017 0 CA-C-O 115.152 -2.356 . . . . 0.0 106.202 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -103.52 169.76 8.34 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 126.093 2.121 . . . . 0.0 109.289 -176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tttm -54.92 142.89 27.95 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-O 123.274 1.511 . . . . 0.0 109.076 -176.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 67.09 19.22 10.49 Favored 'General case' 0 C--O 1.256 1.413 0 N-CA-C 117.891 2.552 . . . . 0.0 117.891 179.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.2 m -71.19 159.58 34.4 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 174.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.562 HG21 ' HB ' ' B' ' 70' ' ' VAL . 1.3 t -119.2 126.8 52.4 Favored 'General case' 0 C--N 1.308 -1.234 0 CA-C-O 118.12 -0.943 . . . . 0.0 108.834 175.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mt -103.21 154.54 19.22 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 114.82 -2.514 . . . . 0.0 105.62 175.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 18.0 t-80 -105.58 135.61 46.68 Favored 'General case' 0 C--N 1.288 -2.106 0 O-C-N 127.323 2.889 . . . . 0.0 105.888 177.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.9 tp -106.84 115.84 30.88 Favored 'General case' 0 C--O 1.284 2.896 0 CA-C-O 117.636 -1.174 . . . . 0.0 111.454 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 86.7 t -108.12 139.91 28.55 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.878 0 N-CA-C 103.574 -2.75 . . . . 0.0 103.574 175.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 2.9 mp -96.14 138.95 33.0 Favored 'General case' 0 N--CA 1.481 1.119 0 CA-C-O 121.302 0.572 . . . . 0.0 109.816 178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -68.77 141.85 55.1 Favored 'General case' 0 C--N 1.279 -2.491 0 CA-C-O 113.141 -3.314 . . . . 0.0 105.533 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.4 tp 59.64 61.79 1.88 Allowed 'General case' 0 C--N 1.291 -1.975 0 O-C-N 125.946 2.029 . . . . 0.0 109.568 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.83 80.45 5.25 Favored 'General case' 0 C--O 1.246 0.912 0 CA-C-N 113.705 -1.589 . . . . 0.0 108.844 -179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 126.07 -124.82 5.3 Favored Glycine 0 C--O 1.245 0.826 0 CA-C-N 114.541 -1.208 . . . . 0.0 115.21 -179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 N-CA-C 108.285 -1.926 . . . . 0.0 108.285 179.504 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.01 138.47 31.58 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 127.194 2.809 . . . . 0.0 108.83 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.702 HD11 HG22 ' B' ' 61' ' ' ILE . 0.0 OUTLIER -131.11 163.02 38.12 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 CA-C-O 115.788 -2.053 . . . . 0.0 105.907 173.288 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.518 ' N ' HG23 ' B' ' 3' ' ' ILE . 47.3 m-85 -115.97 140.19 49.5 Favored 'General case' 0 N--CA 1.513 2.715 1 O-C-N 130.568 4.918 . . . . 0.0 108.57 179.768 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 t -117.96 114.1 44.26 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.693 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.794 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.06 127.57 41.22 Favored 'General case' 0 N--CA 1.502 2.148 1 O-C-N 129.171 4.044 . . . . 0.0 108.245 -178.15 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 43.2 p -99.51 170.83 8.33 Favored 'General case' 0 C--N 1.351 0.638 0 CA-C-O 117.795 -1.098 . . . . 0.0 109.238 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.4 -7.05 50.07 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 124.085 0.865 . . . . 0.0 112.806 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.1 14.72 31.06 Favored 'General case' 0 N--CA 1.506 2.326 0 C-N-CA 115.74 -2.384 . . . . 0.0 112.028 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.48 16.7 80.05 Favored Glycine 0 C--N 1.295 -1.699 0 O-C-N 120.202 -1.561 . . . . 0.0 116.069 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.16 137.87 34.6 Favored 'General case' 0 C--N 1.305 -1.337 0 N-CA-C 105.54 -2.022 . . . . 0.0 105.54 174.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 1.7 t -119.91 131.85 55.35 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 126.409 2.318 . . . . 0.0 106.199 176.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 15.1 mm -109.42 141.77 23.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 127.794 3.184 . . . . 0.0 109.104 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 23.4 m -101.15 139.86 36.25 Favored 'General case' 0 N--CA 1.498 1.933 0 C-N-CA 117.01 -1.876 . . . . 0.0 108.377 177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -126.51 154.06 44.31 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-O 115.6 -2.143 . . . . 0.0 108.352 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -111.77 121.16 44.33 Favored 'General case' 0 N--CA 1.495 1.821 1 O-C-N 129.16 4.038 . . . . 0.0 103.543 174.049 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.401 HG13 ' N ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -139.05 170.57 15.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.314 0 O-C-N 127.841 3.213 . . . . 0.0 111.246 -177.851 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.401 ' N ' HG13 ' B' ' 17' ' ' VAL . 3.5 mm-40 -120.01 144.62 37.99 Favored Pre-proline 0 C--N 1.312 -1.047 0 CA-C-N 112.158 -2.292 . . . . 0.0 106.328 174.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -54.95 -24.69 40.53 Favored 'Trans proline' 0 C--N 1.319 -1.02 0 C-N-CA 122.702 2.268 . . . . 0.0 111.523 177.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.76 -8.34 59.19 Favored 'General case' 0 C--O 1.242 0.686 0 O-C-N 121.154 -0.967 . . . . 0.0 110.99 -177.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.89 148.56 47.65 Favored 'General case' 0 N--CA 1.489 1.521 0 C-N-CA 117.302 -1.759 . . . . 0.0 109.803 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.1 p -84.0 160.52 21.0 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 175.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.506 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 42.2 mm -61.41 -36.77 75.19 Favored 'Isoleucine or valine' 0 C--O 1.24 0.56 0 O-C-N 126.899 2.624 . . . . 0.0 110.385 175.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -42.93 77.76 Favored 'General case' 0 C--O 1.252 1.226 0 O-C-N 120.405 -1.434 . . . . 0.0 110.966 176.263 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.34 -44.64 90.86 Favored 'General case' 0 C--O 1.25 1.107 0 C-N-CA 124.305 1.042 . . . . 0.0 111.442 -179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.53 -46.33 89.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.218 -1.356 . . . . 0.0 108.997 178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.549 ' O ' HG22 ' B' ' 30' ' ' ILE . 74.8 mttt -60.77 -37.96 83.65 Favored 'General case' 0 C--O 1.254 1.335 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.845 -179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.07 87.13 Favored 'General case' 0 C--O 1.278 2.602 0 O-C-N 123.495 0.497 . . . . 0.0 111.379 176.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 13.2 mttt -64.03 -37.41 87.33 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-O 122.959 1.361 . . . . 0.0 110.81 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.598 HG23 ' CG1' ' B' ' 36' ' ' ILE . 1.8 tp -69.75 -39.73 78.31 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -61.9 -48.87 78.54 Favored 'General case' 0 N--CA 1.499 2.001 0 CA-C-O 125.597 2.618 . . . . 0.0 109.038 179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.4 -41.84 66.38 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-N 113.687 -1.597 . . . . 0.0 111.821 179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 10.7 tttt -93.37 -24.35 18.12 Favored 'General case' 0 C--O 1.28 2.683 0 N-CA-C 117.184 2.29 . . . . 0.0 117.184 -175.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -123.64 -6.33 8.06 Favored 'General case' 0 C--N 1.305 -1.356 0 CA-C-N 122.959 2.618 . . . . 0.0 113.855 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.91 5.7 89.93 Favored Glycine 0 CA--C 1.476 -2.363 0 N-CA-C 118.708 2.243 . . . . 0.0 118.708 176.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.598 ' CG1' HG23 ' B' ' 30' ' ' ILE . 0.9 OUTLIER -79.88 125.07 82.84 Favored Pre-proline 0 C--O 1.241 0.641 0 C-N-CA 118.714 -1.194 . . . . 0.0 111.075 179.593 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 86.6 Cg_exo -57.27 137.14 80.32 Favored 'Trans proline' 0 C--O 1.255 1.333 0 C-N-CA 122.829 2.352 . . . . 0.0 110.844 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_exo -57.25 -32.31 93.27 Favored 'Trans proline' 0 C--O 1.261 1.65 0 O-C-N 123.046 1.024 . . . . 0.0 113.287 -179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -68.21 -15.58 63.63 Favored 'General case' 0 C--O 1.264 1.843 0 O-C-N 119.981 -1.699 . . . . 0.0 112.236 -177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.8 ' O ' HD23 ' B' ' 71' ' ' LEU . 0.2 OUTLIER -95.47 -10.54 29.52 Favored 'General case' 0 N--CA 1.481 1.081 0 O-C-N 120.557 -1.34 . . . . 0.0 112.324 178.367 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.491 ' OE1' HG21 ' B' ' 30' ' ' ILE . 15.6 tt0 -84.87 129.74 34.76 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 124.23 1.967 . . . . 0.0 115.791 -177.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.598 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 0.9 OUTLIER -121.24 115.99 24.04 Favored 'General case' 0 C--O 1.298 3.656 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.28 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 15.1 tp -103.51 130.27 50.86 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-N 119.563 1.074 . . . . 0.0 110.048 -177.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.704 HD12 ' N ' ' B' ' 45' ' ' PHE . 0.1 OUTLIER -122.02 131.65 72.69 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.731 0 O-C-N 125.112 1.507 . . . . 0.0 111.987 -177.509 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.704 ' N ' HD12 ' B' ' 44' ' ' ILE . 93.0 t80 -144.23 129.69 18.96 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 177.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.25 45.99 20.0 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 112.053 -2.339 . . . . 0.0 110.618 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.8 20.23 59.47 Favored Glycine 0 C--N 1.298 -1.554 0 C-N-CA 128.229 2.823 . . . . 0.0 117.379 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.4 mtp85 -109.89 143.78 39.31 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-O 115.344 -2.265 . . . . 0.0 111.0 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -87.12 130.31 34.57 Favored 'General case' 0 C--N 1.28 -2.456 0 N-CA-C 104.026 -2.583 . . . . 0.0 104.026 173.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -79.64 138.43 37.4 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 117.597 -1.192 . . . . 0.0 110.151 -175.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.97 140.06 36.77 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 125.209 1.568 . . . . 0.0 109.911 -177.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.506 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.1 p30 -48.37 -41.95 30.21 Favored 'General case' 0 C--O 1.263 1.812 0 N-CA-C 120.748 3.61 . . . . 0.0 120.748 -175.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.21 -8.58 85.18 Favored Glycine 0 N--CA 1.477 1.385 0 N-CA-C 115.976 1.151 . . . . 0.0 115.976 -177.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -85.57 165.31 17.17 Favored 'General case' 0 C--O 1.25 1.108 0 O-C-N 120.132 -1.805 . . . . 0.0 108.019 176.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 8.1 p -104.22 164.48 11.69 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 106.872 -1.529 . . . . 0.0 106.872 176.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.16 -36.28 79.38 Favored 'General case' 0 C--O 1.201 -1.478 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 177.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 1.8 p -63.68 -29.81 70.99 Favored 'General case' 0 C--O 1.268 2.031 0 C-N-CA 117.301 -1.76 . . . . 0.0 112.226 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.61 -39.01 70.21 Favored 'General case' 0 N--CA 1.484 1.251 0 CA-C-O 122.568 1.175 . . . . 0.0 110.843 179.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -91.18 4.58 51.88 Favored 'General case' 0 C--N 1.302 -1.466 0 CA-C-O 117.611 -1.185 . . . . 0.0 112.878 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.88 45.43 18.41 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-N 121.672 2.033 . . . . 0.0 111.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.702 HG22 HD11 ' B' ' 3' ' ' ILE . 6.9 mt -88.78 116.29 30.16 Favored 'Isoleucine or valine' 0 C--O 1.271 2.19 0 CA-C-O 115.019 -2.419 . . . . 0.0 106.273 175.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.31 169.56 8.48 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 126.128 2.143 . . . . 0.0 109.677 -176.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 142.98 28.01 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.093 1.425 . . . . 0.0 109.272 -176.638 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 67.05 19.04 10.56 Favored 'General case' 0 C--O 1.257 1.461 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.443 ' HB2' HD11 ' B' ' 3' ' ' ILE . 3.5 m -71.1 159.52 34.55 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 107.145 -1.428 . . . . 0.0 107.145 174.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 21.1 m -118.98 126.59 52.1 Favored 'General case' 0 C--N 1.308 -1.233 0 CA-C-O 118.236 -0.888 . . . . 0.0 108.809 175.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.1 154.62 19.1 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.666 -2.588 . . . . 0.0 105.794 174.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.513 ' O ' HG23 ' B' ' 44' ' ' ILE . 10.3 t60 -105.62 135.8 46.37 Favored 'General case' 0 C--N 1.283 -2.323 0 O-C-N 127.597 3.061 . . . . 0.0 105.643 178.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.425 ' C ' HD23 ' B' ' 69' ' ' LEU . 4.6 tt -107.1 115.68 30.6 Favored 'General case' 0 C--O 1.284 2.884 0 CA-C-O 117.589 -1.196 . . . . 0.0 111.433 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.562 ' HB ' HG21 ' A' ' 66' ' ' THR . 0.8 OUTLIER -108.04 139.9 28.47 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.793 0 N-CA-C 103.483 -2.784 . . . . 0.0 103.483 175.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 1.079 HD22 ' C ' ' B' ' 71' ' ' LEU . 0.1 OUTLIER -96.14 -83.41 0.37 Allowed 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.053 0.454 . . . . 0.0 109.849 178.382 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.603 ' N ' HD22 ' B' ' 71' ' ' LEU . 0.0 OUTLIER 67.7 -136.56 0.11 Allowed 'General case' 0 C--N 1.278 -2.534 0 CA-C-O 113.418 -3.182 . . . . 0.0 105.395 177.327 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -178.5 -164.02 0.07 Allowed 'General case' 0 C--N 1.295 -1.804 0 O-C-N 125.75 1.907 . . . . 0.0 109.675 -179.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -104.6 110.01 22.14 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 113.771 -1.559 . . . . 0.0 108.766 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -149.42 -117.76 0.89 Allowed Glycine 0 C--O 1.245 0.81 0 CA-C-N 114.807 -1.088 . . . . 0.0 115.16 -178.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.572 0 CA-C-O 116.53 -2.261 . . . . 0.0 108.289 179.025 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.511 -0.555 0 CA-C-O 121.964 0.888 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.32 85.89 0.09 Allowed 'General case' 0 C--N 1.29 -2.005 0 O-C-N 119.056 -2.278 . . . . 0.0 111.007 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.16 90.49 0.82 Allowed 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.805 2.042 . . . . 0.0 110.711 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -89.0 137.87 31.92 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.583 -178.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 25.1 mt -70.18 -39.65 75.12 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.66 0.743 . . . . 0.0 111.8 172.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 26.3 t -144.36 136.13 21.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.154 1.382 . . . . 0.0 107.375 -178.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -144.35 148.09 34.29 Favored 'General case' 0 CA--C 1.514 -0.412 0 C-N-CA 119.674 -0.81 . . . . 0.0 110.477 165.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 51.5 p90 -161.02 155.2 22.85 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.182 0.926 . . . . 0.0 111.238 173.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 11.5 mtt180 -72.3 127.88 33.91 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.181 -1.372 . . . . 0.0 112.309 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.23 147.65 6.66 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-N 115.109 -0.95 . . . . 0.0 110.111 179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.85 25.2 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 tttt -109.17 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 20.0 mtt -137.16 161.0 37.34 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 3.0 m -136.6 156.57 48.39 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.124 -1.43 . . . . 0.0 108.804 177.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.32 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.324 -1.911 . . . . 0.0 108.324 -169.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.56 18.45 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.374 -0.413 . . . . 0.0 109.969 178.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.96 122.62 48.27 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 1.4 p -76.2 120.06 25.5 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.233 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 174.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 68.8 p -124.09 119.37 26.53 Favored Pre-proline 0 C--O 1.244 0.815 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.141 -173.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -59.9 134.75 58.79 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-O 122.348 0.895 . . . . 0.0 111.855 173.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.7 132.2 34.19 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 172.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.03 -11.18 59.58 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -172.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.02 144.33 56.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -173.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 13.2 tptt -68.08 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 171.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . 0.461 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.31 171.29 21.55 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.266 1.481 . . . . 0.0 115.311 -179.055 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -128.46 124.4 36.09 Favored 'General case' 0 N--CA 1.422 -1.84 0 N-CA-C 106.248 -1.76 . . . . 0.0 106.248 175.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 77.3 t -90.97 137.54 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.517 -0.92 . . . . 0.0 108.517 164.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -151.88 157.8 42.35 Favored 'General case' 0 C--O 1.234 0.28 0 CA-C-O 121.973 0.892 . . . . 0.0 112.999 175.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 5.9 mt -118.83 131.03 72.8 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.559 -1.655 . . . . 0.0 108.351 174.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -133.97 137.66 44.95 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.431 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -100.2 122.08 42.46 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -84.04 171.15 13.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.296 177.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -71.66 -10.37 59.67 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 -170.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.64 7.35 14.99 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 121.264 -0.174 . . . . 0.0 110.994 170.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 14.7 t 73.84 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.45 1.5 . . . . 0.0 114.713 -177.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 73.6 mt -74.89 149.96 39.32 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.21 -0.996 . . . . 0.0 113.087 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.648 ' O ' HD12 ' C' ' 75' ' ' ILE . 3.6 mp -102.25 129.03 54.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.091 -0.959 . . . . 0.0 109.145 -177.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 28.0 m80 -117.54 125.29 50.57 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 -176.55 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -98.74 118.99 36.72 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 7.3 m -127.71 156.86 41.72 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -171.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . 0.504 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.48 128.26 40.88 Favored 'General case' 0 C--O 1.245 0.862 0 CA-C-N 113.505 -1.679 . . . . 0.0 108.723 169.314 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.63 134.32 55.29 Favored 'General case' 0 N--CA 1.442 -0.859 0 CA-C-N 114.134 -1.394 . . . . 0.0 109.782 -176.272 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -74.26 115.32 13.63 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.696 -1.224 . . . . 0.0 107.696 173.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 12.4 ttm-85 -64.06 -32.35 73.87 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 72.5 p -72.56 -46.15 55.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -175.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 48.4 t -91.45 -20.5 21.7 Favored 'General case' 0 C--O 1.217 -0.645 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.535 -176.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.67 2.6 60.97 Favored Glycine 0 CA--C 1.531 1.034 0 CA-C-O 119.685 -0.508 . . . . 0.0 113.671 -171.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -72.51 130.01 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.685 1.242 . . . . 0.0 113.173 178.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . 0.421 HG12 ' H ' ' C' ' 69' ' ' VAL . 0.7 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.444 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -94.54 -28.84 15.21 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.913 -171.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -122.0 135.57 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.903 0.859 . . . . 0.0 109.386 177.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.02 103.37 2.39 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.458 -2.423 . . . . 0.0 104.458 -178.248 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.06 123.24 45.15 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.253 -174.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 3.4 mp -75.87 124.3 33.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.434 1.112 . . . . 0.0 111.661 168.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.648 HD12 ' O ' ' C' ' 57' ' ' ILE . 0.3 OUTLIER -123.04 130.28 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.372 0 CA-C-N 114.581 -1.19 . . . . 0.0 109.613 -174.354 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 11.6 m-85 -101.2 158.91 30.89 Favored Pre-proline 0 C--O 1.241 0.652 0 O-C-N 124.45 1.093 . . . . 0.0 110.905 173.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.24 133.85 57.78 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.949 2.432 . . . . 0.0 111.327 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.81 5.89 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -175.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -70.37 -33.66 71.69 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.986 0.812 . . . . 0.0 109.56 176.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 168.12 27.98 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.441 -1.304 . . . . 0.0 113.601 -173.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.42 139.32 46.68 Favored 'General case' 0 N--CA 1.442 -0.854 0 CA-C-N 113.434 -1.712 . . . . 0.0 106.973 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -106.71 124.26 49.35 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -148.58 156.49 42.49 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -67.82 142.84 56.04 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.35 177.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . 0.629 ' HB ' HG23 ' C' ' 93' ' ' VAL . 4.4 t -94.32 98.33 2.89 Favored Pre-proline 0 C--N 1.322 -0.622 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 171.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 32.8 Cg_endo -60.92 -31.99 92.09 Favored 'Trans proline' 0 C--N 1.329 -0.451 0 N-CA-C 117.816 2.199 . . . . 0.0 117.816 -167.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -91.0 8.53 34.83 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.972 -1.491 . . . . 0.0 112.306 -164.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . 0.555 ' HB2' HG21 ' C' ' 93' ' ' VAL . 8.8 t -85.04 119.66 72.76 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 174.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -57.0 -19.85 34.29 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.403 -173.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 50.9 m -65.48 -34.64 78.76 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.501 0.591 . . . . 0.0 110.092 177.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.41 13.07 64.7 Favored Glycine 0 CA--C 1.505 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 111.569 -172.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 8.0 mtm180 -120.92 17.0 11.78 Favored 'General case' 0 CA--C 1.513 -0.474 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 -179.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . 0.629 HG23 ' HB ' ' C' ' 85' ' ' VAL . 3.1 m -97.08 133.48 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . 0.495 ' CE2' ' HB2' ' C' ' 109' ' ' MET . 1.0 OUTLIER -125.05 151.76 45.2 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 125.551 1.782 . . . . 0.0 110.402 178.647 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.4 p -127.04 135.43 63.65 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 2.1 tp -95.48 108.07 20.28 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 mttp -109.19 125.26 52.03 Favored 'General case' 0 CA--C 1.485 -1.525 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -171.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.4 ' CE1' ' HA3' ' A' ' 47' ' ' GLY . 98.8 m-85 -84.79 115.65 22.84 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.122 0.888 . . . . 0.0 109.262 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -63.39 -25.12 68.14 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.965 -1.016 . . . . 0.0 111.447 -169.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.29 115.19 28.9 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.582 -0.896 . . . . 0.0 108.582 173.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . 0.598 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.93 172.38 27.69 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.68 -0.968 . . . . 0.0 110.68 -172.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.45 9.15 33.02 Favored 'General case' 0 C--N 1.317 -0.843 0 O-C-N 122.04 -0.682 . . . . 0.0 110.562 179.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -70.76 129.21 38.51 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.876 -1.53 . . . . 0.0 110.593 -165.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.02 141.79 46.25 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.908 175.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 6.8 mt -124.54 126.21 45.46 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -100.91 143.62 30.84 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.306 -177.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 53.3 m-85 -137.04 156.75 48.03 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.525 -1.216 . . . . 0.0 109.297 178.686 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 16.5 p-90 -131.5 126.63 35.45 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.372 175.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . 0.495 ' HB2' ' CE2' ' C' ' 94' ' ' TYR . 54.3 tpp -62.73 137.75 58.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.257 -174.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -118.86 4.05 11.52 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.593 -1.185 . . . . 0.0 110.256 179.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -61.33 135.92 93.92 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.099 1.428 . . . . 0.0 108.623 172.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -61.25 -41.43 42.37 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 146.93 24.22 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-O 121.115 0.484 . . . . 0.0 110.532 173.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 12.3 t -83.47 -9.26 59.1 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.187 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.18 5.73 37.91 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -174.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 20.6 p-10 -56.85 -48.78 77.28 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.939 -1.104 . . . . 0.0 110.352 -177.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.8 -32.21 70.55 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.313 -0.955 . . . . 0.0 110.593 -173.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -67.35 -43.99 80.13 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.891 0.377 . . . . 0.0 110.899 175.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -55.62 -45.87 77.45 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.985 -1.072 . . . . 0.0 112.322 173.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 36.3 t -60.58 -43.08 97.73 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.676 0.751 . . . . 0.0 110.333 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -61.9 -43.48 98.75 Favored 'General case' 0 C--O 1.242 0.663 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.128 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.24 -42.27 96.6 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 29.6 t -52.37 -51.87 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 120.11 -0.636 . . . . 0.0 110.408 175.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . 0.52 ' HA ' HD23 ' C' ' 128' ' ' LEU . 17.7 m-20 -60.31 -39.51 87.27 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.34 -46.01 81.92 Favored 'General case' 0 CA--C 1.514 -0.404 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.429 -178.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -78.97 -24.49 43.8 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 119.502 -0.879 . . . . 0.0 112.412 -174.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.52 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.03 -36.13 41.56 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.78 -0.768 . . . . 0.0 112.245 174.519 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . 0.475 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 19.7 t-20 -110.74 -11.04 14.44 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -168.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -141.26 71.88 26.96 Favored Pre-proline 0 N--CA 1.467 0.413 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 169.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 89.1 Cg_endo -79.34 171.48 15.99 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.63 1.553 . . . . 0.0 111.577 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 87.4 Cg_exo . . . . . 0 C--N 1.292 -2.446 0 C-N-CA 122.51 2.14 . . . . 0.0 111.576 179.709 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.929 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.17 138.21 31.77 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 126.823 2.577 . . . . 0.0 108.882 178.285 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.4 HD11 HD12 ' A' ' 15' ' ' LEU . 2.4 pp -131.27 163.08 38.06 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.362 0 N-CA-C 105.577 -2.009 . . . . 0.0 105.577 173.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.93 140.26 49.42 Favored 'General case' 0 N--CA 1.513 2.721 1 O-C-N 130.514 4.883 . . . . 0.0 108.774 179.672 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 46.8 t -118.09 114.18 44.44 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 CA-C-O 113.397 -3.192 . . . . 0.0 105.634 175.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.23 127.53 41.35 Favored 'General case' 0 N--CA 1.505 2.306 1 O-C-N 129.304 4.128 . . . . 0.0 107.892 -178.081 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 33.5 p -99.66 170.79 8.33 Favored 'General case' 0 C--N 1.354 0.8 0 CA-C-O 117.896 -1.049 . . . . 0.0 109.324 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.5 mt -73.31 -7.04 49.89 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 124.104 0.878 . . . . 0.0 112.697 -177.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -101.51 14.95 30.4 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.686 -2.406 . . . . 0.0 112.04 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 16.8 80.03 Favored Glycine 0 C--N 1.298 -1.56 0 O-C-N 120.158 -1.588 . . . . 0.0 115.972 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.5 138.1 34.58 Favored 'General case' 0 C--N 1.31 -1.121 0 N-CA-C 105.254 -2.128 . . . . 0.0 105.254 174.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.3 p -119.95 131.69 55.27 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 126.683 2.489 . . . . 0.0 105.916 176.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -109.59 142.01 23.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 127.639 3.087 . . . . 0.0 108.831 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.1 t -101.47 139.67 36.8 Favored 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 117.142 -1.823 . . . . 0.0 108.098 178.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD12 HD11 ' A' ' 3' ' ' ILE . 14.1 mt -126.38 154.08 44.06 Favored 'General case' 0 N--CA 1.446 -0.633 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.327 -179.308 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -111.83 121.0 43.87 Favored 'General case' 0 N--CA 1.5 2.059 1 O-C-N 129.287 4.117 . . . . 0.0 103.627 173.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 3.2 m -138.92 170.64 15.96 Favored 'Isoleucine or valine' 0 C--O 1.254 1.33 0 O-C-N 127.558 3.036 . . . . 0.0 111.22 -177.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.04 144.49 37.75 Favored Pre-proline 0 C--N 1.314 -0.939 0 CA-C-N 112.338 -2.21 . . . . 0.0 106.335 174.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_exo -54.83 -24.51 38.81 Favored 'Trans proline' 0 C--N 1.322 -0.848 0 C-N-CA 122.537 2.158 . . . . 0.0 111.987 177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 4.3 p -79.91 -8.17 59.17 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.962 -177.574 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -70.99 148.42 47.67 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 117.497 -1.681 . . . . 0.0 109.814 -179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.76 160.5 21.24 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.252 -1.018 . . . . 0.0 108.252 175.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 16.1 mm -61.47 -37.05 76.88 Favored 'Isoleucine or valine' 0 C--O 1.245 0.847 0 O-C-N 127.168 2.792 . . . . 0.0 110.235 175.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -57.57 -40.16 78.36 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.344 -0.847 . . . . 0.0 110.753 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.28 -41.98 80.22 Favored 'General case' 0 C--O 1.262 1.724 0 O-C-N 121.857 -0.527 . . . . 0.0 110.948 -178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 47.6 t -58.15 -46.46 88.41 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 O-C-N 124.453 1.096 . . . . 0.0 109.167 178.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mttt -60.92 -37.81 83.6 Favored 'General case' 0 C--O 1.258 1.543 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.717 -179.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -38.01 86.65 Favored 'General case' 0 C--O 1.276 2.485 0 CA-C-N 118.132 0.424 . . . . 0.0 111.099 176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.11 -37.52 87.74 Favored 'General case' 0 C--O 1.254 1.333 0 CA-C-O 123.074 1.416 . . . . 0.0 110.712 176.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 81.4 mt -69.94 -39.53 77.63 Favored 'Isoleucine or valine' 0 C--O 1.251 1.176 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -62.22 -48.71 78.79 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 125.574 2.607 . . . . 0.0 109.118 179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -53.26 -41.72 65.78 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 113.378 -1.737 . . . . 0.0 111.949 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 3.4 tptm -93.59 -24.22 18.01 Favored 'General case' 0 C--O 1.281 2.755 0 N-CA-C 117.216 2.302 . . . . 0.0 117.216 -175.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -123.48 -6.44 8.14 Favored 'General case' 0 C--N 1.304 -1.372 0 CA-C-N 123.132 2.696 . . . . 0.0 114.173 179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.66 89.99 Favored Glycine 0 CA--C 1.478 -2.254 0 N-CA-C 118.855 2.302 . . . . 0.0 118.855 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.474 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.1 mt -79.79 124.77 83.24 Favored Pre-proline 0 C--O 1.244 0.786 0 C-N-CA 118.841 -1.144 . . . . 0.0 110.972 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 84.0 Cg_exo -56.91 136.81 78.73 Favored 'Trans proline' 0 C--O 1.259 1.541 0 C-N-CA 123.305 2.67 . . . . 0.0 110.825 178.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.3 Cg_exo -57.1 -32.04 92.12 Favored 'Trans proline' 0 C--O 1.264 1.795 0 O-C-N 122.984 0.992 . . . . 0.0 113.568 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -68.49 -15.37 63.52 Favored 'General case' 0 C--O 1.261 1.669 0 O-C-N 119.87 -1.769 . . . . 0.0 112.169 -177.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -95.95 -10.25 29.15 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 120.596 -1.315 . . . . 0.0 112.054 178.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -84.99 129.69 34.75 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 124.425 2.059 . . . . 0.0 115.669 -177.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 116.04 24.28 Favored 'General case' 0 C--O 1.299 3.683 0 N-CA-C 105.012 -2.218 . . . . 0.0 105.012 171.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 22.1 mt -103.59 130.22 50.98 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 119.597 1.09 . . . . 0.0 109.889 -177.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.661 HD12 ' OD1' ' C' ' 79' ' ' ASP . 0.1 OUTLIER -122.03 131.86 72.22 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.839 0 O-C-N 125.066 1.479 . . . . 0.0 111.923 -177.558 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -144.41 129.57 18.65 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 105.408 -2.071 . . . . 0.0 105.408 177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.21 46.06 19.88 Favored 'General case' 0 C--N 1.31 -1.133 0 CA-C-N 112.257 -2.247 . . . . 0.0 110.735 177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.71 21.65 60.95 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.564 2.983 . . . . 0.0 117.481 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -114.96 142.82 46.09 Favored 'General case' 0 C--N 1.307 -1.265 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 177.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -85.93 130.25 34.6 Favored 'General case' 0 C--O 1.257 1.479 0 N-CA-C 103.707 -2.701 . . . . 0.0 103.707 174.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 35.4 mt -79.44 137.99 37.44 Favored 'General case' 0 C--N 1.313 -1.005 0 CA-C-O 117.742 -1.123 . . . . 0.0 110.206 -176.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -101.7 140.03 36.54 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.058 1.474 . . . . 0.0 110.02 -177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -47.9 -42.42 26.91 Favored 'General case' 0 C--O 1.264 1.831 0 N-CA-C 120.779 3.622 . . . . 0.0 120.779 -175.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.78 -8.91 85.29 Favored Glycine 0 CA--C 1.49 -1.481 0 N-CA-C 116.12 1.208 . . . . 0.0 116.12 -177.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.5 mtt85 -85.46 165.34 17.24 Favored 'General case' 0 C--O 1.249 1.071 0 O-C-N 119.775 -2.015 . . . . 0.0 107.96 176.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 2.1 p -104.45 164.81 11.48 Favored 'General case' 0 C--N 1.309 -1.19 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 176.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mp -61.54 -36.04 79.46 Favored 'General case' 0 C--O 1.203 -1.383 0 N-CA-C 108.093 -1.077 . . . . 0.0 108.093 177.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.16 -29.4 70.52 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 117.253 -1.779 . . . . 0.0 112.231 -179.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.51 -39.57 70.68 Favored 'General case' 0 N--CA 1.487 1.378 0 CA-C-O 122.46 1.124 . . . . 0.0 110.716 179.526 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -90.78 4.59 51.23 Favored 'General case' 0 C--N 1.3 -1.564 0 CA-C-O 117.619 -1.182 . . . . 0.0 112.969 179.203 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 58.1 45.23 18.02 Favored 'General case' 0 N--CA 1.481 1.078 0 CA-C-N 121.559 1.981 . . . . 0.0 111.188 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.8 mt -88.69 116.57 30.59 Favored 'Isoleucine or valine' 0 C--O 1.266 1.944 0 CA-C-O 115.115 -2.374 . . . . 0.0 106.192 175.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.524 ' CB ' HD12 ' B' ' 73' ' ' LEU . 3.2 mt-30 -103.63 169.71 8.37 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 126.151 2.157 . . . . 0.0 109.326 -176.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -54.86 142.95 27.46 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-O 123.262 1.506 . . . . 0.0 109.045 -176.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 67.01 19.13 10.59 Favored 'General case' 0 C--O 1.255 1.379 0 N-CA-C 117.976 2.584 . . . . 0.0 117.976 179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.15 159.5 34.57 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 107.314 -1.365 . . . . 0.0 107.314 174.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.1 126.79 52.47 Favored 'General case' 0 C--N 1.306 -1.289 0 CA-C-O 118.19 -0.91 . . . . 0.0 108.814 175.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.8 mp -103.18 154.56 19.19 Favored 'General case' 0 CA--C 1.545 0.767 0 CA-C-O 114.685 -2.579 . . . . 0.0 105.583 175.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.412 ' O ' HG23 ' A' ' 44' ' ' ILE . 2.6 t-80 -105.63 135.66 46.62 Favored 'General case' 0 C--N 1.286 -2.165 0 O-C-N 127.474 2.984 . . . . 0.0 105.817 177.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tt -106.89 115.81 30.83 Favored 'General case' 0 C--O 1.286 2.978 0 CA-C-O 117.611 -1.185 . . . . 0.0 111.478 176.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 18.0 t -107.99 139.96 28.17 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.893 0 N-CA-C 103.595 -2.743 . . . . 0.0 103.595 174.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.2 138.93 33.09 Favored 'General case' 0 N--CA 1.481 1.091 0 CA-C-O 121.342 0.591 . . . . 0.0 109.735 178.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -76.14 155.83 34.29 Favored 'General case' 0 C--N 1.279 -2.496 0 CA-C-O 113.171 -3.299 . . . . 0.0 105.601 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.3 mt -102.98 144.59 31.07 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 125.87 1.981 . . . . 0.0 109.551 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 123.91 51.16 Favored 'General case' 0 C--O 1.245 0.867 0 CA-C-N 113.582 -1.645 . . . . 0.0 108.882 -179.495 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 61.88 126.54 0.01 OUTLIER Glycine 0 C--O 1.246 0.854 0 CA-C-N 114.579 -1.191 . . . . 0.0 115.097 -179.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.549 0 N-CA-C 108.286 -1.926 . . . . 0.0 108.286 179.522 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 22.7 mmt . . . . . 0 CA--C 1.549 0.931 0 N-CA-C 107.303 -1.369 . . . . 0.0 107.303 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -90.9 138.43 31.6 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 127.154 2.784 . . . . 0.0 108.837 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pt -131.13 163.08 37.98 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-O 115.85 -2.024 . . . . 0.0 105.907 173.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 1.318 ' HD1' ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -115.99 140.17 49.53 Favored 'General case' 0 N--CA 1.515 2.788 1 O-C-N 130.521 4.888 . . . . 0.0 108.593 179.75 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.476 ' N ' ' CD1' ' B' ' 4' ' ' PHE . 38.4 t -117.96 114.05 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 CA-C-O 113.43 -3.176 . . . . 0.0 105.755 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.875 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.06 127.62 41.26 Favored 'General case' 0 N--CA 1.502 2.161 1 O-C-N 129.193 4.058 . . . . 0.0 108.164 -178.135 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.54 170.73 8.39 Favored 'General case' 0 C--N 1.352 0.705 0 CA-C-O 117.708 -1.139 . . . . 0.0 109.372 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 4.2 pp -73.29 -6.99 49.61 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 124.101 0.876 . . . . 0.0 112.937 -178.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.19 14.8 30.83 Favored 'General case' 0 N--CA 1.506 2.338 0 C-N-CA 115.637 -2.425 . . . . 0.0 111.988 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.46 16.6 80.17 Favored Glycine 0 C--N 1.296 -1.687 0 O-C-N 120.351 -1.468 . . . . 0.0 116.074 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -96.14 137.93 34.49 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 105.566 -2.013 . . . . 0.0 105.566 174.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.9 131.9 55.38 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 126.39 2.306 . . . . 0.0 106.206 176.118 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -109.53 141.82 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 127.771 3.17 . . . . 0.0 109.05 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 20.0 p -101.17 139.94 36.16 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 116.939 -1.904 . . . . 0.0 108.392 177.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -126.58 154.02 44.48 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 115.515 -2.183 . . . . 0.0 108.356 -179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.78 121.12 44.22 Favored 'General case' 0 N--CA 1.496 1.825 1 O-C-N 129.212 4.07 . . . . 0.0 103.536 174.064 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -139.07 170.55 15.94 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 O-C-N 127.769 3.168 . . . . 0.0 111.219 -177.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -119.99 144.58 37.87 Favored Pre-proline 0 C--N 1.312 -1.049 0 CA-C-N 112.093 -2.321 . . . . 0.0 106.315 174.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -54.93 -24.67 40.24 Favored 'Trans proline' 0 C--N 1.318 -1.059 0 C-N-CA 122.563 2.175 . . . . 0.0 111.505 177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 41.6 t -79.87 -8.24 59.18 Favored 'General case' 0 C--O 1.242 0.711 0 O-C-N 121.139 -0.975 . . . . 0.0 110.935 -177.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -70.98 148.49 47.61 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 117.409 -1.716 . . . . 0.0 109.737 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.673 ' O ' HG13 ' B' ' 26' ' ' VAL . 2.6 p -83.92 160.5 21.08 Favored 'General case' 0 CA--C 1.546 0.796 0 N-CA-C 108.21 -1.033 . . . . 0.0 108.21 175.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.664 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.4 mp -61.43 -36.73 75.0 Favored 'Isoleucine or valine' 0 C--O 1.24 0.576 0 O-C-N 126.853 2.596 . . . . 0.0 110.41 175.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.798 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.1 mt-10 -56.22 -42.89 77.96 Favored 'General case' 0 C--O 1.253 1.268 0 O-C-N 120.481 -1.387 . . . . 0.0 110.952 176.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -64.38 -44.64 90.73 Favored 'General case' 0 C--O 1.249 1.057 0 C-N-CA 124.237 1.015 . . . . 0.0 111.433 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.673 HG13 ' O ' ' B' ' 22' ' ' THR . 0.9 OUTLIER -58.51 -46.39 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 114.282 -1.326 . . . . 0.0 108.893 179.004 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.415 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 31.4 mtmt -60.66 -38.12 83.83 Favored 'General case' 0 C--O 1.255 1.374 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.816 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.21 -37.98 86.86 Favored 'General case' 0 C--O 1.278 2.568 0 O-C-N 123.471 0.482 . . . . 0.0 111.391 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -63.93 -37.54 87.78 Favored 'General case' 0 C--O 1.253 1.246 0 O-C-N 120.45 -1.407 . . . . 0.0 110.816 175.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 28.4 mt -69.69 -39.74 78.46 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 N-CA-C 106.814 -1.55 . . . . 0.0 106.814 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -61.95 -48.85 78.52 Favored 'General case' 0 N--CA 1.497 1.921 0 CA-C-O 125.572 2.605 . . . . 0.0 108.995 179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.32 -41.81 66.07 Favored 'General case' 0 C--O 1.256 1.413 0 CA-C-N 113.566 -1.652 . . . . 0.0 111.906 179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.327 1.7 mttt -93.31 -24.46 18.12 Favored 'General case' 0 C--O 1.28 2.709 0 N-CA-C 117.213 2.301 . . . . 0.0 117.213 -175.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -123.68 -6.33 8.04 Favored 'General case' 0 C--N 1.305 -1.359 0 CA-C-N 122.933 2.606 . . . . 0.0 113.767 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.99 5.67 89.99 Favored Glycine 0 CA--C 1.475 -2.409 0 N-CA-C 118.782 2.273 . . . . 0.0 118.782 176.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.476 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 62.7 mt -79.95 125.03 82.79 Favored Pre-proline 0 C--O 1.241 0.632 0 C-N-CA 118.759 -1.176 . . . . 0.0 111.022 179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 84.6 Cg_exo -57.17 137.03 79.97 Favored 'Trans proline' 0 C--O 1.256 1.402 0 C-N-CA 122.93 2.42 . . . . 0.0 110.876 178.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.4 Cg_exo -57.22 -32.27 93.06 Favored 'Trans proline' 0 C--O 1.26 1.609 0 O-C-N 123.044 1.023 . . . . 0.0 113.342 -179.155 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.24 -15.57 63.63 Favored 'General case' 0 C--O 1.264 1.855 0 O-C-N 120.089 -1.632 . . . . 0.0 112.281 -177.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.826 ' HB3' HD11 ' B' ' 71' ' ' LEU . 16.2 mm100 -95.44 -10.62 29.38 Favored 'General case' 0 N--CA 1.481 1.107 0 O-C-N 120.505 -1.372 . . . . 0.0 112.252 178.358 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 19.2 mt-30 -84.91 129.61 34.78 Favored 'General case' 0 C--N 1.313 -0.987 0 CA-C-O 124.287 1.994 . . . . 0.0 115.7 -177.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 1.6 tpp180 -121.14 116.09 24.31 Favored 'General case' 0 C--O 1.298 3.634 0 N-CA-C 104.798 -2.297 . . . . 0.0 104.798 172.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.464 HD13 ' HB2' ' B' ' 50' ' ' LEU . 0.0 OUTLIER -103.5 130.32 50.85 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.487 1.039 . . . . 0.0 109.975 -177.609 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.606 HD11 ' O ' ' C' ' 99' ' ' LYS . 1.6 mt -121.99 131.62 72.74 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.695 0 O-C-N 125.075 1.484 . . . . 0.0 112.07 -177.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -144.27 129.88 19.1 Favored 'General case' 0 C--N 1.358 0.959 0 N-CA-C 105.251 -2.129 . . . . 0.0 105.251 177.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.12 45.9 19.6 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 111.889 -2.414 . . . . 0.0 110.71 177.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.93 20.24 59.78 Favored Glycine 0 C--N 1.298 -1.533 0 C-N-CA 128.159 2.79 . . . . 0.0 117.274 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 3.2 mtp85 -109.93 143.76 39.4 Favored 'General case' 0 C--N 1.303 -1.413 0 CA-C-O 115.329 -2.272 . . . . 0.0 110.953 174.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.423 ' O ' ' HG2' ' B' ' 49' ' ' GLN . 3.3 pm0 -87.07 130.46 34.48 Favored 'General case' 0 C--N 1.28 -2.451 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 173.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.464 ' HB2' HD13 ' B' ' 43' ' ' LEU . 15.6 mt -79.7 138.4 37.33 Favored 'General case' 0 C--N 1.311 -1.102 0 CA-C-O 117.631 -1.176 . . . . 0.0 110.055 -175.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.664 ' O ' HD13 ' B' ' 23' ' ' ILE . 1.3 tm-20 -101.9 139.93 36.87 Favored 'General case' 0 N--CA 1.478 0.965 0 O-C-N 125.211 1.569 . . . . 0.0 109.976 -177.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.798 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.7 OUTLIER -48.19 -42.01 28.69 Favored 'General case' 0 C--O 1.262 1.711 0 N-CA-C 120.813 3.634 . . . . 0.0 120.813 -175.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.32 -8.42 85.23 Favored Glycine 0 N--CA 1.476 1.337 0 N-CA-C 115.989 1.155 . . . . 0.0 115.989 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.578 ' O ' HD12 ' B' ' 23' ' ' ILE . 3.6 mmt85 -85.64 165.38 17.05 Favored 'General case' 0 C--O 1.25 1.098 0 O-C-N 120.13 -1.806 . . . . 0.0 107.998 176.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 10.2 p -104.42 164.49 11.7 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 106.777 -1.564 . . . . 0.0 106.777 177.061 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.439 HD23 HG21 ' B' ' 61' ' ' ILE . 0.4 OUTLIER -61.06 -36.35 79.37 Favored 'General case' 0 C--O 1.199 -1.554 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 177.247 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 51.5 p -63.61 -29.89 71.07 Favored 'General case' 0 C--O 1.266 1.95 0 C-N-CA 117.324 -1.75 . . . . 0.0 112.243 -179.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.64 -39.07 70.38 Favored 'General case' 0 N--CA 1.485 1.294 0 CA-C-O 122.506 1.146 . . . . 0.0 110.747 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 -91.04 4.4 52.2 Favored 'General case' 0 C--N 1.302 -1.472 0 CA-C-O 117.553 -1.213 . . . . 0.0 112.887 179.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 58.02 45.4 18.0 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 121.695 2.043 . . . . 0.0 111.242 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.439 HG21 HD23 ' B' ' 56' ' ' LEU . 74.3 mt -88.79 116.22 30.05 Favored 'Isoleucine or valine' 0 C--O 1.27 2.15 0 CA-C-O 115.045 -2.407 . . . . 0.0 106.273 175.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 47.1 mm-40 -103.33 169.57 8.47 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 126.088 2.117 . . . . 0.0 109.703 -176.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.81 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 123.236 1.493 . . . . 0.0 109.26 -176.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.1 18.96 10.5 Favored 'General case' 0 C--O 1.255 1.359 0 N-CA-C 117.857 2.54 . . . . 0.0 117.857 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.9 m -71.06 159.55 34.52 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.604 ' OG1' ' CE1' ' B' ' 4' ' ' PHE . 0.6 OUTLIER -119.03 126.62 52.13 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 118.263 -0.875 . . . . 0.0 108.833 175.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.478 ' O ' ' HE1' ' B' ' 4' ' ' PHE . 10.1 mp -103.17 154.63 19.11 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-O 114.654 -2.593 . . . . 0.0 105.732 175.052 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.432 ' NE2' HG22 ' B' ' 70' ' ' VAL . 2.2 t60 -105.67 135.76 46.5 Favored 'General case' 0 C--N 1.282 -2.347 0 O-C-N 127.608 3.068 . . . . 0.0 105.71 177.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.07 115.81 30.83 Favored 'General case' 0 C--O 1.283 2.828 0 CA-C-O 117.617 -1.183 . . . . 0.0 111.491 176.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.432 HG22 ' NE2' ' B' ' 68' ' ' HIS . 91.2 t -108.15 139.91 28.59 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.773 0 N-CA-C 103.495 -2.779 . . . . 0.0 103.495 175.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.826 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.37 0.37 Allowed 'General case' 0 N--CA 1.479 0.979 0 CA-C-O 121.119 0.485 . . . . 0.0 109.836 178.499 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.631 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER 144.53 155.39 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.574 0 CA-C-O 113.324 -3.227 . . . . 0.0 105.555 -179.682 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.524 HD12 ' CB ' ' A' ' 62' ' ' GLN . 0.2 OUTLIER -129.62 -37.84 1.55 Allowed 'General case' 0 C--N 1.293 -1.878 0 O-C-N 125.797 1.935 . . . . 0.0 109.71 179.473 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 172.65 179.31 0.08 Allowed 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 113.82 -1.536 . . . . 0.0 108.673 -179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -169.31 121.32 0.93 Allowed Glycine 0 C--O 1.246 0.888 0 CA-C-N 114.759 -1.11 . . . . 0.0 115.161 -178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.461 0 CA-C-O 116.557 -2.246 . . . . 0.0 108.284 179.188 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.51 -0.559 0 CA-C-O 121.915 0.864 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -165.46 49.12 0.09 Allowed 'General case' 0 C--N 1.29 -2.002 0 O-C-N 119.06 -2.275 . . . . 0.0 111.109 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -113.04 58.63 0.65 Allowed 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 126.828 2.051 . . . . 0.0 110.648 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 19.4 m-30 -89.09 137.86 31.94 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.552 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.499 HD12 ' CE2' ' C' ' 127' ' ' TYR . 2.9 mm? -70.2 -39.56 75.1 Favored 'General case' 0 C--O 1.238 0.498 0 CA-C-O 121.614 0.721 . . . . 0.0 111.881 172.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.4 136.14 21.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.146 -1.388 . . . . 0.0 107.423 -178.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -144.31 148.07 34.32 Favored 'General case' 0 CA--C 1.515 -0.383 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.512 165.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -161.08 155.22 22.77 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.245 0.966 . . . . 0.0 111.213 173.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -72.2 127.8 33.68 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.33 178.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.742 ' HB3' ' CG1' ' C' ' 47' ' ' VAL . . . -166.2 147.69 6.71 Favored 'General case' 0 C--O 1.251 1.135 0 CA-C-O 122.067 0.936 . . . . 0.0 110.045 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.95 164.83 25.19 Favored Glycine 0 N--CA 1.445 -0.722 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 175.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.13 -179.17 3.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 14.0 mtt -137.17 161.03 37.28 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 2.4 m -136.59 156.53 48.44 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.146 -1.422 . . . . 0.0 108.765 177.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -92.75 116.14 28.75 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.28 -116.09 8.67 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.0 m -113.91 14.46 18.52 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.332 -0.434 . . . . 0.0 109.944 178.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 43.7 p -111.96 122.49 47.92 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.42 0.526 . . . . 0.0 112.42 -172.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.468 ' O ' HG13 ' C' ' 38' ' ' VAL . 7.4 p -76.13 120.02 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 17.9 m -124.05 119.38 26.58 Favored Pre-proline 0 C--O 1.244 0.815 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.141 -173.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.99 134.85 59.05 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 117.879 -0.948 . . . . 0.0 111.872 173.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -85.62 132.13 34.22 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 105.341 -2.096 . . . . 0.0 105.341 172.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.91 -11.29 59.6 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.339 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -67.0 144.37 56.24 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -173.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.13 125.57 26.77 Favored 'General case' 0 N--CA 1.442 -0.871 0 N-CA-C 108.218 -1.031 . . . . 0.0 108.218 171.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.17 21.6 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.338 -179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -128.34 124.35 36.23 Favored 'General case' 0 N--CA 1.422 -1.841 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 175.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . 0.742 ' CG1' ' HB3' ' C' ' 28' ' ' ALA . 0.6 OUTLIER -90.94 137.52 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 164.639 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -151.97 157.78 42.22 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 122.067 0.937 . . . . 0.0 112.951 175.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 82.2 mt -118.79 131.06 72.66 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 113.455 -1.702 . . . . 0.0 108.417 174.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 11.5 tt0 -134.02 137.69 44.89 Favored 'General case' 0 CA--C 1.495 -1.171 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -178.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 pp0? -100.21 122.13 42.53 Favored 'General case' 0 C--O 1.236 0.381 0 N-CA-C 108.134 -1.061 . . . . 0.0 108.134 170.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 9.0 t -84.09 171.18 13.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.204 0.526 . . . . 0.0 111.276 177.637 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -71.56 -10.46 59.81 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -170.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.7 7.4 15.0 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.255 -0.178 . . . . 0.0 110.99 171.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 73.91 -1.32 3.1 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.419 1.488 . . . . 0.0 114.647 -177.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 35.0 mt -74.95 149.97 39.2 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 119.197 -1.001 . . . . 0.0 113.007 179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 2.5 mp -102.18 129.09 54.13 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.147 -177.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 19.1 m80 -117.61 125.26 50.44 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 -176.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . 0.502 ' CE1' HG13 ' C' ' 124' ' ' VAL . 0.2 OUTLIER -98.72 119.0 36.72 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.194 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 60.3 m -127.74 156.83 41.81 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.504 0.927 . . . . 0.0 113.504 -171.232 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . 0.652 ' NE1' HG12 ' C' ' 47' ' ' VAL . 1.9 m-90 -130.36 128.25 41.05 Favored 'General case' 0 C--O 1.244 0.802 0 CA-C-N 113.5 -1.682 . . . . 0.0 108.778 169.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -120.66 134.42 55.28 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.749 -176.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -74.32 115.35 13.74 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.672 -1.233 . . . . 0.0 107.672 173.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.98 -32.47 74.02 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 114.613 1.338 . . . . 0.0 114.613 -176.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 76.6 p -72.51 -46.11 56.2 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -175.011 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.41 -20.58 21.64 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.54 -176.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.65 2.66 61.03 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-O 119.63 -0.539 . . . . 0.0 113.686 -171.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -72.44 130.0 39.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.718 1.259 . . . . 0.0 113.195 178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . 0.404 HG22 ' H ' ' C' ' 69' ' ' VAL . 1.0 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -94.54 -28.83 15.21 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.931 -171.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -121.99 135.55 54.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.838 0.828 . . . . 0.0 109.415 177.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -155.01 103.32 2.39 Favored 'General case' 0 CA--C 1.5 -0.959 0 N-CA-C 104.445 -2.428 . . . . 0.0 104.445 -178.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.03 123.25 45.22 Favored 'General case' 0 N--CA 1.435 -1.204 0 CA-C-N 114.385 -1.28 . . . . 0.0 109.347 -174.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 6.7 mt -75.83 124.23 33.46 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.456 1.122 . . . . 0.0 111.684 168.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 46.0 mm -122.98 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.43 0 CA-C-N 114.561 -1.2 . . . . 0.0 109.613 -174.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -101.24 158.95 30.81 Favored Pre-proline 0 C--O 1.242 0.671 0 O-C-N 124.338 1.024 . . . . 0.0 110.888 173.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -54.35 133.86 58.22 Favored 'Trans proline' 0 CA--C 1.531 0.344 0 C-N-CA 122.9 2.4 . . . . 0.0 111.353 -179.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.6 6.79 5.89 Favored 'General case' 0 C--O 1.209 -1.04 0 N-CA-C 116.639 2.089 . . . . 0.0 116.639 -175.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . 0.694 ' O ' ' HD2' ' C' ' 98' ' ' PHE . 3.4 m-20 -70.34 -33.67 71.76 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.032 0.833 . . . . 0.0 109.58 176.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 18.0 p -154.94 168.16 27.9 Favored 'General case' 0 C--N 1.318 -0.762 0 C-N-CA 118.424 -1.31 . . . . 0.0 113.612 -173.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -133.37 139.34 46.75 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.494 -1.684 . . . . 0.0 106.998 -178.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.462 ' CE2' ' HB3' ' C' ' 94' ' ' TYR . 4.9 t80 -106.8 124.25 49.34 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 13.9 mttp -148.54 156.47 42.48 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 2.8 ttm180 -67.83 142.81 56.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-N 114.991 -1.004 . . . . 0.0 108.392 177.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 79.3 t -94.15 98.3 2.79 Favored Pre-proline 0 C--N 1.321 -0.661 0 N-CA-C 106.225 -1.768 . . . . 0.0 106.225 171.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.06 -31.92 91.34 Favored 'Trans proline' 0 C--N 1.328 -0.547 0 N-CA-C 117.717 2.16 . . . . 0.0 117.717 -167.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -91.05 8.51 35.08 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.968 -1.493 . . . . 0.0 112.217 -164.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -85.08 119.73 72.79 Favored Pre-proline 0 CA--C 1.514 -0.413 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_endo -57.0 -19.86 34.36 Favored 'Trans proline' 0 C--N 1.347 0.484 0 O-C-N 122.929 0.963 . . . . 0.0 114.43 -173.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -65.51 -34.66 78.78 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.437 0.562 . . . . 0.0 110.069 177.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.52 13.04 64.94 Favored Glycine 0 CA--C 1.506 -0.491 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.546 -172.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -120.97 17.1 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.296 1.962 . . . . 0.0 116.296 -179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 73.3 t -96.98 133.39 38.66 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 109.624 -0.51 . . . . 0.0 109.624 173.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . 0.462 ' HB3' ' CE2' ' C' ' 82' ' ' PHE . 32.4 m-85 -125.02 151.74 45.19 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.479 1.737 . . . . 0.0 110.449 178.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 8.3 p -126.99 135.37 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -95.44 108.18 20.38 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.814 -2.291 . . . . 0.0 104.814 169.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 10.9 ttpt -109.31 125.12 51.98 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -171.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.704 ' CD1' ' O ' ' C' ' 100' ' ' ALA . 9.1 t80 -84.71 115.64 22.8 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.141 0.9 . . . . 0.0 109.276 176.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . 0.606 ' O ' HD11 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.36 -25.17 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.371 -169.597 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.704 ' O ' ' CD1' ' C' ' 98' ' ' PHE . . . -111.32 115.15 28.83 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 173.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.91 172.33 27.7 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.711 -0.956 . . . . 0.0 110.711 -172.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.32 8.98 33.4 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.058 -0.672 . . . . 0.0 110.497 179.493 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.69 129.21 38.53 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.897 -1.521 . . . . 0.0 110.593 -165.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.02 141.81 46.25 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.919 175.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -124.53 126.16 45.38 Favored 'General case' 0 CA--C 1.501 -0.929 0 N-CA-C 105.903 -1.888 . . . . 0.0 105.903 171.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 72.8 m-85 -100.87 143.63 30.79 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 124.701 1.251 . . . . 0.0 110.259 -177.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . 0.435 ' CZ ' ' CH2' ' C' ' 61' ' ' TRP . 9.1 m-85 -137.0 156.71 48.09 Favored 'General case' 0 CA--C 1.508 -0.649 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.314 178.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.54 126.56 35.2 Favored 'General case' 0 N--CA 1.421 -1.924 0 C-N-CA 119.521 -0.872 . . . . 0.0 110.387 175.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.66 137.74 58.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.224 -174.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -118.83 3.96 11.55 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.574 -1.193 . . . . 0.0 110.268 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.25 135.86 93.78 Favored Pre-proline 0 C--O 1.266 1.947 0 CA-C-O 123.163 1.458 . . . . 0.0 108.622 172.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -61.29 -41.37 42.48 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.61 -1.127 . . . . 0.0 112.419 -174.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -96.03 146.92 24.23 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.159 0.504 . . . . 0.0 110.501 173.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.5 m -83.42 -9.36 59.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.136 178.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -53.5 -33.83 55.82 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 123.483 0.713 . . . . 0.0 112.799 -169.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -103.18 5.79 37.95 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 -174.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.8 p-10 -56.8 -48.87 76.96 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.309 -177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.73 -32.3 70.76 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.582 -173.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -44.13 80.28 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.901 0.381 . . . . 0.0 110.881 175.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 7.1 t-80 -55.64 -45.78 77.57 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 121.02 -1.05 . . . . 0.0 112.288 173.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . 0.448 ' HG ' ' HD2' ' C' ' 94' ' ' TYR . 3.9 t -60.67 -43.07 98.09 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.619 0.723 . . . . 0.0 110.291 178.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -61.89 -43.46 98.81 Favored 'General case' 0 C--O 1.241 0.633 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.096 -179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -64.33 -42.27 96.37 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . 0.502 HG13 ' CE1' ' C' ' 59' ' ' PHE . 3.6 t -52.23 -51.9 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.452 175.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . 0.534 ' HA ' HD23 ' C' ' 128' ' ' LEU . 30.7 t30 -60.34 -39.54 87.5 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 112.973 0.731 . . . . 0.0 112.973 -178.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -65.25 -46.1 81.91 Favored 'General case' 0 CA--C 1.514 -0.43 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.381 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . 0.499 ' CE2' HD12 ' C' ' 23' ' ' LEU . 80.2 m-85 -78.92 -24.56 43.97 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.537 -0.865 . . . . 0.0 112.386 -174.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.05 -36.07 41.58 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.769 -0.773 . . . . 0.0 112.284 174.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . 0.472 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 56.5 t30 -110.77 -11.04 14.43 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -168.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -141.2 71.79 27.3 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 169.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.7 Cg_exo -48.89 171.8 0.06 OUTLIER 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.578 1.518 . . . . 0.0 111.589 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 90.2 Cg_endo . . . . . 0 C--N 1.29 -2.514 0 C-N-CA 122.469 2.112 . . . . 0.0 111.641 179.749 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.9 mmm . . . . . 0 CA--C 1.549 0.939 0 N-CA-C 106.865 -1.531 . . . . 0.0 106.865 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.19 138.15 31.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 126.834 2.584 . . . . 0.0 108.912 178.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pt -131.21 163.01 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.35 0 N-CA-C 105.552 -2.018 . . . . 0.0 105.552 173.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.98 140.23 49.47 Favored 'General case' 0 N--CA 1.513 2.693 1 O-C-N 130.459 4.849 . . . . 0.0 108.748 179.658 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.09 114.22 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.791 0 CA-C-O 113.414 -3.184 . . . . 0.0 105.583 175.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 127.51 41.27 Favored 'General case' 0 N--CA 1.506 2.345 1 O-C-N 129.322 4.139 . . . . 0.0 107.968 -178.141 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 16.3 p -99.56 170.83 8.32 Favored 'General case' 0 C--N 1.353 0.729 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.352 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.46 -6.92 49.42 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 124.132 0.895 . . . . 0.0 112.647 -177.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.48 14.88 30.6 Favored 'General case' 0 N--CA 1.501 2.101 0 C-N-CA 115.773 -2.371 . . . . 0.0 111.995 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.8 80.09 Favored Glycine 0 C--N 1.297 -1.607 0 O-C-N 120.262 -1.524 . . . . 0.0 116.071 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.55 138.08 34.67 Favored 'General case' 0 C--N 1.309 -1.165 0 N-CA-C 105.259 -2.126 . . . . 0.0 105.259 175.027 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 82.8 p -119.98 131.68 55.25 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 126.543 2.402 . . . . 0.0 105.986 176.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mm -109.56 141.93 23.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.692 0 O-C-N 127.626 3.079 . . . . 0.0 108.871 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.4 t -101.36 139.71 36.65 Favored 'General case' 0 N--CA 1.495 1.805 0 C-N-CA 117.104 -1.839 . . . . 0.0 108.199 178.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -126.39 154.12 44.03 Favored 'General case' 0 N--CA 1.445 -0.718 0 CA-C-O 115.332 -2.271 . . . . 0.0 108.323 -179.22 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -111.95 121.04 43.91 Favored 'General case' 0 N--CA 1.499 1.982 1 O-C-N 129.339 4.15 . . . . 0.0 103.672 173.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.2 m -139.0 170.65 15.88 Favored 'Isoleucine or valine' 0 C--O 1.255 1.38 0 O-C-N 127.493 2.996 . . . . 0.0 111.152 -177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -119.98 144.59 37.85 Favored Pre-proline 0 C--N 1.314 -0.961 0 CA-C-N 112.309 -2.223 . . . . 0.0 106.309 174.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -24.4 40.12 Favored 'Trans proline' 0 C--N 1.321 -0.897 0 C-N-CA 122.489 2.126 . . . . 0.0 111.942 177.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -8.11 59.15 Favored 'General case' 0 C--O 1.243 0.745 0 CA-C-O 118.02 -0.99 . . . . 0.0 110.924 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -71.04 148.5 47.5 Favored 'General case' 0 N--CA 1.486 1.334 0 C-N-CA 117.402 -1.719 . . . . 0.0 109.802 -179.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.74 160.49 21.26 Favored 'General case' 0 CA--C 1.548 0.872 0 N-CA-C 108.239 -1.022 . . . . 0.0 108.239 175.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.227 HG21 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.48 -37.05 76.89 Favored 'Isoleucine or valine' 0 C--O 1.246 0.915 0 O-C-N 127.184 2.803 . . . . 0.0 110.291 175.796 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.64 -40.08 78.42 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.288 -0.883 . . . . 0.0 110.824 176.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.35 -41.85 80.07 Favored 'General case' 0 C--O 1.262 1.745 0 O-C-N 121.86 -0.525 . . . . 0.0 110.982 -178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.2 t -58.24 -46.43 88.75 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 O-C-N 124.462 1.101 . . . . 0.0 109.15 178.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 mtpm? -60.81 -38.08 84.16 Favored 'General case' 0 C--O 1.259 1.553 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.689 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.09 -38.0 87.16 Favored 'General case' 0 C--O 1.277 2.53 0 CA-C-N 118.129 0.422 . . . . 0.0 111.183 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.1 -37.59 87.99 Favored 'General case' 0 C--O 1.256 1.407 0 CA-C-O 123.088 1.423 . . . . 0.0 110.669 176.036 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.455 HG21 ' OE1' ' A' ' 41' ' ' GLN . 2.9 mt -70.03 -39.48 77.37 Favored 'Isoleucine or valine' 0 C--O 1.252 1.216 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.22 -48.72 78.74 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 125.551 2.596 . . . . 0.0 109.081 179.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.18 -41.69 65.48 Favored 'General case' 0 C--O 1.253 1.269 0 CA-C-N 113.405 -1.725 . . . . 0.0 111.989 178.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.319 19.2 tttm -93.61 -24.31 17.97 Favored 'General case' 0 C--O 1.28 2.708 0 N-CA-C 117.188 2.292 . . . . 0.0 117.188 -175.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.34 -6.58 8.21 Favored 'General case' 0 C--N 1.303 -1.42 0 CA-C-N 123.064 2.666 . . . . 0.0 114.194 179.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.65 89.97 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.882 2.313 . . . . 0.0 118.882 176.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.493 HG21 HE21 ' A' ' 41' ' ' GLN . 27.2 mm -79.73 124.81 83.33 Favored Pre-proline 0 C--O 1.244 0.793 0 C-N-CA 118.823 -1.151 . . . . 0.0 110.978 179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.453 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.2 Cg_exo -57.02 136.78 78.71 Favored 'Trans proline' 0 C--O 1.258 1.495 0 C-N-CA 123.369 2.713 . . . . 0.0 110.779 178.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.6 Cg_exo -57.08 -32.05 92.12 Favored 'Trans proline' 0 C--O 1.262 1.702 0 O-C-N 123.05 1.026 . . . . 0.0 113.568 -179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -68.47 -15.28 63.49 Favored 'General case' 0 C--O 1.263 1.766 0 O-C-N 119.9 -1.75 . . . . 0.0 112.163 -177.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.0 -10.3 28.92 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.615 -1.303 . . . . 0.0 112.001 178.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.493 HE21 HG21 ' A' ' 36' ' ' ILE . 2.1 mm-40 -84.85 129.47 34.81 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 124.398 2.047 . . . . 0.0 115.777 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -120.92 116.08 24.45 Favored 'General case' 0 C--O 1.299 3.659 0 N-CA-C 104.966 -2.235 . . . . 0.0 104.966 171.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.7 mp -103.48 130.24 50.8 Favored 'General case' 0 N--CA 1.488 1.454 0 CA-C-N 119.506 1.048 . . . . 0.0 109.974 -177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.1 131.89 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.818 0 O-C-N 125.145 1.528 . . . . 0.0 111.868 -177.546 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -144.39 129.47 18.58 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 105.396 -2.075 . . . . 0.0 105.396 177.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.16 46.19 19.69 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.324 -2.216 . . . . 0.0 110.675 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.421 ' HA2' ' OD2' ' C' ' 79' ' ' ASP . . . 61.59 21.82 60.88 Favored Glycine 0 N--CA 1.431 -1.662 0 C-N-CA 128.608 3.004 . . . . 0.0 117.497 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 24.1 mttt -115.14 142.81 46.14 Favored 'General case' 0 C--N 1.307 -1.248 0 N-CA-C 107.178 -1.416 . . . . 0.0 107.178 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.9 130.36 34.57 Favored 'General case' 0 C--O 1.257 1.497 0 N-CA-C 103.73 -2.693 . . . . 0.0 103.73 174.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.3 tp -79.6 138.15 37.35 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-O 117.741 -1.123 . . . . 0.0 110.153 -175.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 1.227 ' O ' HG21 ' A' ' 23' ' ' ILE . 0.2 OUTLIER -101.81 140.15 36.49 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 125.042 1.464 . . . . 0.0 109.977 -177.753 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.827 ' O ' HG23 ' A' ' 23' ' ' ILE . 72.8 m-20 -47.98 -42.59 28.19 Favored 'General case' 0 C--O 1.264 1.844 0 N-CA-C 120.72 3.6 . . . . 0.0 120.72 -175.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.56 -8.85 85.57 Favored Glycine 0 CA--C 1.489 -1.561 0 N-CA-C 116.245 1.258 . . . . 0.0 116.245 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.801 ' O ' HG22 ' A' ' 23' ' ' ILE . 6.4 mmm-85 -85.36 165.44 17.25 Favored 'General case' 0 C--O 1.252 1.203 0 O-C-N 119.792 -2.004 . . . . 0.0 108.0 176.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 0.6 OUTLIER -104.64 164.83 11.48 Favored 'General case' 0 C--N 1.307 -1.247 0 N-CA-C 106.584 -1.635 . . . . 0.0 106.584 177.035 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tp -61.56 -36.1 79.67 Favored 'General case' 0 C--O 1.203 -1.349 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 177.254 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.16 -29.43 70.55 Favored 'General case' 0 C--O 1.269 2.086 0 C-N-CA 117.313 -1.755 . . . . 0.0 112.157 -179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -39.7 70.7 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 122.448 1.118 . . . . 0.0 110.694 179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -90.73 4.69 50.84 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 117.687 -1.149 . . . . 0.0 113.032 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.12 45.14 18.11 Favored 'General case' 0 N--CA 1.479 1.018 0 CA-C-N 121.589 1.995 . . . . 0.0 111.182 179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 6.1 mt -88.68 116.44 30.35 Favored 'Isoleucine or valine' 0 C--O 1.266 1.954 0 CA-C-O 115.227 -2.321 . . . . 0.0 106.282 175.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.49 169.74 8.35 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 125.999 2.062 . . . . 0.0 109.37 -176.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.01 142.88 28.42 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-O 123.239 1.495 . . . . 0.0 109.096 -176.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.49 ' O ' HD22 ' B' ' 8' ' ' LEU . 1.8 mp0 67.14 19.16 10.44 Favored 'General case' 0 C--O 1.255 1.347 0 N-CA-C 117.916 2.561 . . . . 0.0 117.916 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.3 m -71.18 159.51 34.52 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.16 126.72 52.27 Favored 'General case' 0 C--N 1.306 -1.283 0 CA-C-O 118.173 -0.918 . . . . 0.0 108.805 175.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mt -103.07 154.52 19.18 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 114.839 -2.505 . . . . 0.0 105.657 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -105.63 135.75 46.48 Favored 'General case' 0 C--N 1.288 -2.067 0 O-C-N 127.352 2.907 . . . . 0.0 105.826 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mt -106.96 115.78 30.78 Favored 'General case' 0 C--O 1.285 2.966 0 CA-C-O 117.577 -1.201 . . . . 0.0 111.405 176.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.01 139.84 28.65 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.921 0 N-CA-C 103.612 -2.736 . . . . 0.0 103.612 175.011 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.0 138.9 32.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-O 121.291 0.567 . . . . 0.0 109.898 178.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 56.88 -151.21 0.42 Allowed 'General case' 0 C--N 1.278 -2.516 0 CA-C-O 113.176 -3.297 . . . . 0.0 105.531 178.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.05 -54.69 1.71 Allowed 'General case' 0 C--N 1.29 -1.979 0 O-C-N 125.892 1.995 . . . . 0.0 109.637 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.04 166.93 10.96 Favored 'General case' 0 C--O 1.247 0.926 0 CA-C-N 113.589 -1.641 . . . . 0.0 108.926 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.41 -175.99 53.61 Favored Glycine 0 C--O 1.245 0.803 0 CA-C-N 114.639 -1.164 . . . . 0.0 115.126 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.506 0 N-CA-C 108.267 -1.933 . . . . 0.0 108.267 179.412 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mmt . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -90.92 138.48 31.57 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 127.066 2.729 . . . . 0.0 108.776 178.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.429 ' CD1' HG23 ' B' ' 61' ' ' ILE . 0.8 OUTLIER -131.16 163.02 38.17 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.264 0 CA-C-O 115.734 -2.079 . . . . 0.0 105.985 173.122 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -115.85 140.17 49.49 Favored 'General case' 0 N--CA 1.514 2.766 1 O-C-N 130.644 4.965 . . . . 0.0 108.615 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.99 114.05 44.08 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.708 0 CA-C-O 113.446 -3.168 . . . . 0.0 105.786 175.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.05 127.61 41.24 Favored 'General case' 0 N--CA 1.503 2.192 1 O-C-N 129.184 4.053 . . . . 0.0 108.153 -178.134 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.664 HG22 ' O ' ' B' ' 11' ' ' LYS . 9.8 t -99.63 170.86 8.28 Favored 'General case' 0 C--N 1.353 0.726 0 CA-C-O 117.787 -1.101 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.49 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -73.32 -7.08 50.06 Favored 'General case' 0 N--CA 1.482 1.165 0 O-C-N 124.122 0.889 . . . . 0.0 112.839 -178.243 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.576 ' H ' HG23 ' B' ' 7' ' ' THR . 0.6 OUTLIER -101.13 14.81 30.78 Favored 'General case' 0 N--CA 1.506 2.352 0 C-N-CA 115.63 -2.428 . . . . 0.0 112.033 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.44 16.65 80.15 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.241 -1.537 . . . . 0.0 116.114 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.664 ' O ' HG22 ' B' ' 7' ' ' THR . 0.0 OUTLIER -96.16 137.82 34.67 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 105.555 -2.017 . . . . 0.0 105.555 174.849 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 70.0 p -119.93 131.87 55.34 Favored 'General case' 0 N--CA 1.473 0.693 0 O-C-N 126.452 2.345 . . . . 0.0 106.154 176.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.43 141.81 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 127.721 3.138 . . . . 0.0 109.121 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 30.3 m -101.23 139.83 36.36 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 117.014 -1.874 . . . . 0.0 108.371 177.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -126.52 154.1 44.26 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 115.512 -2.185 . . . . 0.0 108.351 -179.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.82 121.16 44.29 Favored 'General case' 0 N--CA 1.496 1.846 1 O-C-N 129.259 4.1 . . . . 0.0 103.575 174.07 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.9 m -139.09 170.6 15.84 Favored 'Isoleucine or valine' 0 C--O 1.254 1.317 0 O-C-N 127.761 3.163 . . . . 0.0 111.171 -177.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -120.07 144.68 38.22 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 112.139 -2.3 . . . . 0.0 106.298 174.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -54.87 -24.91 40.92 Favored 'Trans proline' 0 C--N 1.317 -1.124 0 C-N-CA 122.696 2.264 . . . . 0.0 111.49 177.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.6 t -79.77 -8.17 59.09 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.892 -177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -71.06 148.53 47.44 Favored 'General case' 0 N--CA 1.489 1.524 0 C-N-CA 117.247 -1.781 . . . . 0.0 109.782 -178.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.678 ' O ' HG13 ' B' ' 26' ' ' VAL . 2.5 p -83.89 160.58 21.09 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 108.212 -1.032 . . . . 0.0 108.212 175.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.67 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.5 mp -61.4 -36.8 75.4 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 O-C-N 126.964 2.665 . . . . 0.0 110.423 175.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -42.85 77.87 Favored 'General case' 0 C--O 1.252 1.197 0 O-C-N 120.463 -1.398 . . . . 0.0 111.0 176.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -64.4 -44.56 90.91 Favored 'General case' 0 C--O 1.251 1.14 0 C-N-CA 124.172 0.989 . . . . 0.0 111.455 -179.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.678 HG13 ' O ' ' B' ' 22' ' ' THR . 0.9 OUTLIER -58.6 -46.28 90.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.877 1.36 . . . . 0.0 109.004 178.93 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.404 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 22.3 mttm -60.71 -37.91 83.29 Favored 'General case' 0 C--O 1.256 1.418 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.934 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.37 -38.02 86.63 Favored 'General case' 0 C--O 1.279 2.655 0 O-C-N 123.367 0.417 . . . . 0.0 111.307 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.3 mtmt -64.06 -37.38 87.21 Favored 'General case' 0 C--O 1.253 1.289 0 O-C-N 120.39 -1.444 . . . . 0.0 110.833 175.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -69.76 -39.74 78.3 Favored 'Isoleucine or valine' 0 C--O 1.253 1.273 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.95 -48.91 78.3 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 125.538 2.589 . . . . 0.0 108.991 179.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -53.3 -41.83 66.03 Favored 'General case' 0 C--O 1.257 1.467 0 CA-C-N 113.648 -1.615 . . . . 0.0 111.882 179.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.8 OUTLIER -93.34 -24.33 18.15 Favored 'General case' 0 C--O 1.28 2.674 0 N-CA-C 117.272 2.323 . . . . 0.0 117.272 -175.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -123.64 -6.29 8.06 Favored 'General case' 0 C--N 1.306 -1.305 0 CA-C-N 122.926 2.603 . . . . 0.0 113.851 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.81 5.67 89.9 Favored Glycine 0 CA--C 1.476 -2.379 0 N-CA-C 118.814 2.286 . . . . 0.0 118.814 176.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.5 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 13.3 mt -79.84 125.02 83.0 Favored Pre-proline 0 C--O 1.242 0.708 0 C-N-CA 118.698 -1.201 . . . . 0.0 111.102 179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.5 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 95.4 Cg_exo -57.07 137.0 79.98 Favored 'Trans proline' 0 C--O 1.256 1.399 0 C-N-CA 122.921 2.414 . . . . 0.0 110.908 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.3 Cg_exo -57.31 -32.15 92.96 Favored 'Trans proline' 0 C--O 1.262 1.688 0 O-C-N 123.136 1.072 . . . . 0.0 113.32 -179.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -68.29 -15.56 63.61 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 119.926 -1.734 . . . . 0.0 112.328 -177.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.543 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.0 OUTLIER -95.53 -10.57 29.29 Favored 'General case' 0 N--CA 1.481 1.09 0 O-C-N 120.538 -1.351 . . . . 0.0 112.207 178.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.401 ' NE2' HD13 ' B' ' 43' ' ' LEU . 44.2 tt0 -84.92 129.65 34.77 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-O 124.289 1.995 . . . . 0.0 115.711 -177.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 tpm_? -121.21 116.04 24.17 Favored 'General case' 0 C--O 1.298 3.655 0 N-CA-C 104.777 -2.305 . . . . 0.0 104.777 172.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.401 HD13 ' NE2' ' B' ' 41' ' ' GLN . 6.2 tp -103.48 130.33 50.83 Favored 'General case' 0 N--CA 1.484 1.227 0 CA-C-N 119.459 1.027 . . . . 0.0 110.054 -177.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.599 HD11 ' O ' ' C' ' 99' ' ' LYS . 2.6 mt -122.07 131.61 72.78 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 125.194 1.559 . . . . 0.0 111.941 -177.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -144.3 129.77 18.97 Favored 'General case' 0 C--N 1.36 1.064 0 N-CA-C 105.297 -2.112 . . . . 0.0 105.297 177.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.29 45.84 20.18 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 112.001 -2.363 . . . . 0.0 110.712 177.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.92 20.22 59.73 Favored Glycine 0 C--N 1.299 -1.526 0 C-N-CA 128.256 2.836 . . . . 0.0 117.316 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.8 mtt180 -109.86 143.82 39.21 Favored 'General case' 0 C--N 1.304 -1.377 0 CA-C-O 115.407 -2.235 . . . . 0.0 110.945 174.189 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.595 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.4 OUTLIER -87.22 130.34 34.6 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 103.995 -2.594 . . . . 0.0 103.995 173.338 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mt -79.63 138.48 37.42 Favored 'General case' 0 C--N 1.312 -1.059 0 CA-C-O 117.595 -1.193 . . . . 0.0 110.086 -175.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.67 ' O ' HD13 ' B' ' 23' ' ' ILE . 1.9 tp10 -101.93 140.03 36.77 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 125.203 1.564 . . . . 0.0 109.951 -177.586 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -48.31 -42.08 30.03 Favored 'General case' 0 C--O 1.263 1.798 0 N-CA-C 120.717 3.599 . . . . 0.0 120.717 -175.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.27 -8.45 85.28 Favored Glycine 0 CA--C 1.493 -1.332 0 N-CA-C 116.0 1.16 . . . . 0.0 116.0 -177.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.554 ' O ' HD12 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -85.63 165.29 17.14 Favored 'General case' 0 C--O 1.251 1.144 0 O-C-N 120.126 -1.808 . . . . 0.0 108.034 176.337 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 11.9 t -104.35 164.49 11.7 Favored 'General case' 0 C--N 1.313 -1.002 0 N-CA-C 106.736 -1.579 . . . . 0.0 106.736 176.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.04 -36.44 79.57 Favored 'General case' 0 C--O 1.2 -1.508 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 177.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . 0.431 ' N ' HG23 ' B' ' 55' ' ' THR . 0.9 OUTLIER -63.62 -29.66 70.87 Favored 'General case' 0 C--O 1.267 1.997 0 C-N-CA 117.27 -1.772 . . . . 0.0 112.323 -179.497 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.69 -39.15 70.61 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 122.553 1.168 . . . . 0.0 110.761 179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -91.04 4.56 51.78 Favored 'General case' 0 C--N 1.303 -1.456 0 CA-C-O 117.521 -1.228 . . . . 0.0 112.883 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.86 45.35 18.58 Favored 'General case' 0 C--N 1.313 -0.982 0 CA-C-N 121.703 2.047 . . . . 0.0 111.364 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.471 HG22 ' O ' ' B' ' 61' ' ' ILE . 0.1 OUTLIER -88.76 116.21 30.01 Favored 'Isoleucine or valine' 0 C--O 1.272 2.243 0 CA-C-O 115.065 -2.397 . . . . 0.0 106.359 175.819 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.29 169.52 8.5 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 126.072 2.107 . . . . 0.0 109.765 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.79 142.99 26.93 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 123.109 1.433 . . . . 0.0 109.234 -176.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 66.92 19.09 10.65 Favored 'General case' 0 C--O 1.257 1.48 0 N-CA-C 117.867 2.543 . . . . 0.0 117.867 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -71.17 159.57 34.44 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 107.232 -1.395 . . . . 0.0 107.232 174.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.98 126.62 52.16 Favored 'General case' 0 C--N 1.308 -1.221 0 CA-C-O 118.159 -0.924 . . . . 0.0 108.793 175.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.16 154.56 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.723 -2.56 . . . . 0.0 105.701 175.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -105.62 135.84 46.3 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 127.57 3.044 . . . . 0.0 105.646 177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.1 115.84 30.89 Favored 'General case' 0 C--O 1.283 2.85 0 CA-C-O 117.65 -1.166 . . . . 0.0 111.39 176.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.406 ' HA ' HD21 ' B' ' 8' ' ' LEU . 88.7 t -108.18 139.92 28.61 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.732 0 N-CA-C 103.452 -2.795 . . . . 0.0 103.452 175.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.585 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.5 tt -96.06 -83.39 0.37 Allowed 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.081 0.467 . . . . 0.0 109.943 178.376 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.517 ' CB ' ' HA2' ' C' ' 101' ' ' GLY . 0.0 OUTLIER 52.6 88.31 0.03 OUTLIER 'General case' 0 C--N 1.277 -2.55 0 CA-C-O 113.366 -3.207 . . . . 0.0 105.431 -178.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.15 152.21 29.35 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 125.762 1.914 . . . . 0.0 109.639 -179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? 56.59 -179.4 0.05 OUTLIER 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 113.782 -1.554 . . . . 0.0 108.712 -179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.58 141.1 12.7 Favored Glycine 0 C--O 1.246 0.862 0 CA-C-N 114.834 -1.075 . . . . 0.0 115.09 -178.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.527 0 CA-C-O 116.49 -2.283 . . . . 0.0 108.261 178.915 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 34.2 m . . . . . 0 CA--C 1.511 -0.521 0 CA-C-O 121.843 0.83 . . . . 0.0 110.889 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -80.81 158.94 25.25 Favored 'General case' 0 C--N 1.289 -2.043 0 O-C-N 119.162 -2.211 . . . . 0.0 110.951 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 175.66 132.09 0.04 OUTLIER 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.879 2.072 . . . . 0.0 110.687 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -89.01 137.87 31.92 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.591 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.501 HD22 ' CD2' ' C' ' 127' ' ' TYR . 3.2 mt -70.2 -39.57 75.09 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.699 0.761 . . . . 0.0 111.881 172.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 t -144.34 136.04 21.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 125.283 1.433 . . . . 0.0 107.484 -178.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.33 148.05 34.27 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-N 118.931 0.787 . . . . 0.0 110.638 165.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -161.01 155.15 22.8 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.271 0.982 . . . . 0.0 111.21 173.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 ttm180 -72.18 127.84 33.8 Favored 'General case' 0 C--O 1.254 1.323 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.32 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.19 147.69 6.72 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.077 179.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.83 25.12 Favored Glycine 0 N--CA 1.444 -0.77 0 N-CA-C 108.279 -1.928 . . . . 0.0 108.279 175.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.11 -179.19 3.78 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . 0.731 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.2 mpt? -137.15 161.06 37.19 Favored 'General case' 0 N--CA 1.439 -1.014 0 N-CA-C 107.435 -1.321 . . . . 0.0 107.435 174.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 45.2 m -136.68 156.52 48.42 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.101 -1.439 . . . . 0.0 108.755 177.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.76 116.15 28.76 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.357 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.35 115.84 29.38 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.09 8.67 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.61 18.46 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.348 -0.426 . . . . 0.0 110.018 178.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.8 m -112.01 122.49 47.92 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -172.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 47.4 t -76.11 120.05 25.35 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.285 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.14 119.34 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.207 -173.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . 0.731 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 32.3 Cg_exo -59.85 134.8 59.3 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.892 -0.939 . . . . 0.0 111.873 173.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -85.71 132.18 34.19 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 172.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.19 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 -172.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -67.1 144.45 56.09 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -173.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 18.6 mmtt -68.1 125.52 26.63 Favored 'General case' 0 N--CA 1.443 -0.78 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 171.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.39 171.28 21.58 Favored Glycine 0 C--N 1.318 -0.462 0 CA-C-O 123.223 1.457 . . . . 0.0 115.35 -179.111 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 4.6 tp -128.39 124.39 36.22 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 m -90.92 137.54 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.121 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 164.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 24.2 p90 -151.95 157.78 42.23 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.056 0.932 . . . . 0.0 112.944 175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.428 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 10.3 mt -118.82 131.04 72.77 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.739 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.305 174.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -133.99 137.65 44.92 Favored 'General case' 0 CA--C 1.493 -1.23 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.24 122.16 42.61 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 170.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 23.5 p -84.11 171.08 13.19 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.267 177.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 45.3 p30 -71.53 -10.42 59.74 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.638 -0.825 . . . . 0.0 113.195 -170.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -82.7 7.45 14.84 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.238 -0.185 . . . . 0.0 111.015 170.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 3.6 m 73.87 -1.35 3.09 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.386 1.474 . . . . 0.0 114.717 -177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -74.94 149.82 39.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 119.21 -0.996 . . . . 0.0 113.112 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.415 HD13 ' HG3' ' C' ' 131' ' ' PRO . 0.0 OUTLIER -102.1 129.14 53.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.099 -0.955 . . . . 0.0 109.223 -177.667 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.65 125.33 50.55 Favored 'General case' 0 CA--C 1.513 -0.448 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 -176.478 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 27.6 t80 -98.79 119.05 36.9 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 171.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 26.6 m -127.72 156.78 41.86 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.585 0.957 . . . . 0.0 113.585 -171.193 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -130.43 128.26 40.95 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.615 -1.63 . . . . 0.0 108.734 169.27 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 8.4 ttmt -120.66 134.3 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.027 -1.442 . . . . 0.0 109.745 -176.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -74.22 115.33 13.59 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 173.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 -64.0 -32.43 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.61 1.337 . . . . 0.0 114.61 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 40.9 p -72.51 -46.14 56.09 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -175.068 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 10.4 t -91.43 -20.57 21.64 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.52 -176.645 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 2.61 60.87 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 119.755 -0.469 . . . . 0.0 113.771 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.46 129.97 39.57 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.645 1.222 . . . . 0.0 113.129 178.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.1 m -84.18 109.14 17.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 173.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -94.54 -28.82 15.22 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.946 -171.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -121.99 135.53 54.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.837 0.827 . . . . 0.0 109.407 177.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.97 103.4 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.483 -2.414 . . . . 0.0 104.483 -178.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -118.08 123.17 44.97 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.276 -174.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -75.73 124.29 33.45 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-O 122.336 1.065 . . . . 0.0 111.695 168.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.699 HD12 ' SG ' ' C' ' 80' ' ' CYS . 0.5 OUTLIER -123.03 130.36 74.49 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.43 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.613 -174.457 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -101.26 158.94 30.84 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.317 1.01 . . . . 0.0 110.885 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -54.33 133.92 58.41 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.864 2.376 . . . . 0.0 111.31 -179.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.81 5.89 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 116.672 2.101 . . . . 0.0 116.672 -175.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . 0.498 ' C ' ' SG ' ' C' ' 80' ' ' CYS . 24.1 t0 -70.39 -33.57 71.54 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 118.986 0.812 . . . . 0.0 109.623 176.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.699 ' SG ' HD12 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -154.91 168.14 27.96 Favored 'General case' 0 N--CA 1.444 -0.738 0 C-N-CA 118.431 -1.308 . . . . 0.0 113.665 -173.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -133.36 139.36 46.77 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-N 113.478 -1.692 . . . . 0.0 107.008 -178.146 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -106.75 124.16 49.21 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 13.7 mttp -148.54 156.44 42.44 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 2.6 ptt180 -67.75 142.86 56.13 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.438 177.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 72.4 t -94.29 98.37 2.9 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -61.0 -31.96 91.83 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 N-CA-C 117.788 2.188 . . . . 0.0 117.788 -167.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -91.12 8.63 34.66 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.198 -164.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 4.6 t -85.06 119.62 72.7 Favored Pre-proline 0 CA--C 1.514 -0.408 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 174.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -56.96 -19.87 34.16 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.369 -173.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 11.7 m -65.57 -34.58 78.57 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.457 0.571 . . . . 0.0 110.06 178.028 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.48 12.97 64.73 Favored Glycine 0 CA--C 1.505 -0.568 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.516 -172.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 34.5 mtp180 -120.98 17.1 11.73 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 116.346 1.98 . . . . 0.0 116.346 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 93.5 t -97.06 133.48 38.45 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 173.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 63.7 m-85 -125.07 151.78 45.21 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.46 1.725 . . . . 0.0 110.437 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 7.1 p -127.02 135.39 63.78 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.812 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 179.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 32.1 tp -95.48 108.16 20.36 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 7.3 mttt -109.27 125.16 52.0 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -171.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.475 ' CD1' ' N ' ' C' ' 98' ' ' PHE . 8.9 m-30 -84.79 115.6 22.81 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.058 0.849 . . . . 0.0 109.202 176.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . 0.599 ' O ' HD11 ' B' ' 44' ' ' ILE . 4.9 mtmt -63.36 -25.25 68.21 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.989 -1.005 . . . . 0.0 111.371 -169.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.19 115.2 28.98 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . 0.517 ' HA2' ' CB ' ' B' ' 72' ' ' ARG . . . 101.89 172.43 27.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 -172.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 41.2 t -91.43 9.0 33.6 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.054 -0.674 . . . . 0.0 110.525 179.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -70.66 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.72 46.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.967 175.781 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 mt -124.44 126.14 45.43 Favored 'General case' 0 CA--C 1.5 -0.955 0 N-CA-C 105.905 -1.887 . . . . 0.0 105.905 171.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . 0.42 ' CB ' ' SD ' ' C' ' 31' ' ' MET . 39.3 m-85 -100.8 143.66 30.69 Favored 'General case' 0 N--CA 1.442 -0.845 0 O-C-N 124.771 1.294 . . . . 0.0 110.302 -177.517 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -137.14 156.65 48.1 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.263 178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 4.1 t90 -131.42 126.53 35.35 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.568 -0.853 . . . . 0.0 110.408 175.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -62.6 137.75 58.33 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.312 -174.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.85 3.93 11.54 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.274 179.28 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.28 135.94 93.86 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.188 1.47 . . . . 0.0 108.623 172.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.27 -41.4 42.44 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.611 -1.126 . . . . 0.0 112.377 -174.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -96.08 146.93 24.23 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.159 0.504 . . . . 0.0 110.487 173.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 14.8 t -83.43 -9.3 59.1 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.154 178.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -53.57 -33.79 56.02 Favored 'General case' 0 C--O 1.222 -0.385 0 C-N-CA 123.389 0.676 . . . . 0.0 112.79 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 5.5 mt-30 -103.27 5.92 37.78 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.735 1.013 . . . . 0.0 113.735 -174.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -56.94 -48.81 77.43 Favored 'General case' 0 C--N 1.331 -0.217 0 C-N-CA 119.037 -1.065 . . . . 0.0 110.256 -177.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -69.83 -32.24 70.55 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.56 -173.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -67.27 -44.06 80.3 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.904 0.383 . . . . 0.0 110.96 175.447 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -55.54 -45.85 77.18 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.02 -1.05 . . . . 0.0 112.326 173.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 7.1 t -60.73 -43.03 98.39 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.65 0.738 . . . . 0.0 110.232 179.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.91 -43.53 98.65 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.115 -179.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 12.3 mttt -64.21 -42.29 96.67 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 82.9 t -52.27 -51.85 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.123 -0.631 . . . . 0.0 110.478 175.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 34.5 t30 -60.41 -39.51 87.63 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 112.917 0.71 . . . . 0.0 112.917 -178.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -65.29 -46.05 81.96 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.834 -0.346 . . . . 0.0 111.446 -178.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . 0.501 ' CD2' HD22 ' C' ' 23' ' ' LEU . 37.0 m-85 -79.0 -24.43 43.73 Favored 'General case' 0 C--O 1.217 -0.654 0 C-N-CA 119.435 -0.906 . . . . 0.0 112.39 -174.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.448 ' HG ' HG21 ' C' ' 75' ' ' ILE . 2.0 mp -79.11 -36.03 41.31 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.731 -0.788 . . . . 0.0 112.274 174.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -110.76 -11.06 14.43 Favored 'General case' 0 CA--C 1.515 -0.395 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -168.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 32.4 t30 -141.16 71.82 27.5 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 169.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . 0.415 ' HG3' HD13 ' C' ' 57' ' ' ILE . 80.5 Cg_exo -44.61 163.95 0.06 OUTLIER 'Trans proline' 0 C--N 1.312 -1.342 0 C-N-CA 121.639 1.559 . . . . 0.0 111.642 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 C--N 1.29 -2.513 0 C-N-CA 122.471 2.114 . . . . 0.0 111.534 -179.719 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.4 mmm . . . . . 0 CA--C 1.549 0.928 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -91.07 138.18 31.8 Favored 'General case' 0 C--O 1.263 1.787 0 O-C-N 126.908 2.63 . . . . 0.0 108.86 178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 pt -131.25 163.06 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.373 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 1.017 ' CE1' ' HB ' ' A' ' 12' ' ' THR . 0.1 OUTLIER -116.0 140.23 49.47 Favored 'General case' 0 N--CA 1.512 2.67 1 O-C-N 130.497 4.873 . . . . 0.0 108.784 179.618 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.715 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -118.02 114.25 44.67 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 113.454 -3.165 . . . . 0.0 105.624 175.738 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.794 ' CB ' ' CZ ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -95.23 127.52 41.34 Favored 'General case' 0 N--CA 1.506 2.368 1 O-C-N 129.334 4.146 . . . . 0.0 107.951 -178.169 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 11' ' ' LYS . 10.7 t -99.56 170.78 8.36 Favored 'General case' 0 C--N 1.354 0.783 0 CA-C-O 117.857 -1.068 . . . . 0.0 109.34 179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 50.9 mt -73.33 -7.07 50.03 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.129 0.893 . . . . 0.0 112.662 -177.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.575 ' H ' HG23 ' A' ' 7' ' ' THR . 0.6 OUTLIER -101.51 15.12 29.89 Favored 'General case' 0 N--CA 1.502 2.127 0 C-N-CA 115.715 -2.394 . . . . 0.0 112.006 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.34 16.67 80.23 Favored Glycine 0 C--N 1.297 -1.638 0 O-C-N 120.247 -1.533 . . . . 0.0 116.135 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.644 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.45 138.08 34.57 Favored 'General case' 0 C--N 1.309 -1.16 0 N-CA-C 105.277 -2.12 . . . . 0.0 105.277 175.045 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 1.017 ' HB ' ' CE1' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -119.9 131.6 55.28 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 126.696 2.497 . . . . 0.0 105.929 176.412 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.52 141.97 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 O-C-N 127.61 3.069 . . . . 0.0 108.898 179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.44 139.71 36.73 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.163 -1.815 . . . . 0.0 108.189 178.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.47 154.05 44.25 Favored 'General case' 0 N--CA 1.444 -0.728 0 CA-C-O 115.396 -2.24 . . . . 0.0 108.291 -179.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -111.83 121.08 44.09 Favored 'General case' 0 N--CA 1.5 2.053 1 O-C-N 129.261 4.1 . . . . 0.0 103.638 173.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 21.8 m -138.97 170.61 15.96 Favored 'Isoleucine or valine' 0 C--O 1.253 1.262 0 O-C-N 127.663 3.102 . . . . 0.0 111.161 -177.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -119.96 144.54 37.71 Favored Pre-proline 0 C--N 1.315 -0.922 0 CA-C-N 112.334 -2.212 . . . . 0.0 106.322 174.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 63.5 Cg_exo -55.03 -24.31 39.41 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 122.513 2.142 . . . . 0.0 111.952 177.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 53.6 p -80.06 -8.07 59.19 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 117.961 -1.018 . . . . 0.0 110.868 -177.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -71.05 148.37 47.61 Favored 'General case' 0 N--CA 1.487 1.375 0 C-N-CA 117.471 -1.692 . . . . 0.0 109.774 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.1 OUTLIER -83.74 160.56 21.24 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 108.292 -1.003 . . . . 0.0 108.292 175.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.749 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.6 mp -61.55 -37.06 76.97 Favored 'Isoleucine or valine' 0 C--O 1.245 0.855 0 O-C-N 127.161 2.788 . . . . 0.0 110.209 175.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.49 -40.26 78.22 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.368 -0.833 . . . . 0.0 110.736 176.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.26 -41.95 80.34 Favored 'General case' 0 C--O 1.262 1.738 0 O-C-N 121.948 -0.47 . . . . 0.0 110.958 -178.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.14 -46.37 88.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 O-C-N 124.483 1.115 . . . . 0.0 109.263 178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.4 mtpp -60.91 -37.92 83.95 Favored 'General case' 0 C--O 1.26 1.609 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.671 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.03 87.05 Favored 'General case' 0 C--O 1.277 2.516 0 CA-C-N 118.176 0.443 . . . . 0.0 111.184 176.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.09 -37.57 87.91 Favored 'General case' 0 C--O 1.255 1.345 0 CA-C-O 123.063 1.411 . . . . 0.0 110.685 176.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 40.1 mt -69.9 -39.54 77.73 Favored 'Isoleucine or valine' 0 C--O 1.251 1.14 0 N-CA-C 106.711 -1.589 . . . . 0.0 106.711 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -48.68 78.94 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-O 125.553 2.597 . . . . 0.0 109.137 179.606 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.39 -41.72 66.21 Favored 'General case' 0 C--O 1.254 1.296 0 CA-C-N 113.383 -1.735 . . . . 0.0 111.857 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -93.52 -24.33 18.02 Favored 'General case' 0 C--O 1.279 2.63 0 N-CA-C 117.253 2.316 . . . . 0.0 117.253 -175.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -123.37 -6.42 8.21 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.041 2.655 . . . . 0.0 114.259 179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.59 90.01 Favored Glycine 0 CA--C 1.478 -2.277 0 N-CA-C 118.908 2.323 . . . . 0.0 118.908 176.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 23.6 mt -79.82 124.79 83.19 Favored Pre-proline 0 C--O 1.244 0.808 0 C-N-CA 118.791 -1.163 . . . . 0.0 110.916 179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.471 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 81.4 Cg_exo -57.02 136.9 79.44 Favored 'Trans proline' 0 C--O 1.258 1.495 0 C-N-CA 123.311 2.674 . . . . 0.0 110.737 178.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.4 Cg_exo -57.15 -31.99 92.11 Favored 'Trans proline' 0 C--O 1.261 1.648 0 O-C-N 123.0 1.0 . . . . 0.0 113.666 -179.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -68.51 -15.31 63.5 Favored 'General case' 0 C--O 1.262 1.742 0 O-C-N 119.904 -1.747 . . . . 0.0 112.228 -177.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -95.96 -10.18 29.29 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.704 -1.248 . . . . 0.0 112.079 178.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -84.96 129.65 34.77 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-O 124.454 2.073 . . . . 0.0 115.673 -177.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -121.03 116.03 24.27 Favored 'General case' 0 C--O 1.3 3.755 0 N-CA-C 104.976 -2.231 . . . . 0.0 104.976 171.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.51 130.14 50.83 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-N 119.61 1.096 . . . . 0.0 109.96 -177.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 3.7 mm -121.93 131.77 72.39 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.843 0 O-C-N 125.068 1.48 . . . . 0.0 112.011 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -144.31 129.58 18.77 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 177.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.17 46.12 19.74 Favored 'General case' 0 C--N 1.31 -1.144 0 CA-C-N 112.202 -2.272 . . . . 0.0 110.785 177.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.57 21.73 60.74 Favored Glycine 0 N--CA 1.433 -1.557 0 C-N-CA 128.56 2.981 . . . . 0.0 117.583 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.5 mppt? -115.13 142.75 46.23 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 107.058 -1.46 . . . . 0.0 107.058 177.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 mp0 -85.8 130.34 34.58 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 103.798 -2.667 . . . . 0.0 103.798 174.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.62 138.08 37.31 Favored 'General case' 0 C--N 1.314 -0.961 0 CA-C-O 117.685 -1.15 . . . . 0.0 110.151 -175.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.521 ' O ' HD13 ' A' ' 23' ' ' ILE . 1.4 mp0 -101.66 140.1 36.41 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 125.139 1.524 . . . . 0.0 109.969 -177.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -47.97 -42.5 27.82 Favored 'General case' 0 C--O 1.264 1.855 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 -175.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.8 85.48 Favored Glycine 0 CA--C 1.49 -1.492 0 N-CA-C 116.139 1.215 . . . . 0.0 116.139 -177.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.749 ' O ' HD12 ' A' ' 23' ' ' ILE . 42.8 mtt180 -85.37 165.36 17.3 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 119.786 -2.008 . . . . 0.0 108.078 176.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.8 t -104.57 164.84 11.46 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.67 -35.91 79.33 Favored 'General case' 0 C--O 1.202 -1.395 0 N-CA-C 108.131 -1.063 . . . . 0.0 108.131 177.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.425 ' N ' HG23 ' A' ' 55' ' ' THR . 0.2 OUTLIER -64.28 -29.39 70.48 Favored 'General case' 0 C--O 1.268 2.062 0 C-N-CA 117.228 -1.789 . . . . 0.0 112.19 -179.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -55.5 -39.59 70.64 Favored 'General case' 0 N--CA 1.485 1.31 0 CA-C-O 122.412 1.101 . . . . 0.0 110.681 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -90.8 4.71 50.94 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 117.601 -1.19 . . . . 0.0 112.943 179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 58.1 45.22 18.04 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 121.703 2.047 . . . . 0.0 111.173 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 9.1 mt -88.76 116.55 30.6 Favored 'Isoleucine or valine' 0 C--O 1.268 2.044 0 CA-C-O 115.172 -2.347 . . . . 0.0 106.233 175.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -103.54 169.75 8.35 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 126.041 2.088 . . . . 0.0 109.366 -176.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.98 142.94 28.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-O 123.277 1.513 . . . . 0.0 109.097 -176.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.671 ' O ' HD22 ' B' ' 8' ' ' LEU . 4.3 mt-10 67.04 19.17 10.55 Favored 'General case' 0 C--O 1.255 1.383 0 N-CA-C 117.969 2.581 . . . . 0.0 117.969 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 4.1 t -71.12 159.53 34.53 Favored 'General case' 0 CA--C 1.546 0.809 0 N-CA-C 107.338 -1.356 . . . . 0.0 107.338 174.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 7.4 t -119.23 126.72 52.2 Favored 'General case' 0 C--N 1.308 -1.235 0 CA-C-O 118.191 -0.909 . . . . 0.0 108.8 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.09 154.61 19.1 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-O 114.707 -2.568 . . . . 0.0 105.715 175.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -105.69 135.62 46.77 Favored 'General case' 0 C--N 1.286 -2.158 0 O-C-N 127.404 2.94 . . . . 0.0 105.887 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.1 tp -106.83 115.75 30.73 Favored 'General case' 0 C--O 1.285 2.953 0 CA-C-O 117.599 -1.191 . . . . 0.0 111.446 176.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 71.7 t -108.06 139.92 28.41 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.923 0 N-CA-C 103.672 -2.714 . . . . 0.0 103.672 174.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 5.1 mp -96.14 138.84 33.18 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-O 121.256 0.551 . . . . 0.0 109.807 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -55.25 129.5 38.61 Favored 'General case' 0 C--N 1.279 -2.487 0 CA-C-O 113.176 -3.297 . . . . 0.0 105.534 178.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -93.26 166.37 12.35 Favored 'General case' 0 C--N 1.29 -1.981 0 O-C-N 125.903 2.002 . . . . 0.0 109.623 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -99.41 159.7 14.82 Favored 'General case' 0 C--O 1.246 0.895 0 CA-C-N 113.63 -1.623 . . . . 0.0 108.885 -179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -75.99 -133.26 0.43 Allowed Glycine 0 C--O 1.247 0.929 0 CA-C-N 114.534 -1.212 . . . . 0.0 115.106 -179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.514 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 179.382 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.0 mtp . . . . . 0 CA--C 1.548 0.904 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.04 138.46 31.58 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 127.137 2.773 . . . . 0.0 108.774 178.503 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.13 163.04 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.312 0 CA-C-O 115.833 -2.032 . . . . 0.0 105.828 173.278 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 1.255 ' HD2' ' O ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -115.89 140.21 49.46 Favored 'General case' 0 N--CA 1.515 2.799 1 O-C-N 130.68 4.988 . . . . 0.0 108.65 179.696 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.49 ' N ' ' CD2' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -117.94 113.99 43.94 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 CA-C-O 113.306 -3.235 . . . . 0.0 105.808 175.517 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.847 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.3 OUTLIER -95.08 127.58 41.25 Favored 'General case' 0 N--CA 1.501 2.103 1 O-C-N 129.27 4.106 . . . . 0.0 108.176 -178.073 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 27.9 p -99.5 170.81 8.35 Favored 'General case' 0 C--N 1.351 0.657 0 CA-C-O 117.868 -1.063 . . . . 0.0 109.281 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.671 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -73.37 -7.06 50.03 Favored 'General case' 0 N--CA 1.482 1.134 0 O-C-N 124.001 0.813 . . . . 0.0 112.858 -178.293 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.16 14.73 31.02 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 115.63 -2.428 . . . . 0.0 111.972 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.87 79.98 Favored Glycine 0 C--N 1.296 -1.683 0 O-C-N 120.16 -1.588 . . . . 0.0 116.123 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.31 137.95 34.63 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 105.47 -2.048 . . . . 0.0 105.47 174.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 20.1 p -120.01 132.02 55.33 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 126.425 2.328 . . . . 0.0 106.157 176.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.524 HD11 ' OE1' ' B' ' 34' ' ' GLU . 1.6 mp -109.56 141.71 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 127.723 3.139 . . . . 0.0 109.049 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.18 139.83 36.32 Favored 'General case' 0 N--CA 1.496 1.872 0 C-N-CA 117.027 -1.869 . . . . 0.0 108.382 177.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 14.1 mt -126.48 154.08 44.23 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 115.607 -2.14 . . . . 0.0 108.314 -179.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -111.82 121.22 44.47 Favored 'General case' 0 N--CA 1.497 1.898 1 O-C-N 129.254 4.096 . . . . 0.0 103.527 174.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.05 170.61 15.87 Favored 'Isoleucine or valine' 0 C--O 1.252 1.23 0 O-C-N 127.867 3.23 . . . . 0.0 111.234 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -120.15 144.66 38.31 Favored Pre-proline 0 C--N 1.314 -0.954 0 CA-C-N 112.054 -2.339 . . . . 0.0 106.244 174.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -54.81 -24.83 40.06 Favored 'Trans proline' 0 C--N 1.317 -1.089 0 C-N-CA 122.758 2.305 . . . . 0.0 111.502 177.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 24.1 t -79.85 -8.27 59.19 Favored 'General case' 0 C--O 1.241 0.647 0 O-C-N 121.164 -0.96 . . . . 0.0 110.904 -177.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.98 148.54 47.55 Favored 'General case' 0 N--CA 1.489 1.509 0 C-N-CA 117.307 -1.757 . . . . 0.0 109.762 -178.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.676 ' O ' HG13 ' B' ' 26' ' ' VAL . 2.7 p -83.89 160.43 21.12 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 175.768 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.6 ' O ' HG22 ' B' ' 26' ' ' VAL . 22.2 mm -61.33 -36.86 75.7 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 126.929 2.643 . . . . 0.0 110.428 175.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.773 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.06 -42.94 77.42 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 120.393 -1.442 . . . . 0.0 111.008 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -44.58 90.76 Favored 'General case' 0 C--O 1.25 1.108 0 C-N-CA 124.322 1.049 . . . . 0.0 111.41 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.676 HG13 ' O ' ' B' ' 22' ' ' THR . 0.9 OUTLIER -58.54 -46.33 89.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.873 1.358 . . . . 0.0 108.971 178.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.407 ' N ' ' CG2' ' B' ' 26' ' ' VAL . 9.9 mtmm -60.75 -37.98 83.64 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-O 118.778 -0.629 . . . . 0.0 110.786 -179.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -37.88 86.39 Favored 'General case' 0 C--O 1.279 2.628 0 O-C-N 123.483 0.49 . . . . 0.0 111.448 176.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtmt -63.98 -37.49 87.6 Favored 'General case' 0 C--O 1.254 1.314 0 O-C-N 120.417 -1.427 . . . . 0.0 110.878 175.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -39.74 78.33 Favored 'Isoleucine or valine' 0 C--O 1.254 1.337 0 N-CA-C 106.798 -1.556 . . . . 0.0 106.798 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -62.01 -48.74 78.97 Favored 'General case' 0 N--CA 1.498 1.934 0 CA-C-O 125.448 2.547 . . . . 0.0 109.026 179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -53.45 -41.78 66.46 Favored 'General case' 0 C--O 1.258 1.52 0 CA-C-N 113.639 -1.619 . . . . 0.0 111.812 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 0.0 OUTLIER -93.47 -24.29 18.07 Favored 'General case' 0 C--O 1.281 2.727 0 N-CA-C 117.157 2.28 . . . . 0.0 117.157 -175.793 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.524 ' OE1' HD11 ' B' ' 13' ' ' ILE . 0.7 OUTLIER -123.68 -6.33 8.03 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 122.996 2.635 . . . . 0.0 113.791 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.64 90.01 Favored Glycine 0 CA--C 1.477 -2.32 0 N-CA-C 118.726 2.25 . . . . 0.0 118.726 176.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.476 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 1.6 mt -80.01 125.08 82.55 Favored Pre-proline 0 C--O 1.242 0.71 0 C-N-CA 118.619 -1.232 . . . . 0.0 111.052 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 84.4 Cg_exo -57.09 137.05 80.17 Favored 'Trans proline' 0 C--O 1.255 1.365 0 C-N-CA 122.937 2.425 . . . . 0.0 110.886 178.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -57.27 -32.16 92.9 Favored 'Trans proline' 0 C--O 1.261 1.644 0 O-C-N 123.086 1.045 . . . . 0.0 113.36 -179.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.27 -15.59 63.63 Favored 'General case' 0 C--O 1.264 1.827 0 O-C-N 119.997 -1.689 . . . . 0.0 112.281 -177.522 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.805 ' HB3' HD11 ' B' ' 71' ' ' LEU . 31.6 mm-40 -95.5 -10.59 29.3 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 120.462 -1.399 . . . . 0.0 112.187 178.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -84.95 129.67 34.76 Favored 'General case' 0 C--N 1.314 -0.969 0 CA-C-O 124.29 1.995 . . . . 0.0 115.686 -177.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 3.3 mmt180 -121.12 116.19 24.52 Favored 'General case' 0 C--O 1.298 3.654 0 N-CA-C 104.792 -2.299 . . . . 0.0 104.792 172.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.3 mp -103.6 130.24 51.0 Favored 'General case' 0 N--CA 1.484 1.262 0 CA-C-N 119.481 1.037 . . . . 0.0 109.95 -177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.504 HD13 ' CG1' ' B' ' 70' ' ' VAL . 1.8 mp -122.02 131.74 72.47 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.737 0 O-C-N 125.162 1.539 . . . . 0.0 111.963 -177.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -144.27 129.76 18.99 Favored 'General case' 0 C--N 1.359 0.996 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 177.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.26 45.85 20.06 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 111.964 -2.38 . . . . 0.0 110.685 177.305 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 20.27 59.63 Favored Glycine 0 C--N 1.298 -1.553 0 C-N-CA 128.277 2.846 . . . . 0.0 117.316 -179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -109.88 143.83 39.23 Favored 'General case' 0 C--N 1.304 -1.383 0 CA-C-O 115.317 -2.277 . . . . 0.0 110.986 174.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -87.19 130.3 34.6 Favored 'General case' 0 C--N 1.281 -2.409 0 N-CA-C 103.996 -2.594 . . . . 0.0 103.996 173.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 61.5 mt -79.52 138.31 37.48 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-O 117.631 -1.176 . . . . 0.0 110.128 -175.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.81 139.96 36.74 Favored 'General case' 0 N--CA 1.477 0.912 0 O-C-N 125.172 1.545 . . . . 0.0 109.976 -177.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.773 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.3 OUTLIER -48.24 -42.12 29.5 Favored 'General case' 0 C--O 1.263 1.778 0 N-CA-C 120.772 3.619 . . . . 0.0 120.772 -175.792 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.07 -8.68 85.28 Favored Glycine 0 N--CA 1.476 1.358 0 N-CA-C 115.927 1.131 . . . . 0.0 115.927 -177.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -85.63 165.33 17.1 Favored 'General case' 0 C--O 1.25 1.114 0 O-C-N 120.159 -1.789 . . . . 0.0 107.991 176.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.2 p -104.3 164.4 11.75 Favored 'General case' 0 C--N 1.312 -1.052 0 N-CA-C 106.789 -1.56 . . . . 0.0 106.789 177.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 85.5 mt -60.97 -36.37 79.22 Favored 'General case' 0 C--O 1.2 -1.506 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 177.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -63.73 -29.73 70.91 Favored 'General case' 0 C--O 1.267 1.982 0 C-N-CA 117.283 -1.767 . . . . 0.0 112.208 -179.47 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.66 -39.03 70.36 Favored 'General case' 0 N--CA 1.485 1.293 0 CA-C-O 122.533 1.159 . . . . 0.0 110.793 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -91.06 4.42 52.18 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 117.576 -1.202 . . . . 0.0 112.885 179.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.9 45.45 18.3 Favored 'General case' 0 C--O 1.248 0.977 0 CA-C-N 121.726 2.057 . . . . 0.0 111.284 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.83 116.14 29.93 Favored 'Isoleucine or valine' 0 C--O 1.269 2.109 0 CA-C-O 115.094 -2.384 . . . . 0.0 106.284 175.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 169.58 8.46 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 126.113 2.133 . . . . 0.0 109.752 -176.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.85 142.92 27.46 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-O 123.081 1.42 . . . . 0.0 109.273 -176.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 67.03 19.04 10.57 Favored 'General case' 0 C--O 1.256 1.402 0 N-CA-C 117.886 2.55 . . . . 0.0 117.886 179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 96.3 p -71.09 159.54 34.53 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 174.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.643 ' OG1' ' CE2' ' B' ' 4' ' ' PHE . 0.6 OUTLIER -118.96 126.62 52.17 Favored 'General case' 0 C--N 1.308 -1.236 0 CA-C-O 118.218 -0.896 . . . . 0.0 108.874 175.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 23.1 mt -103.11 154.54 19.18 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 114.674 -2.584 . . . . 0.0 105.751 175.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.62 135.73 46.49 Favored 'General case' 0 C--N 1.283 -2.324 0 O-C-N 127.514 3.009 . . . . 0.0 105.707 177.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -107.05 115.85 30.91 Favored 'General case' 0 C--O 1.283 2.844 0 CA-C-O 117.671 -1.157 . . . . 0.0 111.417 176.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.513 ' HA ' HD21 ' B' ' 8' ' ' LEU . 1.1 m -108.17 139.9 28.66 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.698 0 N-CA-C 103.375 -2.824 . . . . 0.0 103.375 175.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.805 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.04 -83.49 0.37 Allowed 'General case' 0 N--CA 1.478 0.962 0 CA-C-O 121.098 0.475 . . . . 0.0 109.836 178.334 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? 59.25 93.1 0.04 OUTLIER 'General case' 0 C--N 1.278 -2.537 0 CA-C-O 113.406 -3.188 . . . . 0.0 105.456 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.54 -82.78 0.01 OUTLIER 'General case' 0 C--N 1.294 -1.828 0 O-C-N 125.69 1.869 . . . . 0.0 109.718 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -138.6 156.43 47.47 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 113.848 -1.524 . . . . 0.0 108.734 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -159.38 -148.69 5.3 Favored Glycine 0 C--O 1.246 0.861 0 CA-C-N 114.815 -1.084 . . . . 0.0 115.199 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.553 0 CA-C-O 116.574 -2.236 . . . . 0.0 108.26 179.102 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 121.942 0.877 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -81.67 116.65 21.49 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 119.048 -2.283 . . . . 0.0 111.04 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 mttp -138.69 49.54 1.88 Allowed 'General case' 0 CA--C 1.511 -0.545 0 C-N-CA 126.728 2.011 . . . . 0.0 110.624 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -88.99 137.85 31.94 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.329 -0.851 . . . . 0.0 111.56 -178.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.471 HD22 ' CE1' ' C' ' 127' ' ' TYR . 7.6 mt -70.17 -39.64 75.19 Favored 'General case' 0 C--O 1.239 0.549 0 CA-C-O 121.682 0.753 . . . . 0.0 111.874 172.394 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.4 t -144.29 136.13 22.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.233 1.413 . . . . 0.0 107.464 -178.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.38 148.15 34.31 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.642 -0.823 . . . . 0.0 110.524 165.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -161.08 155.15 22.66 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.261 0.976 . . . . 0.0 111.21 173.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -72.21 127.8 33.69 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.205 -1.362 . . . . 0.0 112.331 178.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.663 ' HB3' HG12 ' C' ' 47' ' ' VAL . . . -166.17 147.7 6.75 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.08 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.96 164.88 25.19 Favored Glycine 0 N--CA 1.446 -0.677 0 N-CA-C 108.246 -1.942 . . . . 0.0 108.246 175.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 4.8 ptmt -109.18 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . 0.567 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.08 161.07 37.11 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 174.633 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . 0.573 ' O ' HG22 ' C' ' 39' ' ' THR . 0.1 OUTLIER -136.7 156.58 48.33 Favored 'General case' 0 C--N 1.319 -0.736 0 C-N-CA 118.085 -1.446 . . . . 0.0 108.72 177.347 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.534 HD22 HG12 ' C' ' 38' ' ' VAL . 0.0 OUTLIER -92.79 116.19 28.8 Favored 'General case' 0 N--CA 1.436 -1.137 0 N-CA-C 105.895 -1.891 . . . . 0.0 105.895 177.358 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 173.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . 0.44 ' O ' HD12 ' C' ' 33' ' ' LEU . . . 64.32 -116.1 8.67 Favored Glycine 0 N--CA 1.445 -0.765 0 N-CA-C 108.324 -1.911 . . . . 0.0 108.324 -169.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.98 14.56 18.46 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.352 -0.424 . . . . 0.0 109.98 178.03 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -112.02 122.53 48.02 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.534 HG12 HD22 ' C' ' 33' ' ' LEU . 27.5 m -76.16 120.04 25.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 107.054 -1.461 . . . . 0.0 107.054 174.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . 0.573 HG22 ' O ' ' C' ' 32' ' ' SER . 0.8 OUTLIER -124.13 119.47 26.48 Favored Pre-proline 0 C--O 1.244 0.805 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 -173.376 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.07 134.94 59.33 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 117.882 -0.945 . . . . 0.0 111.845 173.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.78 132.14 34.18 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.98 -11.12 59.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.643 0.979 . . . . 0.0 113.643 -172.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 4.4 mtt180 -67.09 144.39 56.13 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -173.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 tppp? -68.15 125.6 26.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.31 171.17 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.376 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 mt -128.4 124.4 36.21 Favored 'General case' 0 N--CA 1.423 -1.804 0 N-CA-C 106.275 -1.75 . . . . 0.0 106.275 175.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . 0.663 HG12 ' HB3' ' C' ' 28' ' ' ALA . 0.2 OUTLIER -90.96 137.56 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.147 0 N-CA-C 108.576 -0.898 . . . . 0.0 108.576 164.551 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.406 ' CE2' ' SG ' ' C' ' 60' ' ' CYS . 6.0 p90 -151.91 157.83 42.35 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 121.993 0.901 . . . . 0.0 113.024 175.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 1.2 mt -118.85 131.06 72.74 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 CA-C-N 113.559 -1.655 . . . . 0.0 108.309 174.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . 0.455 ' N ' ' ND1' ' C' ' 58' ' ' HIS . 0.3 OUTLIER -134.0 137.64 44.88 Favored 'General case' 0 CA--C 1.494 -1.193 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 -178.422 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -100.23 122.05 42.43 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 170.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -84.03 171.14 13.21 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.259 177.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 58.4 p-10 -71.64 -10.42 59.74 Favored 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.661 -0.816 . . . . 0.0 113.156 -170.256 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -82.64 7.43 14.76 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.23 -0.188 . . . . 0.0 110.974 170.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 6.5 t 73.78 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 125.493 1.517 . . . . 0.0 114.743 -177.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.82 149.93 39.47 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 119.228 -0.989 . . . . 0.0 113.113 179.695 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 3.9 mm -102.21 129.06 54.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.145 -177.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.993 ' O ' ' ND1' ' C' ' 58' ' ' HIS . 0.0 OUTLIER -117.6 125.39 50.7 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.963 -1.125 . . . . 0.0 107.963 -176.501 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -98.87 118.98 36.85 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 171.216 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . 0.671 ' HB2' ' CD2' ' C' ' 58' ' ' HIS . 48.7 t -127.7 156.8 41.8 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 -171.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . 0.411 ' HZ2' ' CZ ' ' C' ' 107' ' ' PHE . 5.0 m-90 -130.47 128.28 40.94 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.712 169.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -120.68 134.38 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 114.059 -1.428 . . . . 0.0 109.753 -176.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.25 115.24 13.53 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 173.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.96 -32.38 73.9 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -176.245 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . 0.473 HG23 ' N ' ' C' ' 66' ' ' SER . 5.7 t -72.53 -46.23 55.55 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.5 -0.555 . . . . 0.0 109.5 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . 0.473 ' N ' HG23 ' C' ' 65' ' ' THR . 6.9 t -91.46 -20.46 21.73 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.516 -176.588 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.48 2.72 60.53 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.759 -0.467 . . . . 0.0 113.77 -171.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -72.48 130.0 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.656 1.228 . . . . 0.0 113.195 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . 0.639 ' O ' HG23 ' C' ' 69' ' ' VAL . 32.1 m -84.19 109.11 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.44 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 7.2 tt0 -94.37 -28.98 15.24 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.758 -0.777 . . . . 0.0 111.048 -171.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -121.9 135.66 54.89 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-O 121.847 0.832 . . . . 0.0 109.433 177.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -155.06 103.29 2.38 Favored 'General case' 0 CA--C 1.499 -0.983 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.08 123.24 45.14 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.406 -1.27 . . . . 0.0 109.242 -174.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 10.1 mm -75.8 124.26 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-O 122.396 1.093 . . . . 0.0 111.776 168.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.96 130.29 74.55 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.632 -174.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 3.3 m-30 -101.23 158.97 30.78 Favored Pre-proline 0 C--O 1.24 0.603 0 O-C-N 124.519 1.137 . . . . 0.0 110.883 173.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_exo -54.23 133.87 57.83 Favored 'Trans proline' 0 CA--C 1.532 0.387 0 C-N-CA 122.889 2.393 . . . . 0.0 111.387 -179.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.41 6.95 5.96 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.66 2.096 . . . . 0.0 116.66 -175.67 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -70.44 -33.63 71.53 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 119.011 0.823 . . . . 0.0 109.558 176.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.85 168.19 27.75 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.441 -1.304 . . . . 0.0 113.601 -173.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -133.5 139.25 46.54 Favored 'General case' 0 N--CA 1.441 -0.894 0 CA-C-N 113.45 -1.705 . . . . 0.0 107.038 -178.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.412 ' CE2' ' CB ' ' C' ' 94' ' ' TYR . 5.3 t80 -106.7 124.13 49.15 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 8.0 mtmt -148.51 156.45 42.47 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 114.802 1.408 . . . . 0.0 114.802 -177.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.3 ttt-85 -67.73 142.78 56.17 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.008 -0.997 . . . . 0.0 108.445 177.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . 0.845 ' O ' HG23 ' C' ' 85' ' ' VAL . 1.2 m -94.22 98.3 2.83 Favored Pre-proline 0 C--N 1.319 -0.748 0 N-CA-C 106.232 -1.766 . . . . 0.0 106.232 171.756 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.96 -31.96 91.97 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 N-CA-C 117.816 2.199 . . . . 0.0 117.816 -167.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -91.09 8.63 34.58 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 117.918 -1.513 . . . . 0.0 112.236 -164.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 30.0 p -85.1 119.7 72.75 Favored Pre-proline 0 CA--C 1.514 -0.413 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 174.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -57.0 -19.83 34.22 Favored 'Trans proline' 0 C--N 1.346 0.443 0 O-C-N 122.978 0.988 . . . . 0.0 114.441 -173.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.56 -34.65 78.74 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.368 0.531 . . . . 0.0 110.047 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.48 13.07 64.88 Favored Glycine 0 CA--C 1.506 -0.473 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.511 -172.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 6.2 ptp180 -121.01 17.11 11.7 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.257 1.947 . . . . 0.0 116.257 -179.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . 0.642 ' HB ' ' CG2' ' C' ' 85' ' ' VAL . 96.7 t -97.06 133.44 38.61 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 173.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . 0.481 ' CE1' ' HB2' ' C' ' 109' ' ' MET . 2.4 m-85 -125.04 151.73 45.22 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 125.468 1.73 . . . . 0.0 110.418 178.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.1 m -126.99 135.37 63.85 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . 0.452 HD13 ' C ' ' C' ' 96' ' ' LEU . 3.1 tm? -95.44 108.07 20.26 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 169.13 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -109.21 125.2 51.98 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.251 -1.018 . . . . 0.0 108.251 -171.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -84.75 115.72 22.86 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.155 0.909 . . . . 0.0 109.17 176.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.53 -25.19 68.14 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.048 -0.978 . . . . 0.0 111.36 -169.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.21 115.19 28.95 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 173.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . 0.553 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.88 172.47 27.76 Favored Glycine 0 N--CA 1.446 -0.644 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -172.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.42 9.0 33.59 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.074 -0.662 . . . . 0.0 110.51 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 tptp -70.67 129.24 38.63 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.602 -165.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 141.74 46.19 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.936 175.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 20.9 mt -124.55 126.21 45.46 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . 0.44 ' N ' ' CD2' ' C' ' 106' ' ' PHE . 1.4 m-85 -100.88 143.65 30.78 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.698 1.249 . . . . 0.0 110.319 -177.5 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . 0.411 ' CZ ' ' HZ2' ' C' ' 61' ' ' TRP . 1.4 m-85 -137.07 156.67 48.11 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.567 -1.197 . . . . 0.0 109.258 178.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.47 126.61 35.46 Favored 'General case' 0 N--CA 1.42 -1.937 0 C-N-CA 119.475 -0.89 . . . . 0.0 110.466 174.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . 0.481 ' HB2' ' CE1' ' C' ' 94' ' ' TYR . 0.1 OUTLIER -62.66 137.8 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.189 -174.631 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 mm-40 -118.87 3.97 11.53 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.56 -1.2 . . . . 0.0 110.268 179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.28 135.92 93.85 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.129 1.442 . . . . 0.0 108.623 172.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.37 -41.29 42.44 Favored 'Trans proline' 0 C--O 1.245 0.864 0 C-N-CA 117.58 -1.147 . . . . 0.0 112.366 -174.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 147.0 24.19 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-O 121.143 0.496 . . . . 0.0 110.498 173.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 75.4 p -83.54 -9.23 59.08 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.102 178.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -53.6 -33.8 56.22 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.403 0.681 . . . . 0.0 112.794 -169.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -103.19 5.79 37.92 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 -174.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . 0.402 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 15.8 p-10 -56.97 -48.71 77.73 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.957 -1.097 . . . . 0.0 110.27 -177.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -69.81 -32.32 70.71 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 119.361 -0.936 . . . . 0.0 110.522 -173.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -67.22 -44.06 80.47 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.926 0.393 . . . . 0.0 110.96 175.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -55.57 -45.87 77.26 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.998 -1.064 . . . . 0.0 112.325 173.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 8.6 m -60.6 -43.07 97.85 Favored 'General case' 0 C--N 1.316 -0.888 0 CA-C-O 121.693 0.759 . . . . 0.0 110.297 179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 2.1 mmt-85 -61.9 -43.49 98.74 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.461 -0.791 . . . . 0.0 109.166 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -64.12 -42.47 96.83 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 2.5 t -52.28 -51.8 29.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.087 -0.645 . . . . 0.0 110.476 175.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -60.38 -39.55 87.69 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -65.27 -45.99 82.29 Favored 'General case' 0 CA--C 1.515 -0.37 0 C-N-CA 120.797 -0.361 . . . . 0.0 111.446 -178.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . 0.471 ' CE1' HD22 ' C' ' 23' ' ' LEU . 27.5 m-85 -79.08 -24.37 43.54 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 119.4 -0.92 . . . . 0.0 112.351 -174.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.536 HD23 ' HB2' ' C' ' 129' ' ' ASN . 0.1 OUTLIER -79.17 -36.03 40.97 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.753 -0.779 . . . . 0.0 112.192 174.518 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . 0.536 ' HB2' HD23 ' C' ' 128' ' ' LEU . 3.2 t-20 -110.78 -11.1 14.42 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 113.059 0.763 . . . . 0.0 113.059 -168.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -141.21 71.78 27.27 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 169.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . 0.568 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 67.1 Cg_exo -51.69 -44.81 42.01 Favored 'Trans proline' 0 C--N 1.313 -1.292 0 C-N-CA 121.625 1.55 . . . . 0.0 111.545 -179.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . 0.568 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 71.6 Cg_exo . . . . . 0 C--N 1.29 -2.541 0 C-N-CA 122.425 2.083 . . . . 0.0 111.611 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 106.943 -1.503 . . . . 0.0 106.943 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.06 138.17 31.81 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 126.834 2.584 . . . . 0.0 108.902 178.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.829 HD11 HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -131.2 162.98 38.28 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.399 0 N-CA-C 105.601 -1.999 . . . . 0.0 105.601 173.461 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -115.93 140.3 49.38 Favored 'General case' 0 N--CA 1.512 2.663 1 O-C-N 130.585 4.928 . . . . 0.0 108.764 179.637 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.19 114.26 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 113.427 -3.177 . . . . 0.0 105.537 175.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 20.3 tttm -95.22 127.45 41.29 Favored 'General case' 0 N--CA 1.505 2.315 1 O-C-N 129.345 4.153 . . . . 0.0 107.962 -178.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.717 HG23 ' H ' ' A' ' 9' ' ' THR . 14.8 t -99.47 170.73 8.41 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.816 -1.088 . . . . 0.0 109.404 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.37 -7.0 49.83 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 124.141 0.9 . . . . 0.0 112.694 -177.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.717 ' H ' HG23 ' A' ' 7' ' ' THR . 0.3 OUTLIER -101.51 15.06 30.09 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.638 -2.425 . . . . 0.0 111.996 -179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.89 80.12 Favored Glycine 0 C--N 1.297 -1.615 0 O-C-N 120.053 -1.655 . . . . 0.0 116.022 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.47 138.17 34.46 Favored 'General case' 0 C--N 1.31 -1.128 0 N-CA-C 105.265 -2.124 . . . . 0.0 105.265 174.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 31.0 p -120.03 131.69 55.21 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 126.653 2.471 . . . . 0.0 105.849 176.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -109.53 141.94 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 127.621 3.075 . . . . 0.0 108.927 179.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.44 139.75 36.68 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 117.147 -1.821 . . . . 0.0 108.091 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.42 HD11 HD11 ' A' ' 30' ' ' ILE . 7.3 mt -126.45 154.06 44.2 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-O 115.363 -2.256 . . . . 0.0 108.34 -179.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 59.7 mm-40 -111.82 121.04 43.98 Favored 'General case' 0 N--CA 1.499 2.017 1 O-C-N 129.245 4.091 . . . . 0.0 103.611 173.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.829 HG12 HD11 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -138.97 170.55 16.03 Favored 'Isoleucine or valine' 0 C--O 1.256 1.406 0 O-C-N 127.55 3.031 . . . . 0.0 111.222 -177.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.455 ' N ' HG13 ' A' ' 17' ' ' VAL . 2.9 pm0 -119.89 144.51 37.53 Favored Pre-proline 0 C--N 1.314 -0.945 0 CA-C-N 112.43 -2.168 . . . . 0.0 106.364 174.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -55.1 -24.3 39.98 Favored 'Trans proline' 0 C--N 1.32 -0.966 0 C-N-CA 122.466 2.111 . . . . 0.0 111.875 177.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -80.01 -8.15 59.2 Favored 'General case' 0 C--O 1.242 0.703 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.912 -177.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.612 ' OD2' HG23 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -71.01 148.5 47.56 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 117.358 -1.737 . . . . 0.0 109.831 -179.073 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.79 160.52 21.2 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 175.822 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.686 HD13 ' O ' ' A' ' 51' ' ' GLU . 1.5 mp -61.46 -37.06 76.89 Favored 'Isoleucine or valine' 0 C--O 1.247 0.93 0 O-C-N 127.17 2.794 . . . . 0.0 110.245 175.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -57.52 -40.25 78.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.221 -0.924 . . . . 0.0 110.765 176.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.35 -41.87 80.07 Favored 'General case' 0 C--O 1.263 1.792 0 O-C-N 121.945 -0.472 . . . . 0.0 110.984 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.612 HG23 ' OD2' ' A' ' 21' ' ' ASP . 0.9 OUTLIER -58.23 -46.43 88.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 O-C-N 124.409 1.068 . . . . 0.0 109.112 178.165 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 mtmt -60.88 -37.86 83.64 Favored 'General case' 0 C--O 1.26 1.619 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.687 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.26 -38.0 86.82 Favored 'General case' 0 C--O 1.277 2.538 0 CA-C-N 118.184 0.447 . . . . 0.0 111.129 176.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -37.54 87.83 Favored 'General case' 0 C--O 1.254 1.33 0 O-C-N 120.441 -1.412 . . . . 0.0 110.668 176.066 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.42 HD11 HD11 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -69.93 -39.58 77.71 Favored 'Isoleucine or valine' 0 C--O 1.251 1.157 0 N-CA-C 106.68 -1.6 . . . . 0.0 106.68 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -62.17 -48.69 78.95 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 125.5 2.571 . . . . 0.0 109.176 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -53.22 -41.83 65.76 Favored 'General case' 0 C--O 1.254 1.322 0 CA-C-N 113.494 -1.685 . . . . 0.0 111.902 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 0.8 OUTLIER -93.58 -24.23 18.02 Favored 'General case' 0 C--O 1.28 2.688 0 N-CA-C 117.182 2.289 . . . . 0.0 117.182 -175.821 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -123.43 -6.38 8.17 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 123.094 2.679 . . . . 0.0 114.212 179.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.02 5.63 90.01 Favored Glycine 0 CA--C 1.479 -2.17 0 N-CA-C 118.9 2.32 . . . . 0.0 118.9 176.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.0 mt -79.84 124.71 83.19 Favored Pre-proline 0 C--O 1.243 0.746 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.932 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 84.1 Cg_exo -56.95 136.89 79.29 Favored 'Trans proline' 0 C--O 1.258 1.516 0 C-N-CA 123.239 2.626 . . . . 0.0 110.768 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -57.08 -32.0 91.94 Favored 'Trans proline' 0 C--O 1.262 1.676 0 O-C-N 122.97 0.984 . . . . 0.0 113.676 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.43 -15.4 63.54 Favored 'General case' 0 C--O 1.262 1.759 0 O-C-N 119.951 -1.718 . . . . 0.0 112.206 -177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.96 -10.29 29.03 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.63 -1.294 . . . . 0.0 112.054 178.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 -84.8 129.58 34.8 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-O 124.339 2.019 . . . . 0.0 115.792 -177.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -121.07 116.16 24.5 Favored 'General case' 0 C--O 1.299 3.69 0 N-CA-C 104.967 -2.234 . . . . 0.0 104.967 171.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.59 130.11 50.96 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 119.631 1.105 . . . . 0.0 109.953 -177.462 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 68' ' ' HIS . 0.1 OUTLIER -122.02 131.88 72.17 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.854 0 O-C-N 125.088 1.493 . . . . 0.0 111.926 -177.57 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -144.38 129.49 18.62 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.14 19.67 Favored 'General case' 0 C--N 1.31 -1.145 0 CA-C-N 112.195 -2.275 . . . . 0.0 110.766 177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.6 21.74 60.82 Favored Glycine 0 N--CA 1.43 -1.702 0 C-N-CA 128.672 3.034 . . . . 0.0 117.542 -179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.03 142.9 46.01 Favored 'General case' 0 C--N 1.308 -1.205 0 N-CA-C 107.098 -1.445 . . . . 0.0 107.098 177.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -85.91 130.21 34.61 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 103.729 -2.693 . . . . 0.0 103.729 174.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.4 mp -79.42 138.08 37.49 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-O 117.656 -1.164 . . . . 0.0 110.229 -176.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.686 ' O ' HD13 ' A' ' 23' ' ' ILE . 24.0 mp0 -101.82 140.04 36.64 Favored 'General case' 0 N--CA 1.481 1.082 0 O-C-N 125.123 1.514 . . . . 0.0 109.949 -177.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -47.96 -42.5 27.76 Favored 'General case' 0 C--O 1.264 1.825 0 N-CA-C 120.76 3.615 . . . . 0.0 120.76 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.86 85.47 Favored Glycine 0 CA--C 1.489 -1.58 0 N-CA-C 116.251 1.26 . . . . 0.0 116.251 -177.321 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.679 ' O ' HD12 ' A' ' 23' ' ' ILE . 15.0 mtt180 -85.44 165.35 17.25 Favored 'General case' 0 C--O 1.251 1.17 0 O-C-N 119.709 -2.053 . . . . 0.0 108.04 176.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 21.6 p -104.43 164.75 11.52 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 177.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -61.49 -36.1 79.51 Favored 'General case' 0 C--O 1.202 -1.428 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 177.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.13 -29.46 70.58 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.335 -1.746 . . . . 0.0 112.193 -179.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.6 -39.55 70.88 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 122.322 1.058 . . . . 0.0 110.617 179.592 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -90.73 4.56 51.21 Favored 'General case' 0 C--N 1.301 -1.542 0 CA-C-O 117.723 -1.132 . . . . 0.0 113.029 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 58.25 45.17 17.63 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.633 2.015 . . . . 0.0 111.121 179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.78 116.46 30.44 Favored 'Isoleucine or valine' 0 C--O 1.268 2.041 0 CA-C-O 115.123 -2.37 . . . . 0.0 106.216 175.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -103.48 169.71 8.37 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 126.075 2.11 . . . . 0.0 109.406 -176.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.5 tttm -54.88 142.96 27.47 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 123.293 1.52 . . . . 0.0 109.079 -176.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.647 ' O ' HD22 ' B' ' 8' ' ' LEU . 0.7 OUTLIER 66.85 19.31 10.67 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 118.006 2.595 . . . . 0.0 118.006 179.406 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.1 m -71.2 159.47 34.58 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 107.324 -1.361 . . . . 0.0 107.324 174.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.496 ' HB ' HD23 ' B' ' 8' ' ' LEU . 0.6 OUTLIER -119.14 126.81 52.49 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-O 118.182 -0.913 . . . . 0.0 108.847 175.742 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.4 mt -103.12 154.56 19.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.821 -2.514 . . . . 0.0 105.641 175.195 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.456 ' O ' HG23 ' A' ' 44' ' ' ILE . 6.1 t-160 -105.71 135.57 46.9 Favored 'General case' 0 C--N 1.287 -2.126 0 O-C-N 127.325 2.891 . . . . 0.0 105.894 177.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.3 mt -106.8 115.88 30.97 Favored 'General case' 0 C--O 1.285 2.941 0 CA-C-O 117.682 -1.152 . . . . 0.0 111.451 176.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.09 140.01 28.12 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.904 0 N-CA-C 103.511 -2.774 . . . . 0.0 103.511 175.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 16.8 mt -96.18 138.86 33.18 Favored 'General case' 0 N--CA 1.48 1.052 0 CA-C-O 121.204 0.526 . . . . 0.0 109.838 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.77 120.83 9.11 Favored 'General case' 0 C--N 1.277 -2.547 0 CA-C-O 113.208 -3.282 . . . . 0.0 105.592 178.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.19 -166.62 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.965 0 O-C-N 125.94 2.025 . . . . 0.0 109.575 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.6 mpp_? 61.31 38.22 16.53 Favored 'General case' 0 C--O 1.247 0.955 0 CA-C-N 113.641 -1.618 . . . . 0.0 108.836 -179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.05 -141.86 5.07 Favored Glycine 0 C--O 1.245 0.844 0 CA-C-N 114.649 -1.16 . . . . 0.0 115.09 -178.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.473 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 179.47 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 CA--C 1.549 0.921 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -90.91 138.46 31.58 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 127.197 2.811 . . . . 0.0 108.767 178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 3.1 pt -131.17 163.13 37.85 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.248 0 CA-C-O 115.817 -2.04 . . . . 0.0 105.895 173.141 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.98 140.13 49.57 Favored 'General case' 0 N--CA 1.514 2.761 1 O-C-N 130.604 4.94 . . . . 0.0 108.602 179.794 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 t -117.88 114.0 43.98 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 CA-C-O 113.345 -3.217 . . . . 0.0 105.869 175.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 19.8 tttt -95.11 127.59 41.28 Favored 'General case' 0 N--CA 1.503 2.18 1 O-C-N 129.177 4.048 . . . . 0.0 108.108 -178.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 53.0 p -99.57 170.81 8.34 Favored 'General case' 0 C--N 1.353 0.738 0 CA-C-O 117.791 -1.1 . . . . 0.0 109.291 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.647 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.3 OUTLIER -73.37 -6.99 49.71 Favored 'General case' 0 N--CA 1.482 1.159 0 O-C-N 124.106 0.879 . . . . 0.0 112.798 -178.256 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 11.0 t -101.22 14.81 30.8 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 115.665 -2.414 . . . . 0.0 111.973 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.5 16.59 80.15 Favored Glycine 0 C--N 1.296 -1.65 0 O-C-N 120.277 -1.514 . . . . 0.0 116.093 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 tptp -96.27 137.93 34.62 Favored 'General case' 0 C--N 1.306 -1.29 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 174.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 8.9 p -119.88 131.89 55.38 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 126.355 2.285 . . . . 0.0 106.21 176.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -109.51 141.8 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 127.815 3.197 . . . . 0.0 109.109 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.19 139.91 36.22 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 116.982 -1.887 . . . . 0.0 108.405 177.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.58 154.11 44.36 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 115.524 -2.179 . . . . 0.0 108.305 -179.27 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -111.91 121.13 44.17 Favored 'General case' 0 N--CA 1.496 1.846 1 O-C-N 129.232 4.082 . . . . 0.0 103.508 174.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 20.3 m -139.01 170.64 15.87 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 O-C-N 127.835 3.209 . . . . 0.0 111.246 -177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -120.1 144.63 38.15 Favored Pre-proline 0 C--N 1.312 -1.036 0 CA-C-N 112.019 -2.355 . . . . 0.0 106.273 174.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 67.1 Cg_exo -54.91 -24.67 40.11 Favored 'Trans proline' 0 C--N 1.318 -1.053 0 C-N-CA 122.596 2.197 . . . . 0.0 111.591 177.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 33.7 t -79.89 -8.21 59.18 Favored 'General case' 0 C--O 1.241 0.656 0 O-C-N 121.142 -0.973 . . . . 0.0 110.964 -177.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -71.0 148.53 47.54 Favored 'General case' 0 N--CA 1.488 1.475 0 C-N-CA 117.287 -1.765 . . . . 0.0 109.768 -178.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.7 p -83.93 160.52 21.07 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 108.183 -1.043 . . . . 0.0 108.183 175.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.762 HD12 ' O ' ' B' ' 54' ' ' ARG . 1.7 mp -61.42 -36.8 75.44 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 126.957 2.661 . . . . 0.0 110.409 175.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.629 ' O ' ' HD3' ' B' ' 27' ' ' LYS . 88.6 tt0 -56.14 -42.94 77.72 Favored 'General case' 0 C--O 1.253 1.288 0 O-C-N 120.389 -1.444 . . . . 0.0 110.937 176.313 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -64.39 -44.55 90.96 Favored 'General case' 0 C--O 1.251 1.137 0 C-N-CA 124.301 1.041 . . . . 0.0 111.394 -179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.67 -46.18 90.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 114.294 -1.321 . . . . 0.0 108.971 179.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 1.227 ' CG ' ' HB3' ' B' ' 38' ' ' PRO . 0.0 OUTLIER -60.75 -38.05 83.89 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.849 -179.688 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.735 ' HB2' ' HE2' ' B' ' 27' ' ' LYS . . . -66.27 -37.97 86.73 Favored 'General case' 0 C--O 1.278 2.584 0 O-C-N 123.381 0.425 . . . . 0.0 111.336 176.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 ttmt -63.93 -37.53 87.75 Favored 'General case' 0 C--O 1.253 1.28 0 O-C-N 120.431 -1.418 . . . . 0.0 110.821 175.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.485 HD13 ' OE1' ' B' ' 41' ' ' GLN . 4.5 mt -69.67 -39.78 78.57 Favored 'Isoleucine or valine' 0 C--O 1.254 1.333 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -61.94 -48.81 78.72 Favored 'General case' 0 N--CA 1.497 1.898 0 CA-C-O 125.634 2.635 . . . . 0.0 109.081 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -53.43 -41.83 66.48 Favored 'General case' 0 C--O 1.257 1.477 0 CA-C-N 113.605 -1.634 . . . . 0.0 111.797 179.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.322 0.0 OUTLIER -93.41 -24.17 18.16 Favored 'General case' 0 C--O 1.282 2.763 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -175.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.77 -6.35 7.98 Favored 'General case' 0 C--N 1.305 -1.326 0 CA-C-N 122.965 2.621 . . . . 0.0 113.803 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.58 90.05 Favored Glycine 0 CA--C 1.475 -2.407 0 N-CA-C 118.791 2.277 . . . . 0.0 118.791 176.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.475 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 1.1 mt -79.81 125.06 82.98 Favored Pre-proline 0 C--O 1.243 0.724 0 C-N-CA 118.727 -1.189 . . . . 0.0 111.085 179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.475 ' HD2' ' HA ' ' B' ' 36' ' ' ILE . 26.3 Cg_endo -57.21 136.97 79.6 Favored 'Trans proline' 0 C--O 1.256 1.417 0 C-N-CA 122.964 2.443 . . . . 0.0 110.901 178.257 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 1.227 ' HB3' ' CG ' ' B' ' 27' ' ' LYS . 26.8 Cg_endo -57.12 -32.23 92.73 Favored 'Trans proline' 0 C--O 1.262 1.684 0 O-C-N 123.022 1.011 . . . . 0.0 113.424 -179.188 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -68.24 -15.6 63.64 Favored 'General case' 0 C--O 1.264 1.831 0 O-C-N 119.989 -1.694 . . . . 0.0 112.179 -177.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.666 ' HB3' HD11 ' B' ' 71' ' ' LEU . 1.5 mp0 -95.58 -10.66 28.95 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 120.502 -1.374 . . . . 0.0 112.136 178.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.485 ' OE1' HD13 ' B' ' 30' ' ' ILE . 36.5 tt0 -84.8 129.61 34.79 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-O 124.249 1.976 . . . . 0.0 115.778 -177.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 tpp85 -121.15 116.12 24.36 Favored 'General case' 0 C--O 1.299 3.679 0 N-CA-C 104.815 -2.291 . . . . 0.0 104.815 172.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.3 mt -103.61 130.31 51.02 Favored 'General case' 0 N--CA 1.484 1.225 0 CA-C-N 119.501 1.046 . . . . 0.0 109.964 -177.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.607 ' O ' HG13 ' B' ' 44' ' ' ILE . 0.4 OUTLIER -122.03 131.66 72.67 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 125.234 1.584 . . . . 0.0 112.06 -177.598 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.532 ' N ' HD12 ' B' ' 44' ' ' ILE . 60.8 t80 -144.23 129.88 19.13 Favored 'General case' 0 C--N 1.359 0.995 0 N-CA-C 105.264 -2.124 . . . . 0.0 105.264 177.479 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.06 46.02 19.37 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 112.002 -2.363 . . . . 0.0 110.676 177.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.22 59.65 Favored Glycine 0 C--N 1.299 -1.508 0 C-N-CA 128.342 2.877 . . . . 0.0 117.298 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 8.8 mtm180 -109.89 143.79 39.3 Favored 'General case' 0 C--N 1.304 -1.373 0 CA-C-O 115.285 -2.293 . . . . 0.0 110.903 174.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.429 ' HG3' ' O ' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -87.07 130.31 34.55 Favored 'General case' 0 C--N 1.28 -2.437 0 N-CA-C 104.037 -2.579 . . . . 0.0 104.037 173.295 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.6 138.46 37.44 Favored 'General case' 0 C--N 1.311 -1.072 0 CA-C-O 117.635 -1.174 . . . . 0.0 110.028 -175.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.552 ' O ' HD13 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -101.94 140.0 36.81 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.283 1.615 . . . . 0.0 109.947 -177.664 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -48.31 -41.95 29.66 Favored 'General case' 0 C--O 1.261 1.695 0 N-CA-C 120.81 3.633 . . . . 0.0 120.81 -175.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.21 -8.59 85.17 Favored Glycine 0 CA--C 1.491 -1.425 0 N-CA-C 115.98 1.152 . . . . 0.0 115.98 -177.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.762 ' O ' HD12 ' B' ' 23' ' ' ILE . 25.6 mmt-85 -85.64 165.31 17.11 Favored 'General case' 0 C--O 1.251 1.159 0 O-C-N 120.04 -1.859 . . . . 0.0 107.975 176.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.456 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 65.7 p -104.32 164.5 11.69 Favored 'General case' 0 C--N 1.311 -1.08 0 N-CA-C 106.729 -1.582 . . . . 0.0 106.729 177.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -61.1 -36.39 79.55 Favored 'General case' 0 C--O 1.201 -1.483 0 N-CA-C 108.097 -1.075 . . . . 0.0 108.097 177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -29.78 70.97 Favored 'General case' 0 C--O 1.267 2.007 0 C-N-CA 117.254 -1.778 . . . . 0.0 112.21 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.67 -39.01 70.36 Favored 'General case' 0 N--CA 1.484 1.242 0 CA-C-O 122.572 1.177 . . . . 0.0 110.795 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -91.13 4.51 52.01 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-O 117.61 -1.186 . . . . 0.0 112.888 179.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 57.83 45.45 18.53 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 121.664 2.029 . . . . 0.0 111.327 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -88.66 116.21 29.95 Favored 'Isoleucine or valine' 0 C--O 1.272 2.248 0 CA-C-O 114.939 -2.458 . . . . 0.0 106.367 175.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 pm0 -103.3 169.52 8.5 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 126.173 2.171 . . . . 0.0 109.7 -176.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.97 142.99 27.81 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-O 123.15 1.453 . . . . 0.0 109.264 -176.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.02 19.08 10.59 Favored 'General case' 0 C--O 1.255 1.345 0 N-CA-C 117.879 2.548 . . . . 0.0 117.879 179.61 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.11 159.57 34.45 Favored 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 107.175 -1.417 . . . . 0.0 107.175 174.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.1 m -119.08 126.59 52.02 Favored 'General case' 0 C--N 1.307 -1.275 0 CA-C-O 118.308 -0.853 . . . . 0.0 108.752 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.1 mt -103.17 154.59 19.15 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 114.67 -2.586 . . . . 0.0 105.731 174.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -105.61 135.86 46.24 Favored 'General case' 0 C--N 1.284 -2.245 0 O-C-N 127.59 3.056 . . . . 0.0 105.636 178.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tt -107.19 115.84 30.87 Favored 'General case' 0 C--O 1.283 2.849 0 CA-C-O 117.605 -1.188 . . . . 0.0 111.452 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 61.2 t -108.14 139.96 28.39 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.807 0 N-CA-C 103.471 -2.789 . . . . 0.0 103.471 175.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.666 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -96.2 -83.38 0.37 Allowed 'General case' 0 N--CA 1.479 0.997 0 CA-C-O 121.087 0.47 . . . . 0.0 109.827 178.477 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 32.2 ttt180 170.22 -67.27 0.01 OUTLIER 'General case' 0 C--N 1.277 -2.547 0 CA-C-O 113.356 -3.212 . . . . 0.0 105.378 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 4.9 mt 61.76 61.42 1.43 Allowed 'General case' 0 C--N 1.293 -1.871 0 O-C-N 125.737 1.898 . . . . 0.0 109.756 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 57.87 179.96 0.06 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 113.799 -1.546 . . . . 0.0 108.729 -179.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 146.54 -168.98 27.84 Favored Glycine 0 C--O 1.244 0.771 0 CA-C-N 114.854 -1.066 . . . . 0.0 115.138 -178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.507 0 CA-C-O 116.579 -2.234 . . . . 0.0 108.306 179.061 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.512 -0.493 0 CA-C-O 121.873 0.844 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -159.47 134.98 8.42 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 119.141 -2.224 . . . . 0.0 110.973 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 27.2 mttt -142.74 147.35 35.44 Favored 'General case' 0 CA--C 1.509 -0.616 0 C-N-CA 126.821 2.048 . . . . 0.0 110.714 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.466 -0.788 . . . . 0.0 111.607 -178.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' C' ' 23' ' ' LEU . 4.2 mm? -70.14 -39.64 75.28 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.704 0.764 . . . . 0.0 111.89 172.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 t -144.34 136.07 21.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 C-N-CA 125.283 1.433 . . . . 0.0 107.484 -178.196 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.36 148.07 34.25 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.539 165.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.04 155.16 22.76 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.348 1.03 . . . . 0.0 111.149 173.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.2 127.9 34.01 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.178 -1.374 . . . . 0.0 112.335 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.25 147.69 6.65 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-N 115.145 -0.934 . . . . 0.0 110.093 179.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.84 25.13 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 175.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.18 -179.19 3.77 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 178.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 4.1 mtt -137.13 161.01 37.31 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 3.0 p -136.61 156.54 48.41 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 118.105 -1.438 . . . . 0.0 108.826 177.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 mp -92.74 116.14 28.75 Favored 'General case' 0 N--CA 1.437 -1.107 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 177.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.37 115.87 29.43 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 106.484 -1.673 . . . . 0.0 106.484 172.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.23 -116.04 8.62 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.5 m -113.98 14.46 18.43 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.949 178.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . 0.412 ' O ' HG23 ' C' ' 39' ' ' THR . 12.1 p -111.94 122.52 48.0 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.47 ' O ' HG13 ' C' ' 38' ' ' VAL . 7.5 p -76.05 119.96 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 107.156 -1.424 . . . . 0.0 107.156 174.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . 0.412 HG23 ' O ' ' C' ' 37' ' ' THR . 1.2 p -124.14 119.33 26.48 Favored Pre-proline 0 C--O 1.245 0.856 0 N-CA-C 110.116 -0.327 . . . . 0.0 110.116 -173.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.93 134.89 59.51 Favored 'Trans proline' 0 N--CA 1.459 -0.515 0 C-N-CA 117.9 -0.934 . . . . 0.0 111.872 173.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 40.6 t0 -85.74 132.19 34.18 Favored 'General case' 0 C--N 1.318 -0.785 0 N-CA-C 105.275 -2.12 . . . . 0.0 105.275 172.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.99 -11.19 59.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.646 0.98 . . . . 0.0 113.646 -172.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 40.0 mtm180 -67.03 144.42 56.17 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -173.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -68.18 125.6 26.9 Favored 'General case' 0 N--CA 1.442 -0.843 0 N-CA-C 108.204 -1.036 . . . . 0.0 108.204 171.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.26 21.57 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.249 1.472 . . . . 0.0 115.316 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -128.41 124.36 36.1 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.31 -1.737 . . . . 0.0 106.31 175.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 9.9 p -90.97 137.63 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.491 -0.929 . . . . 0.0 108.491 164.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -151.94 157.82 42.3 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.991 0.9 . . . . 0.0 113.055 175.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 55.1 mt -118.84 131.05 72.75 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 113.593 -1.64 . . . . 0.0 108.378 174.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 6.8 tt0 -134.07 137.63 44.78 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 -178.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -100.17 122.12 42.5 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 170.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 12.0 p -84.08 171.1 13.2 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.267 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -10.44 59.78 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -82.67 7.48 14.71 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.231 -0.187 . . . . 0.0 111.028 170.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t 73.87 -1.38 3.08 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.386 1.474 . . . . 0.0 114.766 -177.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.87 149.87 39.39 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-O 122.231 1.015 . . . . 0.0 113.015 179.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mm -102.16 129.14 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.138 -177.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 79.7 m-70 -117.64 125.21 50.33 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.052 -1.092 . . . . 0.0 108.052 -176.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 19.0 t80 -98.7 119.01 36.71 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 171.202 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . 0.544 ' C ' ' CD1' ' C' ' 61' ' ' TRP . 62.3 m -127.78 156.82 41.87 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . 0.803 ' HZ2' HD13 ' C' ' 105' ' ' LEU . 0.4 OUTLIER -130.44 128.22 40.85 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.711 169.358 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.3 ttpp -120.61 134.33 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.046 -1.434 . . . . 0.0 109.775 -176.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -74.34 115.34 13.75 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 107.723 -1.214 . . . . 0.0 107.723 173.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 4.8 ttp180 -64.06 -32.34 73.86 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.607 1.336 . . . . 0.0 114.607 -176.199 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.5 -46.26 55.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -175.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 1.9 m -91.37 -20.47 21.8 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.555 -176.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.53 2.67 60.58 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.743 -0.476 . . . . 0.0 113.748 -171.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.47 130.01 39.68 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.711 1.256 . . . . 0.0 113.172 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 5.4 t -84.15 109.05 17.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 108.62 -0.881 . . . . 0.0 108.62 173.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -94.42 -28.92 15.24 Favored 'General case' 0 C--O 1.206 -1.185 0 C-N-CA 119.689 -0.804 . . . . 0.0 110.96 -171.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . 0.512 ' CB ' ' CE3' ' C' ' 61' ' ' TRP . 8.5 t70 -121.92 135.58 54.88 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.865 0.84 . . . . 0.0 109.441 177.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 52.6 t0 -154.98 103.26 2.39 Favored 'General case' 0 CA--C 1.498 -1.023 0 N-CA-C 104.492 -2.41 . . . . 0.0 104.492 -178.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.0 123.29 45.35 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.257 -174.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 pt -75.83 124.23 33.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.355 1.074 . . . . 0.0 111.75 168.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 1.3 mt -123.03 130.31 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.358 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.633 -174.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.21 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.45 1.093 . . . . 0.0 110.902 173.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_exo -54.24 133.85 57.78 Favored 'Trans proline' 0 CA--C 1.531 0.343 0 C-N-CA 122.889 2.393 . . . . 0.0 111.346 -179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.56 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.613 2.079 . . . . 0.0 116.613 -175.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -70.42 -33.6 71.53 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.038 0.835 . . . . 0.0 109.602 176.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 23.6 p -154.9 168.12 28.01 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.427 -1.309 . . . . 0.0 113.601 -173.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . 0.417 ' HB2' ' HZ2' ' C' ' 97' ' ' LYS . 15.6 mm-40 -133.38 139.37 46.75 Favored 'General case' 0 N--CA 1.441 -0.904 0 CA-C-N 113.434 -1.712 . . . . 0.0 107.037 -178.22 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.423 ' CE2' ' HD1' ' C' ' 107' ' ' PHE . 6.0 t80 -106.75 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 177.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -148.54 156.54 42.57 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.813 1.412 . . . . 0.0 114.813 -177.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -67.78 142.86 56.09 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.379 177.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 64.6 t -94.33 98.3 2.87 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.211 -1.774 . . . . 0.0 106.211 171.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -60.94 -31.94 91.98 Favored 'Trans proline' 0 C--N 1.328 -0.548 0 N-CA-C 117.807 2.195 . . . . 0.0 117.807 -167.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.15 8.6 34.84 Favored 'General case' 0 C--N 1.322 -0.624 0 C-N-CA 117.956 -1.498 . . . . 0.0 112.19 -164.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . 0.419 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 25.1 p -85.06 119.66 72.75 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.475 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.97 -19.86 34.2 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.97 0.984 . . . . 0.0 114.39 -173.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.3 m -65.53 -34.67 78.81 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.457 0.571 . . . . 0.0 110.035 178.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.52 13.0 64.86 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.446 -0.797 . . . . 0.0 111.535 -172.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -121.02 17.13 11.69 Favored 'General case' 0 CA--C 1.513 -0.464 0 N-CA-C 116.232 1.938 . . . . 0.0 116.232 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 93.2 t -97.08 133.48 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.154 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 173.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 41.8 m-85 -125.05 151.79 45.16 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.446 1.716 . . . . 0.0 110.458 178.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.04 135.25 64.14 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.828 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 9.1 tt -95.35 108.14 20.3 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 169.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . 0.417 ' HZ2' ' HB2' ' C' ' 81' ' ' GLU . 2.4 mtmp? -109.28 125.2 52.04 Favored 'General case' 0 CA--C 1.485 -1.543 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 -171.139 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -84.84 115.66 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.127 0.892 . . . . 0.0 109.17 176.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . 0.402 ' CB ' ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -63.47 -25.12 68.12 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.984 -1.007 . . . . 0.0 111.398 -169.597 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.23 115.17 28.89 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 173.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 32.2 t -91.39 9.09 33.13 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.007 -0.702 . . . . 0.0 110.575 179.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.71 129.25 38.64 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 117.942 -1.503 . . . . 0.0 110.501 -165.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 141.75 46.13 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.408 -0.815 . . . . 0.0 109.965 175.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . 0.803 HD13 ' HZ2' ' C' ' 61' ' ' TRP . 0.8 OUTLIER -124.56 126.11 45.28 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 105.898 -1.889 . . . . 0.0 105.898 171.922 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . 0.46 ' O ' ' CD2' ' C' ' 107' ' ' PHE . 1.7 m-85 -100.84 143.66 30.73 Favored 'General case' 0 N--CA 1.441 -0.915 0 O-C-N 124.748 1.28 . . . . 0.0 110.316 -177.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . 0.476 ' CE2' ' CZ2' ' C' ' 61' ' ' TRP . 4.0 m-85 -137.08 156.72 48.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.307 178.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.5 126.57 35.29 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.565 -0.854 . . . . 0.0 110.408 175.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 27.3 mmt -62.68 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.258 -174.67 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -118.9 4.03 11.5 Favored 'General case' 0 N--CA 1.429 -1.496 0 CA-C-N 114.564 -1.198 . . . . 0.0 110.243 179.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.27 135.87 93.81 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.147 1.451 . . . . 0.0 108.664 172.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.29 -41.35 42.64 Favored 'Trans proline' 0 C--O 1.245 0.842 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.422 -174.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.13 146.94 24.25 Favored 'General case' 0 C--O 1.22 -0.465 0 C-N-CA 120.474 -0.491 . . . . 0.0 110.498 173.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.7 p -83.43 -9.26 59.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.211 178.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -33.82 56.06 Favored 'General case' 0 C--O 1.222 -0.382 0 C-N-CA 123.504 0.722 . . . . 0.0 112.792 -169.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.25 5.88 37.82 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -56.86 -48.8 77.27 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.013 -1.075 . . . . 0.0 110.332 -177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.89 -32.15 70.33 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 119.346 -0.942 . . . . 0.0 110.522 -173.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.32 -44.07 80.05 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 120.917 0.389 . . . . 0.0 110.875 175.478 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.6 t-80 -55.6 -45.85 77.38 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.98 -1.075 . . . . 0.0 112.35 173.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 1.9 t -60.53 -43.18 97.42 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 121.684 0.754 . . . . 0.0 110.348 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 9.1 mmp_? -61.8 -43.53 98.66 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.127 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -64.16 -42.33 96.77 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.886 0.698 . . . . 0.0 112.886 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 3.4 t -52.33 -51.91 29.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.38 175.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . 0.508 ' HA ' HD23 ' C' ' 128' ' ' LEU . 2.6 t30 -60.3 -39.57 87.41 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -178.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -65.32 -46.0 82.07 Favored 'General case' 0 CA--C 1.513 -0.445 0 C-N-CA 120.851 -0.34 . . . . 0.0 111.445 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 69.6 m-85 -79.0 -24.4 43.75 Favored 'General case' 0 C--O 1.216 -0.701 0 C-N-CA 119.437 -0.905 . . . . 0.0 112.47 -174.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.12 -36.13 41.1 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.759 -0.776 . . . . 0.0 112.19 174.527 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . 0.458 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.73 -11.1 14.44 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -168.547 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -141.2 71.84 27.27 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 169.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -46.66 167.59 0.06 OUTLIER 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.698 1.599 . . . . 0.0 111.672 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.0 Cg_exo . . . . . 0 C--N 1.289 -2.583 0 C-N-CA 122.545 2.163 . . . . 0.0 111.592 179.829 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 mmt . . . . . 0 CA--C 1.549 0.932 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -91.16 138.21 31.77 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 126.834 2.584 . . . . 0.0 108.864 178.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.786 HD11 HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -131.18 162.95 38.31 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.392 0 N-CA-C 105.614 -1.995 . . . . 0.0 105.614 173.453 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.511 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -115.94 140.2 49.48 Favored 'General case' 0 N--CA 1.514 2.746 1 O-C-N 130.614 4.946 . . . . 0.0 108.749 179.639 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.05 114.22 44.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.795 0 CA-C-O 113.471 -3.157 . . . . 0.0 105.588 175.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.13 127.48 41.21 Favored 'General case' 0 N--CA 1.507 2.376 1 O-C-N 129.38 4.175 . . . . 0.0 107.951 -178.147 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 56.7 p -99.55 170.77 8.36 Favored 'General case' 0 C--N 1.353 0.749 0 CA-C-O 117.885 -1.055 . . . . 0.0 109.389 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -73.41 -6.86 48.98 Favored 'General case' 0 N--CA 1.481 1.12 0 O-C-N 124.123 0.889 . . . . 0.0 112.664 -177.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 13.6 t -101.66 15.16 29.81 Favored 'General case' 0 N--CA 1.501 2.121 0 C-N-CA 115.718 -2.393 . . . . 0.0 111.953 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.25 16.79 80.2 Favored Glycine 0 C--N 1.297 -1.613 0 O-C-N 120.28 -1.512 . . . . 0.0 116.1 179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.8 tptt -96.52 138.08 34.64 Favored 'General case' 0 C--N 1.309 -1.17 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 174.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.8 p -120.04 131.59 55.17 Favored 'General case' 0 N--CA 1.476 0.85 0 O-C-N 126.623 2.452 . . . . 0.0 105.926 176.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -109.41 141.92 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 O-C-N 127.639 3.087 . . . . 0.0 108.932 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.47 139.71 36.76 Favored 'General case' 0 N--CA 1.495 1.792 0 C-N-CA 117.09 -1.844 . . . . 0.0 108.148 178.135 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -126.42 153.97 44.28 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.325 -179.21 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -111.73 121.1 44.18 Favored 'General case' 0 N--CA 1.5 2.028 1 O-C-N 129.255 4.097 . . . . 0.0 103.665 173.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -138.97 170.57 16.01 Favored 'Isoleucine or valine' 0 C--O 1.254 1.34 0 O-C-N 127.625 3.078 . . . . 0.0 111.201 -177.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -119.99 144.5 37.68 Favored Pre-proline 0 C--N 1.314 -0.936 0 CA-C-N 112.298 -2.228 . . . . 0.0 106.363 174.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -55.03 -24.33 39.46 Favored 'Trans proline' 0 C--N 1.32 -0.958 0 C-N-CA 122.515 2.143 . . . . 0.0 111.913 177.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 p -79.97 -8.22 59.22 Favored 'General case' 0 C--O 1.243 0.723 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.944 -177.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.91 148.41 47.77 Favored 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 117.436 -1.706 . . . . 0.0 109.867 -179.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.1 p -83.8 160.47 21.2 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 175.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.737 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.7 mp -61.41 -37.12 76.97 Favored 'Isoleucine or valine' 0 C--O 1.246 0.891 0 O-C-N 127.105 2.753 . . . . 0.0 110.239 175.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -57.56 -40.15 78.26 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.346 -0.846 . . . . 0.0 110.838 177.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.27 -41.93 80.34 Favored 'General case' 0 C--O 1.262 1.725 0 O-C-N 121.923 -0.485 . . . . 0.0 110.956 -178.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG21 HD11 ' A' ' 56' ' ' LEU . 12.3 t -58.29 -46.29 89.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 O-C-N 124.508 1.13 . . . . 0.0 109.262 178.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.8 mtpp -60.87 -37.94 83.87 Favored 'General case' 0 C--O 1.258 1.536 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.741 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.17 87.62 Favored 'General case' 0 C--O 1.277 2.522 0 CA-C-N 118.101 0.409 . . . . 0.0 111.15 176.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -37.42 87.4 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-O 123.027 1.394 . . . . 0.0 110.751 176.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.455 HG22 ' CG2' ' A' ' 36' ' ' ILE . 71.5 mt -69.98 -39.57 77.59 Favored 'Isoleucine or valine' 0 C--O 1.252 1.194 0 N-CA-C 106.72 -1.585 . . . . 0.0 106.72 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.15 -48.82 78.4 Favored 'General case' 0 N--CA 1.495 1.824 0 CA-C-O 125.568 2.604 . . . . 0.0 109.102 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.2 -41.76 65.62 Favored 'General case' 0 C--O 1.253 1.272 0 CA-C-N 113.426 -1.715 . . . . 0.0 111.944 179.056 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 0.0 OUTLIER -93.61 -24.21 18.0 Favored 'General case' 0 C--O 1.28 2.704 0 N-CA-C 117.139 2.274 . . . . 0.0 117.139 -175.841 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -123.42 -6.45 8.17 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-N 123.154 2.706 . . . . 0.0 114.22 179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.65 90.0 Favored Glycine 0 CA--C 1.478 -2.237 0 N-CA-C 118.889 2.315 . . . . 0.0 118.889 176.447 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.455 ' CG2' HG22 ' A' ' 30' ' ' ILE . 2.5 tp -79.75 124.87 83.27 Favored Pre-proline 0 C--O 1.244 0.799 0 C-N-CA 118.812 -1.155 . . . . 0.0 110.939 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 79.9 Cg_exo -57.02 136.81 78.94 Favored 'Trans proline' 0 C--O 1.256 1.403 0 C-N-CA 123.365 2.71 . . . . 0.0 110.769 178.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.442 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.6 Cg_exo -57.14 -31.96 92.0 Favored 'Trans proline' 0 C--O 1.262 1.71 0 O-C-N 123.014 1.008 . . . . 0.0 113.637 -179.46 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.47 -15.41 63.54 Favored 'General case' 0 C--O 1.261 1.69 0 O-C-N 119.847 -1.783 . . . . 0.0 112.217 -177.424 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -95.86 -10.34 29.15 Favored 'General case' 0 N--CA 1.484 1.262 0 O-C-N 120.689 -1.257 . . . . 0.0 112.064 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -84.95 129.61 34.77 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 124.393 2.044 . . . . 0.0 115.738 -177.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.48 ' HB2' HG13 ' A' ' 70' ' ' VAL . 0.0 OUTLIER -120.99 116.06 24.36 Favored 'General case' 0 C--O 1.3 3.752 0 N-CA-C 104.957 -2.238 . . . . 0.0 104.957 172.016 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.467 ' C ' HD13 ' A' ' 44' ' ' ILE . 4.5 mm? -103.54 130.2 50.9 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-N 119.546 1.066 . . . . 0.0 109.933 -177.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.467 HD13 ' C ' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -122.0 131.94 72.04 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.794 0 O-C-N 125.247 1.592 . . . . 0.0 111.922 -177.61 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -144.44 129.61 18.66 Favored 'General case' 0 C--N 1.361 1.078 0 N-CA-C 105.336 -2.098 . . . . 0.0 105.336 177.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.07 19.68 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 112.196 -2.275 . . . . 0.0 110.725 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.67 21.75 60.99 Favored Glycine 0 N--CA 1.431 -1.658 0 C-N-CA 128.625 3.012 . . . . 0.0 117.472 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -115.13 142.8 46.16 Favored 'General case' 0 C--N 1.308 -1.228 0 N-CA-C 107.071 -1.455 . . . . 0.0 107.071 177.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.81 130.26 34.6 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 103.819 -2.66 . . . . 0.0 103.819 174.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -79.45 138.1 37.47 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.193 -175.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.498 ' O ' HD13 ' A' ' 23' ' ' ILE . 1.4 tt0 -101.77 140.15 36.45 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 125.038 1.461 . . . . 0.0 109.927 -177.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -47.97 -42.51 27.85 Favored 'General case' 0 C--O 1.264 1.845 0 N-CA-C 120.85 3.648 . . . . 0.0 120.85 -175.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.95 85.37 Favored Glycine 0 CA--C 1.489 -1.539 0 N-CA-C 116.264 1.266 . . . . 0.0 116.264 -177.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.737 ' O ' HD12 ' A' ' 23' ' ' ILE . 62.3 mtt180 -85.28 165.32 17.42 Favored 'General case' 0 C--O 1.251 1.184 0 O-C-N 119.709 -2.054 . . . . 0.0 108.12 176.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 1.1 p -104.52 164.79 11.5 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.606 -1.628 . . . . 0.0 106.606 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.407 HD11 HG21 ' A' ' 26' ' ' VAL . 0.5 OUTLIER -61.54 -36.07 79.55 Favored 'General case' 0 C--O 1.202 -1.397 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 177.277 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.0 p -64.23 -29.43 70.54 Favored 'General case' 0 C--O 1.268 2.042 0 C-N-CA 117.307 -1.757 . . . . 0.0 112.226 -179.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -55.49 -39.53 70.54 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 122.513 1.149 . . . . 0.0 110.743 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -90.88 4.75 51.0 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 117.67 -1.157 . . . . 0.0 112.974 179.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 58.0 45.2 18.37 Favored 'General case' 0 N--CA 1.478 0.966 0 CA-C-N 121.626 2.012 . . . . 0.0 111.271 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.786 HG22 HD11 ' A' ' 3' ' ' ILE . 7.8 mt -88.69 116.48 30.43 Favored 'Isoleucine or valine' 0 C--O 1.267 1.989 0 CA-C-O 115.133 -2.365 . . . . 0.0 106.189 175.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.51 169.68 8.39 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 126.127 2.142 . . . . 0.0 109.322 -176.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.88 143.0 27.35 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 123.224 1.488 . . . . 0.0 109.115 -176.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 67.02 19.17 10.57 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 117.899 2.555 . . . . 0.0 117.899 179.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.16 159.49 34.58 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 107.264 -1.384 . . . . 0.0 107.264 174.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 39.9 p -119.14 126.73 52.3 Favored 'General case' 0 C--N 1.308 -1.209 0 CA-C-O 118.199 -0.905 . . . . 0.0 108.788 175.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.8 mp -103.1 154.49 19.23 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.815 -2.517 . . . . 0.0 105.639 175.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 t-80 -105.61 135.71 46.52 Favored 'General case' 0 C--N 1.287 -2.113 0 O-C-N 127.283 2.864 . . . . 0.0 105.888 177.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.4 tt -106.93 115.85 30.89 Favored 'General case' 0 C--O 1.285 2.965 0 CA-C-O 117.584 -1.198 . . . . 0.0 111.434 176.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.48 HG13 ' HB2' ' A' ' 42' ' ' ARG . 7.7 p -108.11 139.88 28.64 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.879 0 N-CA-C 103.561 -2.755 . . . . 0.0 103.561 175.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.09 138.82 33.17 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 121.305 0.574 . . . . 0.0 109.816 178.311 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -78.63 -24.42 45.28 Favored 'General case' 0 C--N 1.28 -2.452 0 CA-C-O 113.234 -3.27 . . . . 0.0 105.66 178.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 2.8 tp -51.88 145.18 10.2 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 125.918 2.011 . . . . 0.0 109.591 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -87.43 163.29 16.82 Favored 'General case' 0 C--O 1.245 0.847 0 CA-C-N 113.614 -1.63 . . . . 0.0 108.833 -179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.64 -112.83 0.14 Allowed Glycine 0 C--O 1.246 0.891 0 CA-C-N 114.577 -1.192 . . . . 0.0 115.101 -179.016 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.513 0 N-CA-C 108.328 -1.909 . . . . 0.0 108.328 179.452 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.941 0 N-CA-C 107.252 -1.388 . . . . 0.0 107.252 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -90.84 138.41 31.61 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 127.207 2.817 . . . . 0.0 108.887 178.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -131.12 163.06 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.275 0 CA-C-O 115.83 -2.033 . . . . 0.0 105.891 173.242 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 1.187 ' CZ ' ' HB2' ' B' ' 6' ' ' LYS . 0.0 OUTLIER -115.99 140.13 49.57 Favored 'General case' 0 N--CA 1.514 2.727 1 O-C-N 130.526 4.891 . . . . 0.0 108.591 179.785 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.402 ' O ' HG22 ' B' ' 5' ' ' VAL . 0.1 OUTLIER -117.91 114.09 44.25 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-O 113.502 -3.142 . . . . 0.0 105.777 175.498 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 1.187 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 10.9 tttt -95.13 127.67 41.36 Favored 'General case' 0 N--CA 1.502 2.174 1 O-C-N 129.14 4.025 . . . . 0.0 108.163 -178.138 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 29.2 p -99.62 170.85 8.3 Favored 'General case' 0 C--N 1.352 0.688 0 CA-C-O 117.772 -1.109 . . . . 0.0 109.26 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.64 HD22 ' O ' ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.39 -7.07 50.14 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 124.069 0.855 . . . . 0.0 112.829 -178.283 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.56 ' N ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -101.14 14.82 30.73 Favored 'General case' 0 N--CA 1.505 2.308 0 C-N-CA 115.68 -2.408 . . . . 0.0 112.063 179.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.45 16.74 80.04 Favored Glycine 0 C--N 1.296 -1.678 0 O-C-N 120.118 -1.614 . . . . 0.0 116.047 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.3 137.86 34.74 Favored 'General case' 0 C--N 1.306 -1.283 0 N-CA-C 105.505 -2.035 . . . . 0.0 105.505 174.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 0.622 ' HB ' ' CE1' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -119.88 131.86 55.38 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 126.509 2.381 . . . . 0.0 106.266 176.122 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.5 mp -109.42 141.76 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 127.726 3.141 . . . . 0.0 109.156 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 5.0 t -101.22 140.0 36.12 Favored 'General case' 0 N--CA 1.497 1.904 0 C-N-CA 116.931 -1.908 . . . . 0.0 108.31 177.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -126.58 154.04 44.45 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 115.476 -2.202 . . . . 0.0 108.372 -179.316 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -111.81 121.2 44.41 Favored 'General case' 0 N--CA 1.495 1.814 1 O-C-N 129.28 4.112 . . . . 0.0 103.543 174.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 t -139.03 170.68 15.8 Favored 'Isoleucine or valine' 0 C--O 1.253 1.274 0 O-C-N 127.823 3.202 . . . . 0.0 111.277 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -120.09 144.53 37.93 Favored Pre-proline 0 C--N 1.312 -1.042 0 CA-C-N 112.1 -2.318 . . . . 0.0 106.413 174.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_exo -54.86 -24.71 39.97 Favored 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 122.717 2.278 . . . . 0.0 111.563 177.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 3.3 m -79.91 -8.19 59.18 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 118.069 -0.967 . . . . 0.0 110.922 -177.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.01 148.58 47.48 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 117.264 -1.775 . . . . 0.0 109.737 -178.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.8 p -83.9 160.43 21.11 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 175.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 1.24 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.38 -36.75 75.05 Favored 'Isoleucine or valine' 0 C--O 1.24 0.577 0 O-C-N 126.968 2.667 . . . . 0.0 110.392 175.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -43.01 77.89 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.341 -1.474 . . . . 0.0 110.991 176.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -64.3 -44.53 91.36 Favored 'General case' 0 C--O 1.249 1.064 0 C-N-CA 124.181 0.993 . . . . 0.0 111.471 -179.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.6 t -58.56 -46.42 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 114.28 -1.327 . . . . 0.0 108.86 179.011 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -60.75 -37.89 83.35 Favored 'General case' 0 C--O 1.255 1.381 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.853 -179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.31 -38.03 86.76 Favored 'General case' 0 C--O 1.279 2.645 0 O-C-N 123.486 0.492 . . . . 0.0 111.273 176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -64.08 -37.4 87.3 Favored 'General case' 0 C--O 1.254 1.301 0 O-C-N 120.449 -1.407 . . . . 0.0 110.844 175.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -69.75 -39.73 78.3 Favored 'Isoleucine or valine' 0 C--O 1.253 1.25 0 N-CA-C 106.833 -1.543 . . . . 0.0 106.833 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -48.72 79.05 Favored 'General case' 0 N--CA 1.498 1.969 0 CA-C-O 125.538 2.59 . . . . 0.0 108.975 179.639 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.47 -41.77 66.55 Favored 'General case' 0 C--O 1.258 1.514 0 CA-C-N 113.696 -1.593 . . . . 0.0 111.818 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 2.4 mmmp? -93.4 -24.37 18.09 Favored 'General case' 0 C--O 1.281 2.722 0 N-CA-C 117.172 2.286 . . . . 0.0 117.172 -175.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.67 -6.37 8.04 Favored 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 122.962 2.619 . . . . 0.0 113.752 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.1 5.6 90.0 Favored Glycine 0 CA--C 1.475 -2.436 0 N-CA-C 118.746 2.258 . . . . 0.0 118.746 176.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.481 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 5.0 mm -79.89 125.13 82.67 Favored Pre-proline 0 C--O 1.242 0.681 0 C-N-CA 118.701 -1.2 . . . . 0.0 111.056 179.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.481 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.5 Cg_exo -57.12 136.95 79.6 Favored 'Trans proline' 0 C--O 1.257 1.431 0 C-N-CA 122.988 2.459 . . . . 0.0 110.866 178.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -57.11 -32.29 92.87 Favored 'Trans proline' 0 C--O 1.262 1.704 0 O-C-N 123.16 1.084 . . . . 0.0 113.431 -179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.25 -15.53 63.61 Favored 'General case' 0 C--O 1.263 1.813 0 O-C-N 119.913 -1.742 . . . . 0.0 112.306 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.669 ' HB3' HD21 ' B' ' 71' ' ' LEU . 0.5 OUTLIER -95.55 -10.61 29.17 Favored 'General case' 0 N--CA 1.481 1.097 0 O-C-N 120.466 -1.396 . . . . 0.0 112.225 178.44 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 37.4 tt0 -84.8 129.64 34.79 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 124.199 1.952 . . . . 0.0 115.733 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.564 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 14.6 mmp_? -121.2 116.09 24.26 Favored 'General case' 0 C--O 1.299 3.676 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 172.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 12.9 tp -103.56 130.3 50.95 Favored 'General case' 0 N--CA 1.484 1.236 0 CA-C-N 119.506 1.048 . . . . 0.0 110.013 -177.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mt -122.03 131.56 72.88 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.777 0 O-C-N 125.16 1.538 . . . . 0.0 112.009 -177.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -144.21 129.83 19.12 Favored 'General case' 0 C--N 1.357 0.933 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 177.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.21 45.87 19.9 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 111.974 -2.376 . . . . 0.0 110.65 177.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.95 20.21 59.78 Favored Glycine 0 C--N 1.299 -1.493 0 C-N-CA 128.271 2.844 . . . . 0.0 117.283 -179.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.86 143.8 39.23 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 115.346 -2.264 . . . . 0.0 110.987 174.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -87.17 130.29 34.6 Favored 'General case' 0 C--N 1.281 -2.387 0 N-CA-C 104.091 -2.559 . . . . 0.0 104.091 173.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.46 138.38 37.56 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-O 117.594 -1.193 . . . . 0.0 110.144 -175.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 1.24 ' O ' HG21 ' B' ' 23' ' ' ILE . 69.6 tt0 -101.92 139.92 36.91 Favored 'General case' 0 N--CA 1.477 0.9 0 O-C-N 125.255 1.597 . . . . 0.0 110.005 -177.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.849 ' O ' HG23 ' B' ' 23' ' ' ILE . 0.3 OUTLIER -48.16 -41.95 28.27 Favored 'General case' 0 C--O 1.262 1.74 0 N-CA-C 120.844 3.646 . . . . 0.0 120.844 -175.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.29 -8.57 85.06 Favored Glycine 0 CA--C 1.492 -1.383 0 N-CA-C 115.96 1.144 . . . . 0.0 115.96 -177.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.799 ' O ' HG22 ' B' ' 23' ' ' ILE . 0.2 OUTLIER -85.55 165.37 17.14 Favored 'General case' 0 C--O 1.251 1.132 0 O-C-N 120.077 -1.837 . . . . 0.0 108.079 176.364 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.457 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 3.9 p -104.38 164.48 11.7 Favored 'General case' 0 C--N 1.311 -1.099 0 N-CA-C 106.792 -1.559 . . . . 0.0 106.792 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.05 -36.38 79.44 Favored 'General case' 0 C--O 1.202 -1.44 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 177.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 2.8 p -63.74 -29.73 70.91 Favored 'General case' 0 C--O 1.267 1.995 0 C-N-CA 117.294 -1.763 . . . . 0.0 112.208 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 68.5 m-20 -55.64 -39.03 70.32 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-O 122.494 1.14 . . . . 0.0 110.74 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -91.14 4.51 52.02 Favored 'General case' 0 C--N 1.301 -1.517 0 CA-C-O 117.61 -1.186 . . . . 0.0 112.832 179.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 57.88 45.42 18.42 Favored 'General case' 0 C--O 1.248 1.001 0 CA-C-N 121.726 2.057 . . . . 0.0 111.25 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 96.9 mt -88.81 116.19 30.0 Favored 'Isoleucine or valine' 0 C--O 1.27 2.144 0 CA-C-O 115.135 -2.364 . . . . 0.0 106.193 175.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 9.6 mm100 -103.24 169.5 8.51 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 126.067 2.104 . . . . 0.0 109.758 -176.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 142.98 27.18 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 123.14 1.447 . . . . 0.0 109.266 -176.653 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 66.93 19.12 10.65 Favored 'General case' 0 C--O 1.256 1.441 0 N-CA-C 117.841 2.534 . . . . 0.0 117.841 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 1.6 t -71.14 159.59 34.41 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 174.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . 0.757 ' HB ' ' CE2' ' B' ' 4' ' ' PHE . 66.2 p -119.1 126.65 52.15 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 118.217 -0.897 . . . . 0.0 108.814 175.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -103.18 154.54 19.21 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-O 114.61 -2.614 . . . . 0.0 105.726 175.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 32.7 m-70 -105.58 135.78 46.37 Favored 'General case' 0 C--N 1.282 -2.332 0 O-C-N 127.709 3.131 . . . . 0.0 105.781 177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -107.09 115.86 30.91 Favored 'General case' 0 C--O 1.283 2.831 0 CA-C-O 117.638 -1.172 . . . . 0.0 111.411 176.637 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.14 139.99 28.28 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 N-CA-C 103.462 -2.792 . . . . 0.0 103.462 175.24 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.669 HD21 ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -96.17 -83.43 0.37 Allowed 'General case' 0 N--CA 1.478 0.932 0 CA-C-O 121.044 0.45 . . . . 0.0 109.849 178.374 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.403 ' CB ' ' HA2' ' C' ' 101' ' ' GLY . 0.0 OUTLIER 65.68 104.37 0.04 OUTLIER 'General case' 0 C--N 1.278 -2.524 0 CA-C-O 113.389 -3.196 . . . . 0.0 105.449 179.583 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.0 mp -59.41 -85.71 0.01 OUTLIER 'General case' 0 C--N 1.295 -1.799 0 O-C-N 125.731 1.895 . . . . 0.0 109.708 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -172.97 -178.7 1.87 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 113.781 -1.554 . . . . 0.0 108.679 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 98.97 138.12 10.16 Favored Glycine 0 C--O 1.245 0.798 0 CA-C-N 114.788 -1.096 . . . . 0.0 115.244 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.439 0 CA-C-O 116.581 -2.233 . . . . 0.0 108.329 179.099 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.511 -0.538 0 CA-C-O 121.984 0.897 . . . . 0.0 110.981 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 29.7 t30 -161.98 56.6 0.25 Allowed 'General case' 0 C--N 1.29 -2.011 0 O-C-N 119.08 -2.263 . . . . 0.0 110.982 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.24 -41.15 5.66 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 126.856 2.062 . . . . 0.0 110.757 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -89.05 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.558 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.2 -39.54 75.13 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.885 172.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 56.9 t -144.4 136.03 21.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 C-N-CA 125.244 1.418 . . . . 0.0 107.447 -178.175 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.33 148.06 34.27 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.641 -0.824 . . . . 0.0 110.524 165.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -161.03 155.28 22.96 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.307 1.004 . . . . 0.0 111.196 173.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 39.4 mtm180 -72.2 127.81 33.72 Favored 'General case' 0 C--O 1.255 1.363 0 CA-C-N 114.207 -1.36 . . . . 0.0 112.295 178.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.411 ' HB3' HG23 ' C' ' 47' ' ' VAL . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.203 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.098 179.166 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.98 164.8 25.13 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.09 -179.22 3.79 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 178.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . 0.677 ' HG2' ' HB2' ' C' ' 106' ' ' PHE . 0.0 OUTLIER -137.11 161.06 37.15 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.618 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . 0.504 ' N ' ' SD ' ' C' ' 31' ' ' MET . 70.2 m -136.65 156.51 48.45 Favored 'General case' 0 C--N 1.318 -0.771 0 C-N-CA 118.112 -1.435 . . . . 0.0 108.804 177.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.64 116.16 28.76 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.946 -1.872 . . . . 0.0 105.946 177.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.4 mmtt -112.41 115.84 29.35 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.513 -1.662 . . . . 0.0 106.513 172.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.23 -116.0 8.57 Favored Glycine 0 N--CA 1.445 -0.704 0 N-CA-C 108.318 -1.913 . . . . 0.0 108.318 -169.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -113.97 14.48 18.45 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.417 -0.392 . . . . 0.0 109.995 178.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.5 m -111.98 122.54 48.04 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -172.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.512 HG23 ' O ' ' C' ' 38' ' ' VAL . 34.3 m -76.11 120.0 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 174.696 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.13 119.37 26.49 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.161 -173.372 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.84 134.83 59.46 Favored 'Trans proline' 0 N--CA 1.459 -0.505 0 CA-C-O 122.383 0.91 . . . . 0.0 111.819 173.43 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.79 132.17 34.17 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.296 -2.113 . . . . 0.0 105.296 172.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.88 -11.33 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -172.3 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.04 144.44 56.15 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 -173.03 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.12 125.58 26.82 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.589 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.24 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.203 1.446 . . . . 0.0 115.337 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -128.41 124.48 36.38 Favored 'General case' 0 N--CA 1.421 -1.917 0 N-CA-C 106.319 -1.734 . . . . 0.0 106.319 175.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . 0.411 HG23 ' HB3' ' C' ' 28' ' ' ALA . 85.2 t -91.05 137.57 21.46 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.146 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 164.673 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 38.7 p90 -151.9 157.84 42.38 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 122.058 0.932 . . . . 0.0 112.99 175.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.43 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 95.3 mt -118.81 131.14 72.46 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.747 0 CA-C-N 113.643 -1.617 . . . . 0.0 108.313 174.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -134.14 137.59 44.62 Favored 'General case' 0 CA--C 1.493 -1.236 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.16 122.05 42.38 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.07 171.1 13.21 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.327 177.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 5.6 p30 -71.49 -10.5 59.86 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.67 -0.812 . . . . 0.0 113.173 -170.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -82.64 7.39 14.86 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.035 170.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 19.0 t 73.89 -1.31 3.1 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 125.399 1.48 . . . . 0.0 114.755 -177.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 56.6 mt -74.91 149.92 39.29 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.084 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mp -102.26 129.04 54.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.162 -0.926 . . . . 0.0 109.191 -177.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.5 m170 -117.52 125.41 50.8 Favored 'General case' 0 CA--C 1.512 -0.486 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 -176.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -98.81 118.92 36.66 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 171.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 81.0 m -127.71 156.89 41.68 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 88.0 t90 -130.43 128.34 41.12 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.573 -1.649 . . . . 0.0 108.71 169.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 28.5 ttmt -120.75 134.25 55.3 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.109 -1.405 . . . . 0.0 109.743 -176.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -74.16 115.31 13.5 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 173.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -64.03 -32.39 73.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.582 1.327 . . . . 0.0 114.582 -176.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 21.6 p -72.55 -46.13 55.92 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.46 -20.51 21.68 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.516 -176.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.71 60.8 Favored Glycine 0 CA--C 1.531 1.043 0 CA-C-O 119.689 -0.506 . . . . 0.0 113.708 -171.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 11.0 t30 -72.5 129.98 39.59 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.646 1.223 . . . . 0.0 113.166 178.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . 0.401 HG22 ' H ' ' C' ' 69' ' ' VAL . 1.1 m -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.444 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -94.55 -28.83 15.21 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.681 -0.808 . . . . 0.0 110.898 -171.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 9.6 t0 -122.0 135.53 54.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.903 0.859 . . . . 0.0 109.386 177.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -154.96 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 7.1 mt -118.12 123.33 45.32 Favored 'General case' 0 N--CA 1.435 -1.195 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.213 -174.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 pp -75.91 124.23 33.57 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.893 0 CA-C-O 122.396 1.093 . . . . 0.0 111.725 168.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.402 HD12 ' HG ' ' C' ' 80' ' ' CYS . 26.1 mm -122.97 130.35 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.632 -1.167 . . . . 0.0 109.615 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -101.2 158.96 30.81 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.489 1.118 . . . . 0.0 110.881 173.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -54.37 133.9 58.46 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.932 2.421 . . . . 0.0 111.282 -179.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.46 6.81 5.89 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -175.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -70.4 -33.54 71.49 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 119.05 0.841 . . . . 0.0 109.603 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.402 ' HG ' HD12 ' C' ' 75' ' ' ILE . 0.8 OUTLIER -154.98 168.13 28.02 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.485 -1.286 . . . . 0.0 113.658 -173.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -133.38 139.3 46.71 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 113.515 -1.675 . . . . 0.0 107.003 -178.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -106.73 124.18 49.23 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 177.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.52 156.47 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.826 1.417 . . . . 0.0 114.826 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -67.82 142.87 56.03 Favored 'General case' 0 N--CA 1.447 -0.603 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 177.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . 0.713 HG21 ' CE2' ' C' ' 106' ' ' PHE . 96.3 t -94.29 98.31 2.86 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.222 -1.77 . . . . 0.0 106.222 171.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -61.02 -31.96 91.73 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.783 2.186 . . . . 0.0 117.783 -167.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.12 8.65 34.54 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.981 -1.488 . . . . 0.0 112.259 -164.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 78.2 m -85.13 119.68 72.71 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_exo -56.93 -19.93 34.23 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 122.995 0.997 . . . . 0.0 114.427 -173.208 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -65.4 -34.69 78.9 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-N 118.426 0.557 . . . . 0.0 110.079 177.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.46 13.03 64.78 Favored Glycine 0 N--CA 1.448 -0.521 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.57 -172.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 31.6 mtp180 -120.93 17.06 11.76 Favored 'General case' 0 CA--C 1.512 -0.5 0 N-CA-C 116.285 1.957 . . . . 0.0 116.285 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 21.7 t -97.05 133.45 38.53 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -125.02 151.76 45.15 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.438 1.711 . . . . 0.0 110.437 178.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 13.1 p -127.0 135.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.929 -0.767 . . . . 0.0 108.929 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 33.5 tp -95.5 108.12 20.33 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.863 -2.273 . . . . 0.0 104.863 169.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -109.23 125.19 51.99 Favored 'General case' 0 CA--C 1.484 -1.559 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 -171.102 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -84.84 115.68 22.88 Favored 'General case' 0 C--O 1.239 0.546 0 O-C-N 124.127 0.892 . . . . 0.0 109.17 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -63.45 -25.16 68.14 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.936 -1.029 . . . . 0.0 111.395 -169.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.22 115.1 28.79 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 173.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . 0.564 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 102.0 172.4 27.6 Favored Glycine 0 N--CA 1.447 -0.582 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -172.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.4 9.0 33.52 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 122.017 -0.696 . . . . 0.0 110.575 179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 6.4 tptp -70.59 129.15 38.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.588 -165.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.08 141.81 46.14 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.892 175.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -124.56 126.15 45.35 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.823 -1.917 . . . . 0.0 105.823 171.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . 0.713 ' CE2' HG21 ' C' ' 85' ' ' VAL . 1.8 m-85 -100.83 143.72 30.65 Favored 'General case' 0 N--CA 1.442 -0.855 0 O-C-N 124.73 1.269 . . . . 0.0 110.362 -177.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -137.08 156.64 48.13 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.251 178.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 14.5 t90 -131.46 126.59 35.42 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.544 -0.863 . . . . 0.0 110.397 174.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.63 137.72 58.33 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.251 -174.714 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -118.8 3.81 11.59 Favored 'General case' 0 N--CA 1.428 -1.57 0 CA-C-N 114.598 -1.183 . . . . 0.0 110.292 179.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -61.21 135.88 93.74 Favored Pre-proline 0 C--O 1.266 1.953 0 CA-C-O 123.068 1.413 . . . . 0.0 108.696 172.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.29 -41.36 42.58 Favored 'Trans proline' 0 C--O 1.245 0.847 0 C-N-CA 117.567 -1.155 . . . . 0.0 112.44 -174.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.03 146.9 24.25 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.0 110.532 173.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 10.9 t -83.39 -9.3 59.12 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.199 178.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -53.57 -33.83 56.17 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.23 5.91 37.87 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 -174.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 20.2 p-10 -56.96 -48.78 77.53 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.94 -1.104 . . . . 0.0 110.225 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -69.77 -32.27 70.68 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.413 -0.915 . . . . 0.0 110.548 -173.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -67.34 -43.98 80.22 Favored 'General case' 0 CA--C 1.553 1.075 0 CA-C-O 120.928 0.394 . . . . 0.0 110.96 175.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -55.58 -45.85 77.3 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.003 -1.061 . . . . 0.0 112.398 173.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 1.4 t -60.62 -43.13 97.85 Favored 'General case' 0 CA--C 1.549 0.936 0 CA-C-O 121.618 0.723 . . . . 0.0 110.297 178.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -43.53 98.67 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-N 115.437 -0.801 . . . . 0.0 109.167 -179.49 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.18 -42.38 96.71 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 178.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 77.5 t -52.31 -51.88 29.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.446 175.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -60.27 -39.57 87.27 Favored 'General case' 0 N--CA 1.447 -0.575 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -178.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.24 -46.07 82.08 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.879 -0.328 . . . . 0.0 111.462 -178.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -78.99 -24.54 43.71 Favored 'General case' 0 C--O 1.217 -0.644 0 C-N-CA 119.492 -0.883 . . . . 0.0 112.298 -174.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . . . . . . . . . 5.7 mp -79.04 -36.14 41.49 Favored 'General case' 0 C--O 1.239 0.531 0 C-N-CA 119.762 -0.775 . . . . 0.0 112.228 174.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -110.73 -11.08 14.44 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 113.033 0.753 . . . . 0.0 113.033 -168.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -141.2 71.84 27.28 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.578 0.955 . . . . 0.0 113.578 169.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . 0.569 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 72.4 Cg_exo -51.68 -44.69 42.73 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.597 1.531 . . . . 0.0 111.581 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . 0.569 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 73.1 Cg_exo . . . . . 0 C--N 1.29 -2.535 0 C-N-CA 122.554 2.169 . . . . 0.0 111.558 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.549 0.933 0 N-CA-C 106.887 -1.524 . . . . 0.0 106.887 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -91.16 138.29 31.71 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 126.836 2.585 . . . . 0.0 108.88 178.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 1.1 pp -131.22 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.415 0 N-CA-C 105.52 -2.03 . . . . 0.0 105.52 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -115.99 140.15 49.55 Favored 'General case' 0 N--CA 1.515 2.802 1 O-C-N 130.567 4.917 . . . . 0.0 108.804 179.565 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 91.4 t -118.05 114.29 44.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-O 113.409 -3.186 . . . . 0.0 105.602 175.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.2 tttp -95.19 127.53 41.32 Favored 'General case' 0 N--CA 1.505 2.287 1 O-C-N 129.374 4.172 . . . . 0.0 107.974 -178.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.409 HG22 HD23 ' A' ' 69' ' ' LEU . 69.6 p -99.66 170.71 8.38 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.865 -1.064 . . . . 0.0 109.28 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.6 mt -73.29 -7.03 49.79 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 124.095 0.872 . . . . 0.0 112.686 -177.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -101.56 15.12 29.88 Favored 'General case' 0 N--CA 1.501 2.115 0 C-N-CA 115.544 -2.462 . . . . 0.0 112.024 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.29 16.83 80.12 Favored Glycine 0 C--N 1.298 -1.574 0 O-C-N 120.197 -1.564 . . . . 0.0 116.124 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.58 138.11 34.65 Favored 'General case' 0 C--N 1.311 -1.091 0 N-CA-C 105.31 -2.107 . . . . 0.0 105.31 174.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.92 131.66 55.28 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 126.607 2.442 . . . . 0.0 105.938 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.4 mp -109.57 141.87 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.685 3.116 . . . . 0.0 108.867 179.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 t -101.29 139.78 36.5 Favored 'General case' 0 N--CA 1.496 1.853 0 C-N-CA 117.142 -1.823 . . . . 0.0 108.251 178.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -126.53 154.02 44.4 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-O 115.507 -2.187 . . . . 0.0 108.24 -179.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -111.75 120.97 43.81 Favored 'General case' 0 N--CA 1.499 2.014 1 O-C-N 129.226 4.079 . . . . 0.0 103.673 173.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.2 m -138.97 170.58 16.0 Favored 'Isoleucine or valine' 0 C--O 1.254 1.309 0 O-C-N 127.549 3.031 . . . . 0.0 111.25 -177.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -119.87 144.48 37.43 Favored Pre-proline 0 C--N 1.314 -0.943 0 CA-C-N 112.39 -2.186 . . . . 0.0 106.362 174.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 65.9 Cg_exo -55.03 -24.3 39.34 Favored 'Trans proline' 0 C--N 1.319 -0.974 0 C-N-CA 122.514 2.143 . . . . 0.0 111.93 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.06 -8.12 59.21 Favored 'General case' 0 C--O 1.243 0.74 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.918 -177.593 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -71.0 148.34 47.73 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 117.519 -1.672 . . . . 0.0 109.753 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.7 p -83.7 160.44 21.31 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 175.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.788 HG12 ' HG ' ' A' ' 50' ' ' LEU . 2.0 mp -61.38 -37.11 76.93 Favored 'Isoleucine or valine' 0 C--O 1.246 0.907 0 O-C-N 127.196 2.81 . . . . 0.0 110.236 175.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -57.57 -40.19 78.4 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.312 -0.867 . . . . 0.0 110.719 177.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.32 -41.88 80.18 Favored 'General case' 0 C--O 1.262 1.735 0 O-C-N 121.883 -0.51 . . . . 0.0 110.948 -178.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 54.0 t -58.21 -46.49 88.64 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.79 0 O-C-N 124.446 1.092 . . . . 0.0 109.143 178.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.416 ' HE3' HD21 ' A' ' 50' ' ' LEU . 4.1 mmtp -60.82 -37.97 83.82 Favored 'General case' 0 C--O 1.258 1.541 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.697 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.15 -38.07 87.21 Favored 'General case' 0 C--O 1.277 2.54 0 CA-C-N 118.121 0.419 . . . . 0.0 111.149 176.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.21 -37.42 87.42 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 123.089 1.423 . . . . 0.0 110.719 176.065 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.1 mt -69.98 -39.52 77.53 Favored 'Isoleucine or valine' 0 C--O 1.251 1.169 0 N-CA-C 106.692 -1.596 . . . . 0.0 106.692 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 2.8 tm0? -62.23 -48.79 78.41 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 125.571 2.605 . . . . 0.0 109.079 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -41.83 65.53 Favored 'General case' 0 C--O 1.253 1.271 0 CA-C-N 113.433 -1.712 . . . . 0.0 111.939 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.318 0.0 OUTLIER -93.51 -24.32 18.03 Favored 'General case' 0 C--O 1.28 2.705 0 N-CA-C 117.233 2.309 . . . . 0.0 117.233 -175.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -123.35 -6.53 8.21 Favored 'General case' 0 C--N 1.303 -1.442 0 CA-C-N 123.056 2.662 . . . . 0.0 114.292 179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.08 5.61 90.0 Favored Glycine 0 CA--C 1.477 -2.287 0 N-CA-C 118.866 2.306 . . . . 0.0 118.866 176.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.433 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 28.8 mm -79.78 124.73 83.28 Favored Pre-proline 0 C--O 1.244 0.812 0 C-N-CA 118.872 -1.131 . . . . 0.0 110.977 179.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 80.1 Cg_exo -56.88 136.86 78.97 Favored 'Trans proline' 0 C--O 1.258 1.489 0 C-N-CA 123.407 2.738 . . . . 0.0 110.808 178.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.4 Cg_exo -57.19 -31.95 92.07 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 123.006 1.003 . . . . 0.0 113.686 -179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -68.49 -15.34 63.51 Favored 'General case' 0 C--O 1.262 1.752 0 O-C-N 119.851 -1.781 . . . . 0.0 112.188 -177.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -95.98 -10.27 29.02 Favored 'General case' 0 N--CA 1.483 1.218 0 O-C-N 120.633 -1.292 . . . . 0.0 112.025 178.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -84.8 129.55 34.8 Favored 'General case' 0 C--N 1.315 -0.929 0 CA-C-O 124.334 2.016 . . . . 0.0 115.685 -177.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -121.03 116.11 24.42 Favored 'General case' 0 C--O 1.3 3.725 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 171.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.778 ' CB ' HD22 ' A' ' 50' ' ' LEU . 1.6 tp -103.59 130.24 50.97 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 119.548 1.067 . . . . 0.0 109.913 -177.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mt -121.98 131.79 72.36 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.841 0 O-C-N 125.135 1.522 . . . . 0.0 111.869 -177.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -144.4 129.58 18.67 Favored 'General case' 0 C--N 1.36 1.047 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 177.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 46.18 19.54 Favored 'General case' 0 C--N 1.31 -1.122 0 CA-C-N 112.197 -2.274 . . . . 0.0 110.696 177.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.41 ' HA3' ' CD2' ' C' ' 98' ' ' PHE . . . 61.51 21.82 60.72 Favored Glycine 0 N--CA 1.431 -1.644 0 C-N-CA 128.759 3.076 . . . . 0.0 117.506 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.8 mttp -115.1 142.78 46.18 Favored 'General case' 0 C--N 1.308 -1.223 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 177.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -85.86 130.31 34.58 Favored 'General case' 0 C--O 1.258 1.522 0 N-CA-C 103.753 -2.684 . . . . 0.0 103.753 174.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.897 ' O ' HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -79.49 138.12 37.45 Favored 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 117.649 -1.167 . . . . 0.0 110.22 -175.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -101.71 140.12 36.43 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 125.067 1.48 . . . . 0.0 109.959 -177.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -48.12 -42.42 29.08 Favored 'General case' 0 C--O 1.264 1.83 0 N-CA-C 120.763 3.616 . . . . 0.0 120.763 -175.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.73 -8.84 85.42 Favored Glycine 0 CA--C 1.49 -1.527 0 N-CA-C 116.191 1.236 . . . . 0.0 116.191 -177.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' O ' HD13 ' A' ' 23' ' ' ILE . 0.7 OUTLIER -85.3 165.32 17.39 Favored 'General case' 0 C--O 1.251 1.133 0 O-C-N 119.73 -2.041 . . . . 0.0 108.09 176.348 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.46 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.6 t -104.45 164.83 11.47 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 106.742 -1.577 . . . . 0.0 106.742 176.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.55 -36.01 79.4 Favored 'General case' 0 C--O 1.202 -1.426 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.429 ' N ' HG23 ' A' ' 55' ' ' THR . 8.3 t -64.13 -29.52 70.64 Favored 'General case' 0 C--O 1.268 2.033 0 C-N-CA 117.293 -1.763 . . . . 0.0 112.217 -179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -55.44 -39.58 70.48 Favored 'General case' 0 N--CA 1.487 1.392 0 CA-C-O 122.451 1.119 . . . . 0.0 110.759 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -90.83 4.72 50.99 Favored 'General case' 0 C--N 1.301 -1.537 0 CA-C-O 117.693 -1.146 . . . . 0.0 113.004 179.168 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.09 45.27 18.01 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 121.59 1.996 . . . . 0.0 111.191 179.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 20.7 mt -88.8 116.49 30.51 Favored 'Isoleucine or valine' 0 C--O 1.266 1.943 0 CA-C-O 115.187 -2.339 . . . . 0.0 106.227 175.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.54 169.66 8.4 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 126.075 2.109 . . . . 0.0 109.334 -176.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.9 ptpt -54.91 142.94 27.71 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 123.256 1.503 . . . . 0.0 109.045 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 67.11 19.1 10.47 Favored 'General case' 0 C--O 1.254 1.32 0 N-CA-C 118.015 2.598 . . . . 0.0 118.015 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.4 t -71.16 159.51 34.54 Favored 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 174.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.16 126.81 52.47 Favored 'General case' 0 C--N 1.309 -1.165 0 CA-C-O 118.173 -0.918 . . . . 0.0 108.786 175.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.1 mt -103.18 154.6 19.15 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 114.779 -2.534 . . . . 0.0 105.627 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -105.66 135.69 46.62 Favored 'General case' 0 C--N 1.287 -2.125 0 O-C-N 127.287 2.867 . . . . 0.0 105.787 177.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.409 HD23 HG22 ' A' ' 7' ' ' THR . 43.2 tp -106.81 115.77 30.77 Favored 'General case' 0 C--O 1.286 3.01 0 CA-C-O 117.533 -1.222 . . . . 0.0 111.551 176.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -108.12 139.95 28.4 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.962 0 N-CA-C 103.538 -2.764 . . . . 0.0 103.538 175.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 13.8 mt -96.06 138.93 32.97 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.191 0.52 . . . . 0.0 109.827 178.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.97 145.26 56.1 Favored 'General case' 0 C--N 1.278 -2.508 0 CA-C-O 113.21 -3.281 . . . . 0.0 105.539 178.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.22 78.94 3.75 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 125.912 2.008 . . . . 0.0 109.567 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 ttt85 60.62 104.08 0.02 OUTLIER 'General case' 0 C--O 1.246 0.876 0 CA-C-N 113.664 -1.607 . . . . 0.0 108.863 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -143.7 129.5 3.71 Favored Glycine 0 C--O 1.246 0.86 0 CA-C-N 114.551 -1.204 . . . . 0.0 115.132 -179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.571 0 N-CA-C 108.21 -1.956 . . . . 0.0 108.21 179.445 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.6 mmt . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 107.323 -1.362 . . . . 0.0 107.323 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? -91.04 138.45 31.59 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 127.105 2.753 . . . . 0.0 108.798 178.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.577 HG23 ' N ' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -131.12 163.01 38.18 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.371 0 CA-C-O 115.75 -2.072 . . . . 0.0 105.841 173.295 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 1.018 ' CE2' ' HB ' ' B' ' 12' ' ' THR . 0.1 OUTLIER -115.93 140.22 49.46 Favored 'General case' 0 N--CA 1.515 2.794 1 O-C-N 130.721 5.013 . . . . 0.0 108.599 179.667 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.738 ' N ' ' CD2' ' B' ' 4' ' ' PHE . 0.2 OUTLIER -117.96 114.12 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.73 0 CA-C-O 113.444 -3.17 . . . . 0.0 105.739 175.498 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.972 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.12 127.6 41.3 Favored 'General case' 0 N--CA 1.502 2.146 1 O-C-N 129.122 4.014 . . . . 0.0 108.153 -178.147 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.813 HG23 ' H ' ' B' ' 9' ' ' THR . 8.3 t -99.54 170.85 8.31 Favored 'General case' 0 C--N 1.351 0.673 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.286 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.38 -7.03 49.93 Favored 'General case' 0 N--CA 1.481 1.124 0 O-C-N 124.114 0.884 . . . . 0.0 112.864 -178.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.813 ' H ' HG23 ' B' ' 7' ' ' THR . 17.2 m -101.2 14.78 30.88 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 115.673 -2.411 . . . . 0.0 111.929 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.53 16.61 80.1 Favored Glycine 0 C--N 1.296 -1.649 0 O-C-N 120.176 -1.577 . . . . 0.0 116.089 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.421 ' O ' HG22 ' B' ' 7' ' ' THR . 1.0 OUTLIER -96.24 137.87 34.69 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 105.526 -2.027 . . . . 0.0 105.526 174.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 1.018 ' HB ' ' CE2' ' B' ' 4' ' ' PHE . 0.5 OUTLIER -119.86 131.99 55.43 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 126.301 2.251 . . . . 0.0 106.198 176.095 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mm -109.55 141.73 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 127.706 3.129 . . . . 0.0 109.093 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 12.9 p -101.13 139.85 36.24 Favored 'General case' 0 N--CA 1.497 1.885 0 C-N-CA 116.989 -1.884 . . . . 0.0 108.447 177.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.4 mt -126.44 154.07 44.18 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 115.512 -2.185 . . . . 0.0 108.463 -179.372 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 43.9 mm-40 -111.84 121.14 44.25 Favored 'General case' 0 N--CA 1.497 1.891 1 O-C-N 129.224 4.077 . . . . 0.0 103.504 174.127 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.682 HG21 HD11 ' B' ' 56' ' ' LEU . 2.5 p -139.04 170.58 15.93 Favored 'Isoleucine or valine' 0 C--O 1.254 1.296 0 O-C-N 127.732 3.145 . . . . 0.0 111.247 -177.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.546 ' H ' HG22 ' B' ' 17' ' ' VAL . 0.2 OUTLIER -120.01 144.65 38.06 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.098 -2.319 . . . . 0.0 106.346 174.597 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.434 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 74.3 Cg_exo -54.94 -24.77 40.85 Favored 'Trans proline' 0 C--N 1.317 -1.085 0 C-N-CA 122.761 2.308 . . . . 0.0 111.516 177.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.85 -8.24 59.18 Favored 'General case' 0 C--O 1.242 0.696 0 CA-C-O 118.007 -0.997 . . . . 0.0 110.901 -177.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.93 148.49 47.67 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 117.298 -1.761 . . . . 0.0 109.759 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.83 160.47 21.17 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 175.714 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.693 HG13 HD12 ' B' ' 50' ' ' LEU . 8.2 mm -61.38 -36.8 75.41 Favored 'Isoleucine or valine' 0 C--O 1.239 0.538 0 O-C-N 126.962 2.664 . . . . 0.0 110.427 175.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.791 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.14 -42.89 77.66 Favored 'General case' 0 C--O 1.252 1.213 0 O-C-N 120.434 -1.416 . . . . 0.0 111.015 176.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -64.5 -44.47 90.83 Favored 'General case' 0 C--O 1.251 1.175 0 C-N-CA 124.217 1.007 . . . . 0.0 111.366 -179.099 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.63 -46.29 90.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.81 1.319 . . . . 0.0 108.957 178.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.804 ' O ' ' NE2' ' B' ' 31' ' ' GLN . 17.0 mttt -60.77 -37.86 83.29 Favored 'General case' 0 C--O 1.255 1.353 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.941 -179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.651 ' HA ' ' HG2' ' B' ' 31' ' ' GLN . . . -66.4 -37.9 86.27 Favored 'General case' 0 C--O 1.278 2.591 0 O-C-N 123.416 0.447 . . . . 0.0 111.313 176.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -64.06 -37.42 87.36 Favored 'General case' 0 C--O 1.255 1.355 0 O-C-N 120.507 -1.37 . . . . 0.0 110.835 175.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.512 HD13 HE22 ' B' ' 41' ' ' GLN . 3.5 mt -69.76 -39.74 78.3 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 N-CA-C 106.788 -1.56 . . . . 0.0 106.788 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . 1.199 ' OE1' ' O ' ' B' ' 36' ' ' ILE . 0.4 OUTLIER -61.96 -48.77 78.88 Favored 'General case' 0 N--CA 1.498 1.937 0 CA-C-O 125.547 2.594 . . . . 0.0 109.036 179.608 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.33 -41.9 66.19 Favored 'General case' 0 C--O 1.256 1.417 0 CA-C-N 113.686 -1.597 . . . . 0.0 111.835 179.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.319 3.1 ttmt -93.49 -24.22 18.08 Favored 'General case' 0 C--O 1.28 2.709 0 N-CA-C 117.251 2.315 . . . . 0.0 117.251 -175.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -123.66 -6.24 8.05 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 122.921 2.6 . . . . 0.0 113.778 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.92 5.65 89.96 Favored Glycine 0 CA--C 1.475 -2.45 0 N-CA-C 118.748 2.259 . . . . 0.0 118.748 176.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 1.199 ' O ' ' OE1' ' B' ' 31' ' ' GLN . 11.8 mt -80.02 125.01 82.68 Favored Pre-proline 0 C--O 1.242 0.683 0 C-N-CA 118.677 -1.209 . . . . 0.0 111.047 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 79.7 Cg_exo -57.08 136.96 79.7 Favored 'Trans proline' 0 C--O 1.256 1.423 0 C-N-CA 122.88 2.387 . . . . 0.0 110.958 178.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.8 ' HG3' ' HG3' ' B' ' 31' ' ' GLN . 35.8 Cg_exo -57.19 -32.11 92.57 Favored 'Trans proline' 0 C--O 1.262 1.708 0 O-C-N 123.009 1.005 . . . . 0.0 113.38 -179.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -68.35 -15.49 63.58 Favored 'General case' 0 C--O 1.264 1.862 0 O-C-N 120.056 -1.653 . . . . 0.0 112.219 -177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.791 ' HB3' HD11 ' B' ' 71' ' ' LEU . 2.0 mm100 -95.6 -10.62 29.02 Favored 'General case' 0 N--CA 1.479 1.019 0 O-C-N 120.378 -1.451 . . . . 0.0 112.16 178.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . 0.512 HE22 HD13 ' B' ' 30' ' ' ILE . 3.0 mt-30 -84.89 129.61 34.78 Favored 'General case' 0 C--N 1.313 -1.01 0 CA-C-O 124.252 1.977 . . . . 0.0 115.759 -177.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.664 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 12.1 mmp_? -121.15 116.24 24.58 Favored 'General case' 0 C--O 1.298 3.63 0 N-CA-C 104.744 -2.317 . . . . 0.0 104.744 172.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 mt -103.68 130.29 51.13 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 119.522 1.055 . . . . 0.0 109.964 -177.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.63 ' C ' ' CD2' ' B' ' 45' ' ' PHE . 0.7 OUTLIER -122.04 131.58 72.84 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 O-C-N 125.077 1.486 . . . . 0.0 112.032 -177.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.774 ' N ' ' CD2' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.28 129.85 19.06 Favored 'General case' 0 C--N 1.359 0.992 0 N-CA-C 105.302 -2.11 . . . . 0.0 105.302 177.429 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.43 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . . . 48.18 45.99 19.77 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 112.051 -2.341 . . . . 0.0 110.62 177.375 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.83 20.28 59.59 Favored Glycine 0 C--N 1.297 -1.603 0 C-N-CA 128.263 2.84 . . . . 0.0 117.389 -179.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 4.4 mtm180 -109.93 143.83 39.3 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-O 115.383 -2.246 . . . . 0.0 110.905 174.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -87.21 130.32 34.61 Favored 'General case' 0 C--N 1.281 -2.405 0 N-CA-C 103.972 -2.603 . . . . 0.0 103.972 173.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.703 HD23 ' CD2' ' B' ' 45' ' ' PHE . 1.4 mm? -79.49 138.39 37.53 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-O 117.573 -1.203 . . . . 0.0 110.136 -175.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.92 140.12 36.63 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 125.273 1.608 . . . . 0.0 109.932 -177.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.791 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.4 OUTLIER -48.36 -42.17 30.76 Favored 'General case' 0 C--O 1.264 1.816 0 N-CA-C 120.694 3.59 . . . . 0.0 120.694 -175.695 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.0 -8.71 85.36 Favored Glycine 0 N--CA 1.476 1.307 0 N-CA-C 115.967 1.147 . . . . 0.0 115.967 -177.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.52 165.18 17.32 Favored 'General case' 0 C--O 1.251 1.181 0 O-C-N 120.237 -1.743 . . . . 0.0 108.094 176.42 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.9 p -104.24 164.51 11.67 Favored 'General case' 0 C--N 1.31 -1.142 0 N-CA-C 106.79 -1.559 . . . . 0.0 106.79 177.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.682 HD11 HG21 ' B' ' 17' ' ' VAL . 2.1 mt -61.06 -36.53 79.85 Favored 'General case' 0 C--O 1.201 -1.457 0 N-CA-C 108.063 -1.088 . . . . 0.0 108.063 177.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 13.8 t -63.6 -29.85 71.04 Favored 'General case' 0 C--O 1.267 1.981 0 C-N-CA 117.326 -1.75 . . . . 0.0 112.201 -179.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -55.64 -38.95 70.21 Favored 'General case' 0 N--CA 1.486 1.326 0 CA-C-O 122.591 1.186 . . . . 0.0 110.812 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.756 ' CZ ' ' HB2' ' B' ' 45' ' ' PHE . 28.4 t80 -91.08 4.35 52.37 Favored 'General case' 0 C--N 1.303 -1.453 0 CA-C-O 117.582 -1.199 . . . . 0.0 112.872 179.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.99 45.41 18.09 Favored 'General case' 0 C--O 1.249 1.059 0 CA-C-N 121.713 2.051 . . . . 0.0 111.261 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.496 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.0 OUTLIER -88.83 116.32 30.23 Favored 'Isoleucine or valine' 0 C--O 1.269 2.114 0 CA-C-O 115.065 -2.397 . . . . 0.0 106.302 175.814 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -103.37 169.48 8.52 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 126.144 2.153 . . . . 0.0 109.712 -176.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -54.85 142.98 27.29 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-O 123.225 1.488 . . . . 0.0 109.229 -176.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 67.07 18.99 10.53 Favored 'General case' 0 C--O 1.255 1.362 0 N-CA-C 117.837 2.532 . . . . 0.0 117.837 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.447 ' HB3' HD13 ' B' ' 61' ' ' ILE . 7.1 t -71.12 159.58 34.44 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 107.211 -1.403 . . . . 0.0 107.211 174.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 5.0 t -119.06 126.6 52.07 Favored 'General case' 0 C--N 1.306 -1.303 0 CA-C-O 118.221 -0.895 . . . . 0.0 108.772 175.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.575 ' HG ' ' HA ' ' B' ' 5' ' ' VAL . 2.5 pp -103.14 154.57 19.16 Favored 'General case' 0 CA--C 1.543 0.701 0 CA-C-O 114.66 -2.59 . . . . 0.0 105.768 175.03 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 12.6 t60 -105.65 135.85 46.32 Favored 'General case' 0 C--N 1.282 -2.336 0 O-C-N 127.473 2.983 . . . . 0.0 105.636 178.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 43.3 tp -107.15 115.81 30.83 Favored 'General case' 0 C--O 1.284 2.882 0 CA-C-O 117.572 -1.204 . . . . 0.0 111.393 176.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 53.5 t -108.12 139.94 28.43 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.818 0 N-CA-C 103.411 -2.811 . . . . 0.0 103.411 175.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.11 -83.4 0.37 Allowed 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.15 0.5 . . . . 0.0 109.876 178.325 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.2 OUTLIER 150.23 153.79 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.546 0 CA-C-O 113.399 -3.191 . . . . 0.0 105.415 179.653 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.46 HD12 ' O ' ' B' ' 72' ' ' ARG . 0.7 OUTLIER -148.98 87.53 1.55 Allowed 'General case' 0 C--N 1.294 -1.834 0 O-C-N 125.639 1.837 . . . . 0.0 109.729 179.357 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 49.35 -171.11 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 113.764 -1.562 . . . . 0.0 108.714 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 124.14 -137.4 10.71 Favored Glycine 0 C--O 1.246 0.875 0 CA-C-N 114.866 -1.061 . . . . 0.0 115.268 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.463 0 CA-C-O 116.532 -2.26 . . . . 0.0 108.334 179.089 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.511 -0.554 0 CA-C-O 121.998 0.904 . . . . 0.0 111.028 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -73.56 -25.28 60.3 Favored 'General case' 0 C--N 1.29 -1.984 0 O-C-N 119.095 -2.253 . . . . 0.0 110.971 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.63 -57.84 3.89 Favored 'General case' 0 CA--C 1.51 -0.574 0 C-N-CA 126.845 2.058 . . . . 0.0 110.645 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -89.12 137.86 31.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.557 -178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.497 HD23 ' CD2' ' C' ' 127' ' ' TYR . 8.2 mp -70.18 -39.6 75.15 Favored 'General case' 0 C--O 1.238 0.469 0 CA-C-O 121.603 0.716 . . . . 0.0 111.833 172.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 t -144.37 136.06 21.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.247 1.419 . . . . 0.0 107.472 -178.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -144.37 147.99 34.12 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 119.666 -0.813 . . . . 0.0 110.603 165.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 22.6 p90 -160.94 155.29 23.16 Favored 'General case' 0 C--N 1.32 -0.701 0 O-C-N 124.324 1.015 . . . . 0.0 111.257 173.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.27 127.83 33.78 Favored 'General case' 0 C--O 1.254 1.339 0 CA-C-N 114.295 -1.32 . . . . 0.0 112.34 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.19 147.66 6.72 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.062 0.934 . . . . 0.0 110.098 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.01 164.84 25.11 Favored Glycine 0 N--CA 1.446 -0.639 0 N-CA-C 108.207 -1.957 . . . . 0.0 108.207 175.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -109.12 -179.2 3.78 Favored 'General case' 0 CA--C 1.515 -0.396 0 N-CA-C 108.095 -1.076 . . . . 0.0 108.095 178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . 0.513 ' HG2' ' N ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -137.11 161.11 37.03 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.673 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . 0.513 ' N ' ' HG2' ' C' ' 31' ' ' MET . 5.4 m -136.67 156.41 48.57 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 118.156 -1.418 . . . . 0.0 108.8 177.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.67 116.14 28.74 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.944 -1.872 . . . . 0.0 105.944 177.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -112.32 115.83 29.38 Favored 'General case' 0 C--O 1.238 0.474 0 N-CA-C 106.521 -1.659 . . . . 0.0 106.521 172.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.22 -116.0 8.57 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.0 14.56 18.43 Favored 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.416 -0.392 . . . . 0.0 109.994 178.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 1.6 p -112.06 122.46 47.82 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.451 0.538 . . . . 0.0 112.451 -172.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.508 HG23 ' HG3' ' C' ' 31' ' ' MET . 0.2 OUTLIER -76.11 120.01 25.28 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.235 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.747 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.1 m -124.05 119.41 26.58 Favored Pre-proline 0 C--O 1.245 0.866 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.141 -173.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.84 59.27 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 CA-C-O 122.309 0.879 . . . . 0.0 111.836 173.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -85.74 132.11 34.2 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.362 -2.088 . . . . 0.0 105.362 172.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.88 -11.25 59.62 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 113.679 0.992 . . . . 0.0 113.679 -172.272 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.19 144.5 55.96 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 -173.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 2.9 mmtm -68.12 125.56 26.75 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 171.61 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.38 171.26 21.59 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.188 1.438 . . . . 0.0 115.299 -179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 8.4 tp -128.37 124.41 36.33 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.37 -1.715 . . . . 0.0 106.37 175.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 53.3 t -91.03 137.64 21.32 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.082 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 164.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -152.0 157.76 42.15 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.041 0.924 . . . . 0.0 113.017 175.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 82.9 mt -118.8 131.08 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 113.602 -1.636 . . . . 0.0 108.351 174.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.07 137.64 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 CA-C-N 115.019 -0.992 . . . . 0.0 108.338 -178.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -100.16 122.01 42.33 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -84.06 171.11 13.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.291 177.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.52 -10.45 59.78 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 119.67 -0.812 . . . . 0.0 113.165 -170.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -82.66 7.45 14.74 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.248 -0.181 . . . . 0.0 110.987 170.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 23.0 t 73.71 -1.23 3.12 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.505 1.522 . . . . 0.0 114.744 -177.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 3.4 pp -74.84 149.94 39.42 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.253 -0.979 . . . . 0.0 113.116 179.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 2.1 mm -102.21 129.06 54.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.197 -177.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.5 OUTLIER -117.59 125.35 50.62 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 108.03 -1.1 . . . . 0.0 108.03 -176.488 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . 0.403 ' HB2' HG13 ' C' ' 75' ' ' ILE . 20.4 t80 -98.73 119.0 36.73 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.794 -1.558 . . . . 0.0 106.794 171.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 14.6 m -127.74 156.94 41.63 Favored 'General case' 0 C--O 1.239 0.512 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -171.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -130.53 128.33 40.93 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.548 -1.66 . . . . 0.0 108.702 169.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 4.7 tttt -120.72 134.36 55.29 Favored 'General case' 0 N--CA 1.443 -0.812 0 CA-C-N 114.039 -1.437 . . . . 0.0 109.772 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -74.28 115.28 13.6 Favored 'General case' 0 N--CA 1.444 -0.74 0 N-CA-C 107.759 -1.2 . . . . 0.0 107.759 173.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -64.04 -32.4 73.94 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -176.193 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 68.8 p -72.51 -46.13 56.11 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -175.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 4.3 t -91.39 -20.57 21.67 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.539 -176.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.71 60.93 Favored Glycine 0 CA--C 1.53 1.017 0 CA-C-O 119.778 -0.457 . . . . 0.0 113.775 -171.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -72.57 130.04 39.69 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 118.606 1.203 . . . . 0.0 113.157 178.62 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 42.6 t -84.1 109.07 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.623 -0.88 . . . . 0.0 108.623 173.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -94.44 -28.92 15.23 Favored 'General case' 0 C--O 1.207 -1.135 0 C-N-CA 119.759 -0.777 . . . . 0.0 110.946 -171.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.97 135.56 54.86 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.82 0.819 . . . . 0.0 109.383 177.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -154.99 103.39 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 mp -118.08 123.2 45.05 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.324 -1.307 . . . . 0.0 109.296 -174.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.6 mp -75.87 124.28 33.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.432 1.111 . . . . 0.0 111.715 168.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.755 ' HB ' HD23 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -122.97 130.43 74.47 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.615 -174.36 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -101.31 158.91 30.88 Favored Pre-proline 0 C--O 1.241 0.652 0 O-C-N 124.463 1.102 . . . . 0.0 110.856 173.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.34 133.92 58.46 Favored 'Trans proline' 0 CA--C 1.532 0.405 0 C-N-CA 122.92 2.413 . . . . 0.0 111.31 -179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.58 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -70.47 -33.55 71.39 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.038 0.835 . . . . 0.0 109.579 176.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 20.4 p -154.93 168.16 27.89 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 118.43 -1.308 . . . . 0.0 113.639 -173.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -133.45 139.29 46.62 Favored 'General case' 0 N--CA 1.443 -0.822 0 CA-C-N 113.441 -1.709 . . . . 0.0 107.009 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -106.67 124.16 49.2 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -148.51 156.46 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -177.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.8 142.76 56.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.047 -0.979 . . . . 0.0 108.449 177.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 21.9 t -94.15 98.42 2.87 Favored Pre-proline 0 C--N 1.32 -0.716 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 171.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 28.5 Cg_endo -61.1 -31.96 91.08 Favored 'Trans proline' 0 C--N 1.328 -0.526 0 N-CA-C 117.742 2.17 . . . . 0.0 117.742 -167.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.12 8.66 34.5 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.981 -1.488 . . . . 0.0 112.259 -164.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 1.1 m -85.09 119.59 72.65 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 174.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.83 -19.95 33.64 Favored 'Trans proline' 0 C--N 1.346 0.431 0 O-C-N 122.937 0.967 . . . . 0.0 114.437 -173.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 4.2 m -65.54 -34.52 78.46 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.383 0.538 . . . . 0.0 110.137 178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 12.99 64.73 Favored Glycine 0 CA--C 1.506 -0.492 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.505 -172.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . 0.483 HH11 ' HD3' ' C' ' 92' ' ' ARG . 1.3 mmt180 -120.98 17.13 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 69.7 t -97.05 133.45 38.54 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 173.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -125.03 151.85 45.05 Favored 'General case' 0 CA--C 1.5 -0.962 0 O-C-N 125.481 1.738 . . . . 0.0 110.408 178.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 4.5 p -127.06 135.27 64.09 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.91 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 179.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 2.9 tp -95.34 108.15 20.32 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 104.876 -2.268 . . . . 0.0 104.876 169.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 7.5 tppt? -109.28 125.16 52.0 Favored 'General case' 0 CA--C 1.484 -1.57 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 -171.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.41 ' CD2' ' HA3' ' A' ' 47' ' ' GLY . 68.4 m-85 -84.77 115.64 22.82 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.026 0.828 . . . . 0.0 109.189 176.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.39 -25.19 68.17 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.356 -169.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.24 115.19 28.93 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 173.547 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . 0.664 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.88 172.48 27.76 Favored Glycine 0 N--CA 1.448 -0.559 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -172.782 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -91.38 8.95 33.71 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.047 -0.678 . . . . 0.0 110.482 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 7.0 tptm -70.66 129.24 38.63 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.05 141.84 46.21 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.908 175.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 14.6 mt -124.63 126.19 45.35 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 171.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . 0.457 ' HB2' ' SD ' ' C' ' 31' ' ' MET . 15.9 m-85 -100.85 143.65 30.76 Favored 'General case' 0 N--CA 1.44 -0.955 0 O-C-N 124.718 1.261 . . . . 0.0 110.336 -177.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 40.6 m-85 -137.03 156.64 48.16 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 114.53 -1.214 . . . . 0.0 109.294 178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 10.2 t90 -131.43 126.59 35.48 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.589 -0.845 . . . . 0.0 110.416 175.018 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 5.0 mmt -62.72 137.74 58.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.264 -174.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -118.83 3.97 11.55 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.585 -1.189 . . . . 0.0 110.271 179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.34 135.96 93.97 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.146 1.451 . . . . 0.0 108.637 173.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.3 -41.38 42.32 Favored 'Trans proline' 0 C--O 1.245 0.86 0 C-N-CA 117.611 -1.126 . . . . 0.0 112.363 -174.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.11 146.95 24.23 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-O 121.138 0.494 . . . . 0.0 110.479 173.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 80.9 p -83.48 -9.23 59.12 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.182 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -53.57 -33.82 56.15 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -103.23 5.89 37.86 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -56.87 -48.86 77.14 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 119.0 -1.08 . . . . 0.0 110.247 -177.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -69.83 -32.22 70.53 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.39 -0.924 . . . . 0.0 110.543 -173.401 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -67.27 -44.03 80.34 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 175.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -55.65 -45.88 77.56 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.025 -1.047 . . . . 0.0 112.249 173.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 9.6 t -60.61 -43.02 97.92 Favored 'General case' 0 CA--C 1.549 0.906 0 CA-C-O 121.681 0.753 . . . . 0.0 110.336 179.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.92 -43.51 98.7 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.072 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -64.22 -42.3 96.63 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 178.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 11.3 t -52.31 -51.93 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 120.157 -0.617 . . . . 0.0 110.386 175.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -60.3 -39.48 87.12 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 70.0 mm-40 -65.37 -45.97 81.96 Favored 'General case' 0 CA--C 1.514 -0.411 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.453 -178.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . 0.497 ' CD2' HD23 ' C' ' 23' ' ' LEU . 71.7 m-85 -78.98 -24.51 43.76 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.474 -0.89 . . . . 0.0 112.394 -174.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 1.053 HD22 ' O ' ' C' ' 128' ' ' LEU . 0.3 OUTLIER -79.04 -36.06 41.61 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.711 -0.795 . . . . 0.0 112.254 174.518 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . 0.456 ' N ' HD13 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.82 -11.04 14.41 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 113.026 0.75 . . . . 0.0 113.026 -168.536 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -141.18 71.81 27.37 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 169.424 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . 0.561 ' N ' ' CD ' ' C' ' 132' ' ' PRO . 60.2 Cg_exo -52.4 -45.18 41.42 Favored 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 121.59 1.527 . . . . 0.0 111.645 -179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . 0.561 ' CD ' ' N ' ' C' ' 131' ' ' PRO . 92.3 Cg_endo . . . . . 0 C--N 1.289 -2.59 0 C-N-CA 122.426 2.084 . . . . 0.0 111.654 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ptt? . . . . . 0 CA--C 1.55 0.953 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.07 138.21 31.77 Favored 'General case' 0 C--O 1.264 1.821 0 O-C-N 126.946 2.654 . . . . 0.0 108.968 178.201 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.551 HG23 ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.28 163.02 38.23 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.343 0 N-CA-C 105.579 -2.008 . . . . 0.0 105.579 173.538 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.551 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -115.99 140.21 49.49 Favored 'General case' 0 N--CA 1.513 2.682 1 O-C-N 130.51 4.881 . . . . 0.0 108.705 179.727 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.5 t -118.14 114.23 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.78 0 CA-C-O 113.426 -3.178 . . . . 0.0 105.578 175.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -95.19 127.58 41.36 Favored 'General case' 0 N--CA 1.507 2.392 1 O-C-N 129.381 4.176 . . . . 0.0 107.899 -178.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 58.8 p -99.67 170.72 8.37 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.89 -1.053 . . . . 0.0 109.294 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -73.31 -7.0 49.7 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 124.153 0.908 . . . . 0.0 112.656 -177.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 45.8 p -101.54 15.03 30.17 Favored 'General case' 0 N--CA 1.502 2.134 0 C-N-CA 115.694 -2.403 . . . . 0.0 112.059 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.31 16.76 80.16 Favored Glycine 0 C--N 1.298 -1.54 0 O-C-N 120.159 -1.588 . . . . 0.0 116.106 179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.42 138.1 34.51 Favored 'General case' 0 C--N 1.311 -1.09 0 N-CA-C 105.217 -2.142 . . . . 0.0 105.217 175.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.01 131.68 55.22 Favored 'General case' 0 N--CA 1.476 0.845 0 O-C-N 126.574 2.421 . . . . 0.0 105.916 176.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.6 141.97 23.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 127.562 3.039 . . . . 0.0 108.831 179.763 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 10.2 t -101.4 139.68 36.74 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 117.124 -1.83 . . . . 0.0 108.252 178.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.3 mp -126.46 154.07 44.21 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-O 115.384 -2.246 . . . . 0.0 108.303 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 -111.86 120.99 43.81 Favored 'General case' 0 N--CA 1.499 1.985 1 O-C-N 129.277 4.11 . . . . 0.0 103.709 173.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -138.85 170.55 16.15 Favored 'Isoleucine or valine' 0 C--O 1.255 1.354 0 O-C-N 127.467 2.979 . . . . 0.0 111.184 -177.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -119.96 144.5 37.63 Favored Pre-proline 0 C--N 1.314 -0.958 0 CA-C-N 112.327 -2.215 . . . . 0.0 106.355 174.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 67.8 Cg_exo -54.99 -24.38 39.37 Favored 'Trans proline' 0 C--N 1.321 -0.883 0 C-N-CA 122.465 2.11 . . . . 0.0 111.967 177.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 25.1 m -79.92 -8.11 59.13 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.918 -177.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.04 148.4 47.6 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 117.483 -1.687 . . . . 0.0 109.796 -179.046 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.74 160.45 21.26 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 108.277 -1.009 . . . . 0.0 108.277 175.755 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 19.9 mm -61.38 -37.17 77.07 Favored 'Isoleucine or valine' 0 C--O 1.245 0.862 0 O-C-N 127.18 2.8 . . . . 0.0 110.296 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.51 -40.2 78.21 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.322 -0.861 . . . . 0.0 110.745 177.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.4 m-20 -68.19 -42.0 80.59 Favored 'General case' 0 C--O 1.262 1.716 0 O-C-N 121.83 -0.544 . . . . 0.0 110.979 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.21 -46.51 88.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 O-C-N 124.402 1.064 . . . . 0.0 109.141 178.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -60.75 -37.9 83.36 Favored 'General case' 0 C--O 1.258 1.536 0 CA-C-O 118.872 -0.585 . . . . 0.0 110.731 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.18 -38.17 87.4 Favored 'General case' 0 C--O 1.277 2.532 0 CA-C-N 118.186 0.448 . . . . 0.0 111.134 176.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.0 tptm -64.09 -37.5 87.68 Favored 'General case' 0 C--O 1.255 1.39 0 CA-C-O 123.012 1.387 . . . . 0.0 110.666 176.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.512 HG22 ' CG2' ' A' ' 36' ' ' ILE . 5.4 mt -69.99 -39.45 77.42 Favored 'Isoleucine or valine' 0 C--O 1.251 1.175 0 N-CA-C 106.682 -1.599 . . . . 0.0 106.682 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.39 -48.59 79.07 Favored 'General case' 0 N--CA 1.495 1.788 0 CA-C-O 125.481 2.563 . . . . 0.0 109.073 179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -53.29 -41.74 65.89 Favored 'General case' 0 C--O 1.253 1.248 0 CA-C-N 113.56 -1.655 . . . . 0.0 111.937 178.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 22.0 tttt -93.6 -24.19 18.01 Favored 'General case' 0 C--O 1.28 2.669 0 N-CA-C 117.219 2.303 . . . . 0.0 117.219 -175.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -123.44 -6.52 8.16 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.115 2.689 . . . . 0.0 114.278 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.14 5.64 89.95 Favored Glycine 0 CA--C 1.479 -2.187 0 N-CA-C 118.811 2.285 . . . . 0.0 118.811 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.512 ' CG2' HG22 ' A' ' 30' ' ' ILE . 9.9 tt -79.78 124.7 83.3 Favored Pre-proline 0 C--O 1.245 0.821 0 C-N-CA 118.891 -1.124 . . . . 0.0 110.898 179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.443 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 80.0 Cg_exo -56.88 136.91 79.24 Favored 'Trans proline' 0 C--O 1.26 1.597 0 C-N-CA 123.317 2.678 . . . . 0.0 110.804 178.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.6 Cg_exo -57.25 -31.93 92.16 Favored 'Trans proline' 0 C--O 1.262 1.701 0 O-C-N 123.014 1.007 . . . . 0.0 113.677 -179.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -68.39 -15.39 63.54 Favored 'General case' 0 C--O 1.261 1.685 0 O-C-N 119.811 -1.805 . . . . 0.0 112.323 -177.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -95.92 -10.36 28.94 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 120.677 -1.264 . . . . 0.0 112.029 178.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 26.3 mt-30 -84.81 129.58 34.8 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 124.345 2.021 . . . . 0.0 115.749 -177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 mmt180 -121.04 116.09 24.39 Favored 'General case' 0 C--O 1.3 3.711 0 N-CA-C 104.928 -2.249 . . . . 0.0 104.928 171.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 84.0 mt -103.52 130.13 50.85 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 119.535 1.061 . . . . 0.0 110.017 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.425 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -122.02 131.84 72.26 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 O-C-N 125.229 1.58 . . . . 0.0 111.897 -177.487 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -144.38 129.54 18.65 Favored 'General case' 0 C--N 1.36 1.052 0 N-CA-C 105.387 -2.079 . . . . 0.0 105.387 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.25 46.06 20.01 Favored 'General case' 0 C--N 1.31 -1.13 0 CA-C-N 112.21 -2.268 . . . . 0.0 110.697 177.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.59 21.72 60.77 Favored Glycine 0 N--CA 1.432 -1.575 0 C-N-CA 128.61 3.005 . . . . 0.0 117.534 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.05 142.8 46.15 Favored 'General case' 0 C--N 1.308 -1.221 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 177.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -85.78 130.29 34.6 Favored 'General case' 0 C--O 1.258 1.546 0 N-CA-C 103.827 -2.657 . . . . 0.0 103.827 174.529 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.8 mt -79.5 138.1 37.43 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 117.67 -1.157 . . . . 0.0 110.212 -175.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -101.67 140.16 36.33 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.103 1.502 . . . . 0.0 110.0 -177.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -47.98 -42.53 28.0 Favored 'General case' 0 C--O 1.264 1.828 0 N-CA-C 120.82 3.637 . . . . 0.0 120.82 -175.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.94 85.38 Favored Glycine 0 CA--C 1.49 -1.507 0 N-CA-C 116.22 1.248 . . . . 0.0 116.22 -177.283 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 35.7 mtt180 -85.36 165.29 17.37 Favored 'General case' 0 C--O 1.252 1.192 0 O-C-N 119.769 -2.018 . . . . 0.0 108.136 176.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.455 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 12.6 t -104.51 164.86 11.45 Favored 'General case' 0 C--N 1.307 -1.254 0 N-CA-C 106.613 -1.625 . . . . 0.0 106.613 177.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.513 HD22 HD13 ' A' ' 61' ' ' ILE . 10.7 mt -61.63 -35.96 79.4 Favored 'General case' 0 C--O 1.202 -1.431 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 55' ' ' THR . 0.1 OUTLIER -64.15 -29.43 70.55 Favored 'General case' 0 C--O 1.267 2.025 0 C-N-CA 117.316 -1.754 . . . . 0.0 112.251 -179.619 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -55.46 -39.66 70.64 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 122.447 1.118 . . . . 0.0 110.643 179.519 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -90.75 4.67 50.96 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 117.679 -1.153 . . . . 0.0 112.977 179.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.3 m120 58.04 45.2 18.26 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 121.626 2.012 . . . . 0.0 111.22 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.513 HD13 HD22 ' A' ' 56' ' ' LEU . 4.4 mt -88.71 116.53 30.53 Favored 'Isoleucine or valine' 0 C--O 1.267 1.982 0 CA-C-O 115.19 -2.338 . . . . 0.0 106.18 175.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -103.53 169.61 8.43 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 126.046 2.091 . . . . 0.0 109.398 -176.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.83 142.87 27.58 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-O 123.272 1.51 . . . . 0.0 109.17 -176.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 67.05 19.3 10.52 Favored 'General case' 0 C--O 1.255 1.37 0 N-CA-C 117.96 2.578 . . . . 0.0 117.96 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.22 159.54 34.45 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.295 -1.372 . . . . 0.0 107.295 174.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.411 ' HB ' HG23 ' B' ' 70' ' ' VAL . 0.9 OUTLIER -119.21 126.82 52.44 Favored 'General case' 0 C--N 1.307 -1.261 0 CA-C-O 118.119 -0.943 . . . . 0.0 108.769 175.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.4 mt -103.21 154.6 19.16 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 114.743 -2.551 . . . . 0.0 105.669 175.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.422 ' O ' HG23 ' A' ' 44' ' ' ILE . 2.6 t-80 -105.67 135.62 46.75 Favored 'General case' 0 C--N 1.285 -2.202 0 O-C-N 127.375 2.922 . . . . 0.0 105.875 177.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.8 tt -106.81 115.8 30.82 Favored 'General case' 0 C--O 1.286 2.994 0 CA-C-O 117.591 -1.195 . . . . 0.0 111.464 176.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.5 t -108.15 139.99 28.29 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.905 0 N-CA-C 103.544 -2.762 . . . . 0.0 103.544 175.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -96.12 138.83 33.17 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-O 121.292 0.567 . . . . 0.0 109.74 178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -74.95 143.95 43.44 Favored 'General case' 0 C--O 1.276 2.451 0 CA-C-O 113.146 -3.311 . . . . 0.0 105.574 178.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.14 62.67 0.89 Allowed 'General case' 0 C--N 1.289 -2.023 0 O-C-N 125.963 2.039 . . . . 0.0 109.611 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 59.95 44.01 14.04 Favored 'General case' 0 C--O 1.246 0.91 0 CA-C-N 113.651 -1.613 . . . . 0.0 108.892 -179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -173.54 -61.18 0.05 OUTLIER Glycine 0 C--O 1.245 0.818 0 CA-C-N 114.515 -1.22 . . . . 0.0 115.204 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.513 0 N-CA-C 108.221 -1.952 . . . . 0.0 108.221 179.318 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 7.3 mmt . . . . . 0 CA--C 1.548 0.88 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -91.02 138.48 31.57 Favored 'General case' 0 N--CA 1.498 1.938 0 O-C-N 127.135 2.772 . . . . 0.0 108.837 178.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 1.2 pp -131.12 163.09 37.95 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.234 0 CA-C-O 115.844 -2.027 . . . . 0.0 105.883 173.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 1.007 ' CE1' ' HB ' ' B' ' 12' ' ' THR . 0.0 OUTLIER -116.03 140.29 49.41 Favored 'General case' 0 N--CA 1.515 2.784 1 O-C-N 130.579 4.924 . . . . 0.0 108.533 179.763 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.739 ' N ' ' CD1' ' B' ' 4' ' ' PHE . 0.1 OUTLIER -117.99 113.95 43.79 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.664 0 CA-C-O 113.39 -3.195 . . . . 0.0 105.824 175.513 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.822 ' CB ' ' CZ ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -95.01 127.63 41.21 Favored 'General case' 0 N--CA 1.503 2.215 1 O-C-N 129.186 4.054 . . . . 0.0 108.184 -178.176 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.718 0 CA-C-O 117.815 -1.088 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.714 ' H ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.33 -7.0 49.74 Favored 'General case' 0 N--CA 1.482 1.132 0 O-C-N 124.066 0.854 . . . . 0.0 112.81 -178.271 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.2 t -101.24 14.82 30.77 Favored 'General case' 0 N--CA 1.506 2.335 0 C-N-CA 115.697 -2.401 . . . . 0.0 111.974 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.56 16.52 80.16 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 120.224 -1.547 . . . . 0.0 116.084 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 137.97 34.5 Favored 'General case' 0 C--N 1.305 -1.352 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 174.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . 1.007 ' HB ' ' CE1' ' B' ' 4' ' ' PHE . 0.4 OUTLIER -119.98 131.93 55.33 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 126.437 2.335 . . . . 0.0 106.174 176.077 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 3.1 mp -109.5 141.68 24.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 127.689 3.118 . . . . 0.0 109.102 179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 11.6 p -101.16 140.0 36.06 Favored 'General case' 0 N--CA 1.497 1.887 0 C-N-CA 116.961 -1.896 . . . . 0.0 108.388 177.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.3 mt -126.63 153.92 44.69 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 115.501 -2.19 . . . . 0.0 108.343 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.7 121.09 44.18 Favored 'General case' 0 N--CA 1.496 1.848 1 O-C-N 129.249 4.093 . . . . 0.0 103.656 173.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.03 170.64 15.85 Favored 'Isoleucine or valine' 0 C--O 1.254 1.329 0 O-C-N 127.869 3.23 . . . . 0.0 111.237 -177.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -120.01 144.58 37.9 Favored Pre-proline 0 C--N 1.312 -1.036 0 CA-C-N 112.1 -2.318 . . . . 0.0 106.339 174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.417 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 24.8 Cg_endo -54.94 -24.65 40.31 Favored 'Trans proline' 0 C--N 1.317 -1.094 0 C-N-CA 122.691 2.26 . . . . 0.0 111.558 177.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 30.6 p -79.91 -8.19 59.18 Favored 'General case' 0 C--O 1.244 0.785 0 CA-C-O 118.158 -0.925 . . . . 0.0 110.931 -177.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -70.9 148.53 47.67 Favored 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 117.38 -1.728 . . . . 0.0 109.735 -179.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.88 160.52 21.11 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 18.0 mm -61.44 -36.77 75.25 Favored 'Isoleucine or valine' 0 C--O 1.24 0.569 0 O-C-N 126.977 2.673 . . . . 0.0 110.329 175.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.606 ' HG3' ' O ' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.18 -42.87 77.76 Favored 'General case' 0 C--O 1.253 1.276 0 O-C-N 120.447 -1.408 . . . . 0.0 110.988 176.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -64.5 -44.52 90.68 Favored 'General case' 0 C--O 1.249 1.033 0 C-N-CA 124.247 1.019 . . . . 0.0 111.405 -179.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.57 -46.3 90.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.86 1.35 . . . . 0.0 109.0 178.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 15.4 mttt -60.77 -37.92 83.49 Favored 'General case' 0 C--O 1.257 1.474 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.826 -179.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.36 -37.99 86.57 Favored 'General case' 0 C--O 1.278 2.589 0 O-C-N 123.313 0.383 . . . . 0.0 111.309 176.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.5 mmmp? -64.01 -37.44 87.44 Favored 'General case' 0 C--O 1.254 1.306 0 CA-C-O 122.992 1.377 . . . . 0.0 110.859 175.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -39.73 78.45 Favored 'Isoleucine or valine' 0 C--O 1.253 1.258 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 179.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.96 -48.81 78.7 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 125.44 2.543 . . . . 0.0 109.041 179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.37 -41.86 66.28 Favored 'General case' 0 C--O 1.255 1.375 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.815 179.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.321 9.7 mtpt -93.45 -24.24 18.1 Favored 'General case' 0 C--O 1.281 2.732 0 N-CA-C 117.214 2.301 . . . . 0.0 117.214 -175.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -123.68 -6.3 8.04 Favored 'General case' 0 C--N 1.306 -1.311 0 CA-C-N 122.958 2.617 . . . . 0.0 113.785 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.59 90.02 Favored Glycine 0 CA--C 1.477 -2.308 0 N-CA-C 118.665 2.226 . . . . 0.0 118.665 176.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.474 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 36.4 mm -79.83 124.99 83.07 Favored Pre-proline 0 C--O 1.242 0.667 0 C-N-CA 118.749 -1.18 . . . . 0.0 111.044 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 80.5 Cg_exo -57.06 136.99 79.95 Favored 'Trans proline' 0 C--O 1.256 1.424 0 C-N-CA 122.944 2.43 . . . . 0.0 110.895 178.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.447 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.3 Cg_exo -57.26 -32.21 92.99 Favored 'Trans proline' 0 C--O 1.261 1.657 0 O-C-N 123.116 1.061 . . . . 0.0 113.367 -179.216 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.17 -15.62 63.66 Favored 'General case' 0 C--O 1.264 1.831 0 O-C-N 119.973 -1.704 . . . . 0.0 112.27 -177.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.8 ' HB3' ' CD1' ' B' ' 71' ' ' LEU . 6.9 mm-40 -95.47 -10.69 29.11 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 120.562 -1.337 . . . . 0.0 112.209 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 35.7 mt-30 -84.82 129.66 34.78 Favored 'General case' 0 C--N 1.313 -1.014 0 CA-C-O 124.27 1.986 . . . . 0.0 115.755 -177.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.413 ' HB2' HG13 ' B' ' 70' ' ' VAL . 0.1 OUTLIER -121.22 116.24 24.53 Favored 'General case' 0 C--O 1.298 3.621 0 N-CA-C 104.766 -2.309 . . . . 0.0 104.766 172.178 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 6.4 mp -103.65 130.22 51.07 Favored 'General case' 0 N--CA 1.484 1.267 0 CA-C-N 119.457 1.026 . . . . 0.0 109.977 -177.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 1.4 mm -121.99 131.57 72.84 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.774 0 O-C-N 125.063 1.477 . . . . 0.0 112.044 -177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -144.21 129.75 19.04 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 105.386 -2.079 . . . . 0.0 105.386 177.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.26 45.88 20.06 Favored 'General case' 0 N--CA 1.48 1.074 0 CA-C-N 112.042 -2.344 . . . . 0.0 110.622 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.96 20.22 59.82 Favored Glycine 0 C--N 1.298 -1.562 0 C-N-CA 128.22 2.819 . . . . 0.0 117.324 -179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.91 143.91 39.16 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 115.385 -2.245 . . . . 0.0 110.908 174.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.419 ' CB ' ' HE2' ' C' ' 99' ' ' LYS . 0.9 OUTLIER -87.13 130.32 34.57 Favored 'General case' 0 C--N 1.28 -2.418 0 N-CA-C 103.964 -2.606 . . . . 0.0 103.964 173.339 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mt -79.62 138.42 37.42 Favored 'General case' 0 C--N 1.309 -1.168 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.159 -175.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -101.94 140.0 36.82 Favored 'General case' 0 N--CA 1.476 0.875 0 O-C-N 125.175 1.547 . . . . 0.0 109.884 -177.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.606 ' O ' ' HG3' ' B' ' 24' ' ' GLU . 0.0 OUTLIER -48.13 -42.14 28.45 Favored 'General case' 0 C--O 1.262 1.723 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -175.839 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.14 -8.67 85.19 Favored Glycine 0 CA--C 1.492 -1.353 0 N-CA-C 115.924 1.13 . . . . 0.0 115.924 -177.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 4.6 mpt_? -85.61 165.32 17.13 Favored 'General case' 0 C--O 1.251 1.146 0 O-C-N 120.15 -1.794 . . . . 0.0 108.069 176.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.443 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 76.8 p -104.4 164.52 11.68 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 106.716 -1.587 . . . . 0.0 106.716 177.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.703 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.5 OUTLIER -61.08 -36.31 79.3 Favored 'General case' 0 C--O 1.201 -1.452 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 177.213 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.85 -29.65 70.81 Favored 'General case' 0 C--O 1.266 1.954 0 C-N-CA 117.267 -1.773 . . . . 0.0 112.167 -179.408 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.7 -39.03 70.48 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.548 1.166 . . . . 0.0 110.755 179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 35.3 m-85 -91.07 4.44 52.13 Favored 'General case' 0 C--N 1.302 -1.465 0 CA-C-O 117.63 -1.176 . . . . 0.0 112.903 179.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 33.6 t30 57.91 45.53 18.15 Favored 'General case' 0 C--N 1.314 -0.971 0 CA-C-N 121.77 2.077 . . . . 0.0 111.229 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.703 ' CG2' ' O ' ' B' ' 56' ' ' LEU . 0.0 OUTLIER -88.88 116.25 30.14 Favored 'Isoleucine or valine' 0 C--O 1.27 2.142 0 CA-C-O 115.045 -2.407 . . . . 0.0 106.214 175.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.34 169.5 8.51 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 126.144 2.152 . . . . 0.0 109.693 -176.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.87 143.01 27.27 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 123.128 1.442 . . . . 0.0 109.283 -176.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 66.92 19.17 10.64 Favored 'General case' 0 C--O 1.255 1.375 0 N-CA-C 117.855 2.539 . . . . 0.0 117.855 179.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.14 159.62 34.35 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 174.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 6.6 t -119.1 126.62 52.08 Favored 'General case' 0 C--N 1.308 -1.213 0 CA-C-O 118.248 -0.882 . . . . 0.0 108.75 175.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.18 154.56 19.19 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 114.715 -2.564 . . . . 0.0 105.715 174.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 25.9 t60 -105.61 135.74 46.46 Favored 'General case' 0 C--N 1.283 -2.295 0 O-C-N 127.532 3.02 . . . . 0.0 105.751 177.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 1.3 tt -107.06 115.88 30.95 Favored 'General case' 0 C--O 1.283 2.864 0 CA-C-O 117.626 -1.178 . . . . 0.0 111.424 176.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.413 HG13 ' HB2' ' B' ' 42' ' ' ARG . 5.5 p -108.2 139.85 28.87 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 N-CA-C 103.474 -2.788 . . . . 0.0 103.474 175.227 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.805 HD12 ' C ' ' B' ' 71' ' ' LEU . 0.6 OUTLIER -96.08 -83.43 0.37 Allowed 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 121.164 0.507 . . . . 0.0 109.805 178.439 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.594 ' N ' ' HG ' ' B' ' 71' ' ' LEU . 0.5 OUTLIER 161.2 -65.15 0.0 OUTLIER 'General case' 0 C--N 1.278 -2.5 0 CA-C-O 113.449 -3.167 . . . . 0.0 105.466 -179.761 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 9.0 mt 61.77 70.25 0.6 Allowed 'General case' 0 C--N 1.294 -1.815 0 O-C-N 125.663 1.852 . . . . 0.0 109.674 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.71 109.94 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 113.829 -1.532 . . . . 0.0 108.67 -179.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -137.9 151.56 21.38 Favored Glycine 0 C--O 1.245 0.801 0 CA-C-N 114.766 -1.106 . . . . 0.0 115.16 -178.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.512 0 CA-C-O 116.497 -2.28 . . . . 0.0 108.336 178.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 62.4 m . . . . . 0 CA--C 1.511 -0.532 0 CA-C-O 122.037 0.922 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -73.65 177.28 5.52 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 119.065 -2.272 . . . . 0.0 110.971 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 17.4 tttt -149.95 143.45 25.24 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 126.856 2.062 . . . . 0.0 110.661 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -89.05 137.9 31.9 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.364 -0.834 . . . . 0.0 111.558 -178.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.412 ' HG ' ' CD2' ' C' ' 127' ' ' TYR . 0.1 OUTLIER -70.13 -39.69 75.28 Favored 'General case' 0 C--O 1.239 0.518 0 CA-C-O 121.669 0.747 . . . . 0.0 111.854 172.456 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.427 ' HB ' HG13 ' C' ' 49' ' ' ILE . 0.9 OUTLIER -144.36 136.14 21.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.178 1.391 . . . . 0.0 107.423 -178.193 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -144.34 148.03 34.23 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.703 -0.799 . . . . 0.0 110.59 165.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -161.0 155.25 23.0 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.239 0.962 . . . . 0.0 111.195 173.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.23 127.84 33.8 Favored 'General case' 0 C--O 1.254 1.329 0 CA-C-N 114.233 -1.349 . . . . 0.0 112.32 178.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . 0.457 ' HB3' HG23 ' C' ' 47' ' ' VAL . . . -166.19 147.75 6.74 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.14 -0.936 . . . . 0.0 110.057 179.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -95.0 164.83 25.13 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 108.299 -1.92 . . . . 0.0 108.299 175.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.15 -179.19 3.77 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . 0.794 ' CE ' HG22 ' C' ' 38' ' ' VAL . 0.0 OUTLIER -137.17 161.03 37.27 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 174.662 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . 0.577 ' N ' ' SD ' ' C' ' 31' ' ' MET . 4.7 t -136.64 156.52 48.44 Favored 'General case' 0 C--N 1.319 -0.734 0 C-N-CA 118.039 -1.464 . . . . 0.0 108.773 177.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.67 116.17 28.77 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 177.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 12.6 mmtm -112.35 115.85 29.41 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 172.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.302 -1.919 . . . . 0.0 108.302 -169.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -114.03 14.52 18.39 Favored 'General case' 0 N--CA 1.446 -0.636 0 CA-C-N 115.34 -0.43 . . . . 0.0 109.928 178.135 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 44.3 p -111.99 122.45 47.8 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.449 0.536 . . . . 0.0 112.449 -172.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.794 HG22 ' CE ' ' C' ' 31' ' ' MET . 0.9 OUTLIER -76.04 120.02 25.18 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 N-CA-C 107.132 -1.433 . . . . 0.0 107.132 174.691 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 41.7 p -124.08 119.39 26.55 Favored Pre-proline 0 C--O 1.244 0.815 0 C-N-CA 122.558 0.343 . . . . 0.0 110.165 -173.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -59.96 134.85 59.19 Favored 'Trans proline' 0 N--CA 1.458 -0.569 0 CA-C-O 122.35 0.896 . . . . 0.0 111.792 173.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -85.74 132.15 34.19 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 172.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -80.92 -11.3 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 64.5 mtp180 -67.01 144.43 56.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.331 1.234 . . . . 0.0 114.331 -173.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 2.5 mttm -68.13 125.57 26.8 Favored 'General case' 0 N--CA 1.444 -0.752 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 171.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.36 171.18 21.61 Favored Glycine 0 C--N 1.316 -0.563 0 CA-C-O 123.169 1.427 . . . . 0.0 115.359 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 11.9 mt -128.39 124.46 36.37 Favored 'General case' 0 N--CA 1.422 -1.852 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 175.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . 0.457 HG23 ' HB3' ' C' ' 28' ' ' ALA . 94.5 t -90.93 137.48 21.63 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.083 0 N-CA-C 108.483 -0.932 . . . . 0.0 108.483 164.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 2.5 p90 -151.91 157.75 42.24 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.964 0.888 . . . . 0.0 113.045 175.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.593 ' HB ' ' HD1' ' C' ' 127' ' ' TYR . 0.7 OUTLIER -118.79 131.1 72.54 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 113.575 -1.648 . . . . 0.0 108.33 174.864 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.64 44.81 Favored 'General case' 0 CA--C 1.493 -1.236 0 CA-C-N 115.0 -1.0 . . . . 0.0 108.332 -178.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . 0.518 ' CB ' ' OH ' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -100.14 122.06 42.39 Favored 'General case' 0 C--O 1.234 0.287 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 170.277 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 62.9 p -84.03 171.16 13.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.33 177.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.62 -10.39 59.7 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.659 -0.816 . . . . 0.0 113.187 -170.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -82.67 7.39 14.94 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 121.264 -0.174 . . . . 0.0 110.974 170.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.8 -1.26 3.12 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.474 1.509 . . . . 0.0 114.809 -177.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mt -74.89 149.97 39.33 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.204 -0.999 . . . . 0.0 113.087 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.448 HG23 ' CZ ' ' C' ' 127' ' ' TYR . 7.1 mm -102.27 129.18 54.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.077 -177.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 9.9 m80 -117.7 125.39 50.59 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -176.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . 0.443 ' CE2' HD12 ' C' ' 96' ' ' LEU . 25.8 t80 -98.87 118.97 36.83 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 171.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . 0.625 ' C ' ' CD1' ' C' ' 61' ' ' TRP . 2.7 m -127.65 156.89 41.61 Favored 'General case' 0 C--O 1.238 0.482 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 -171.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . 0.625 ' CD1' ' C ' ' C' ' 60' ' ' CYS . 0.0 OUTLIER -130.57 128.31 40.82 Favored 'General case' 0 C--O 1.244 0.766 0 CA-C-N 113.533 -1.667 . . . . 0.0 108.646 169.298 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 10.1 ttmt -120.65 134.29 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.775 -176.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -74.22 115.39 13.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 173.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 27.9 mtp180 -64.08 -32.42 73.97 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 72.2 p -72.43 -46.23 55.98 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -175.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 28.6 t -91.44 -20.46 21.76 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.598 -176.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.56 2.74 60.9 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.713 -0.493 . . . . 0.0 113.723 -171.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -72.47 129.99 39.63 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 118.656 1.228 . . . . 0.0 113.136 178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . 0.401 HG12 ' H ' ' C' ' 69' ' ' VAL . 0.9 OUTLIER -84.19 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.403 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -94.49 -28.9 15.21 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.763 -0.775 . . . . 0.0 110.924 -171.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . 0.606 ' HB3' ' CD2' ' C' ' 61' ' ' TRP . 7.4 t70 -121.99 135.55 54.85 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 121.837 0.827 . . . . 0.0 109.407 177.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -154.98 103.34 2.39 Favored 'General case' 0 CA--C 1.499 -0.999 0 N-CA-C 104.496 -2.409 . . . . 0.0 104.496 -178.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.6 mt -118.05 123.23 45.14 Favored 'General case' 0 N--CA 1.435 -1.183 0 CA-C-N 114.343 -1.299 . . . . 0.0 109.295 -174.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 21.4 pt -75.87 124.26 33.59 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.391 1.091 . . . . 0.0 111.661 168.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.776 ' HB ' HD23 ' C' ' 128' ' ' LEU . 0.5 OUTLIER -122.97 130.35 74.52 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.351 0 CA-C-N 114.597 -1.183 . . . . 0.0 109.615 -174.399 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -101.27 158.97 30.78 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.493 1.121 . . . . 0.0 110.89 173.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.22 133.91 58.01 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.962 2.441 . . . . 0.0 111.287 -179.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.41 6.84 5.91 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.671 2.1 . . . . 0.0 116.671 -175.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -70.36 -33.64 71.69 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.061 0.846 . . . . 0.0 109.633 176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.426 ' HA ' ' HG2' ' C' ' 99' ' ' LYS . 0.6 OUTLIER -154.91 168.16 27.87 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 118.489 -1.284 . . . . 0.0 113.699 -173.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . 0.456 ' HB2' ' HD2' ' C' ' 99' ' ' LYS . 9.0 tp10 -133.45 139.36 46.66 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.961 -178.11 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.438 ' HB3' ' CE1' ' C' ' 94' ' ' TYR . 1.4 m-85 -106.77 124.23 49.31 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 177.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.58 156.44 42.42 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.765 1.394 . . . . 0.0 114.765 -177.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.1 ptt180 -67.78 142.81 56.1 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 114.989 -1.005 . . . . 0.0 108.416 177.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . 0.708 ' HB ' HG13 ' C' ' 93' ' ' VAL . 3.5 t -94.17 98.25 2.77 Favored Pre-proline 0 C--N 1.32 -0.677 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 171.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -60.97 -31.92 91.89 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 N-CA-C 117.809 2.196 . . . . 0.0 117.809 -167.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -91.14 8.61 34.77 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 117.875 -1.53 . . . . 0.0 112.195 -164.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . 0.544 ' HB2' HG11 ' C' ' 93' ' ' VAL . 10.7 t -85.1 119.63 72.68 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -56.83 -19.95 33.67 Favored 'Trans proline' 0 C--N 1.346 0.395 0 O-C-N 123.049 1.026 . . . . 0.0 114.462 -173.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 87.8 p -65.51 -34.61 78.67 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.364 0.529 . . . . 0.0 110.073 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.04 64.88 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.563 -172.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 29.4 mtm180 -121.06 17.16 11.66 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 116.168 1.914 . . . . 0.0 116.168 -178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . 0.708 HG13 ' HB ' ' C' ' 85' ' ' VAL . 2.5 p -97.08 133.48 38.49 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.224 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 173.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . 0.774 ' OH ' ' HB2' ' C' ' 96' ' ' LEU . 0.0 OUTLIER -125.09 151.74 45.28 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.56 1.788 . . . . 0.0 110.412 178.638 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . 0.648 ' N ' ' CD1' ' C' ' 94' ' ' TYR . 0.8 OUTLIER -126.95 135.28 64.1 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.881 0 N-CA-C 109.066 -0.716 . . . . 0.0 109.066 179.225 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . 0.774 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 6.3 tt -95.34 108.22 20.38 Favored 'General case' 0 C--N 1.318 -0.781 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 169.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . 0.626 ' O ' ' HE3' ' C' ' 99' ' ' LYS . 7.7 mttt -109.3 125.19 52.05 Favored 'General case' 0 CA--C 1.484 -1.587 0 N-CA-C 108.241 -1.022 . . . . 0.0 108.241 -171.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -84.77 115.61 22.8 Favored 'General case' 0 C--O 1.241 0.646 0 O-C-N 124.011 0.819 . . . . 0.0 109.283 176.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . 0.626 ' HE3' ' O ' ' C' ' 97' ' ' LYS . 1.6 mmpt? -63.41 -25.13 68.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.986 -1.006 . . . . 0.0 111.395 -169.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.26 115.11 28.79 Favored 'General case' 0 C--O 1.236 0.39 0 N-CA-C 108.675 -0.861 . . . . 0.0 108.675 173.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . 0.405 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.96 172.37 27.64 Favored Glycine 0 N--CA 1.446 -0.638 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 -172.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 25.5 t -91.46 9.2 32.86 Favored 'General case' 0 C--N 1.316 -0.876 0 O-C-N 122.067 -0.667 . . . . 0.0 110.563 179.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 3.4 mmtm -70.68 129.21 38.54 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 117.868 -1.533 . . . . 0.0 110.656 -165.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . 0.492 ' C ' HD22 ' C' ' 105' ' ' LEU . 0.0 OUTLIER -135.1 141.7 46.09 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.929 175.859 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . 0.492 HD22 ' C ' ' C' ' 104' ' ' ARG . 3.0 mm? -124.46 126.22 45.55 Favored 'General case' 0 CA--C 1.502 -0.897 0 N-CA-C 105.861 -1.903 . . . . 0.0 105.861 171.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . 0.748 ' HB2' ' HG2' ' C' ' 31' ' ' MET . 0.9 OUTLIER -100.89 143.69 30.74 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.76 1.287 . . . . 0.0 110.339 -177.55 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . 0.648 ' CD1' ' CE2' ' C' ' 94' ' ' TYR . 4.2 m-85 -137.09 156.72 48.04 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.605 -1.18 . . . . 0.0 109.307 178.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 1.9 m95 -131.47 126.53 35.27 Favored 'General case' 0 N--CA 1.419 -1.995 0 C-N-CA 119.586 -0.846 . . . . 0.0 110.4 175.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 18.2 mmt -62.66 137.77 58.34 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.205 -174.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -118.92 3.98 11.49 Favored 'General case' 0 N--CA 1.429 -1.491 0 CA-C-N 114.64 -1.163 . . . . 0.0 110.315 179.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -61.24 135.91 93.79 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.118 1.437 . . . . 0.0 108.71 172.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.34 -41.36 42.19 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.58 -1.147 . . . . 0.0 112.33 -174.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -96.12 146.93 24.25 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.459 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.3 m -83.48 -9.25 59.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.868 -0.605 . . . . 0.0 111.125 178.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -53.62 -33.81 56.33 Favored 'General case' 0 C--O 1.221 -0.426 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -169.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -103.2 5.93 37.98 Favored 'General case' 0 C--O 1.223 -0.322 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -174.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -57.0 -48.77 77.67 Favored 'General case' 0 C--O 1.233 0.21 0 C-N-CA 118.978 -1.089 . . . . 0.0 110.225 -177.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -69.78 -32.29 70.69 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 119.313 -0.955 . . . . 0.0 110.56 -173.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.23 -44.03 80.51 Favored 'General case' 0 CA--C 1.553 1.068 0 CA-C-O 120.88 0.371 . . . . 0.0 110.949 175.465 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -55.62 -45.83 77.46 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 121.025 -1.047 . . . . 0.0 112.322 173.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . 0.807 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 1.2 m -60.63 -43.07 97.94 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-O 121.689 0.756 . . . . 0.0 110.326 179.004 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -43.48 98.77 Favored 'General case' 0 C--O 1.242 0.662 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.129 -179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -64.22 -42.38 96.6 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . 0.807 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 6.1 m -52.27 -51.9 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.457 175.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . 0.42 ' N ' HG23 ' C' ' 124' ' ' VAL . 0.5 OUTLIER -60.33 -39.49 87.24 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 112.92 0.711 . . . . 0.0 112.92 -178.771 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -65.29 -46.1 81.77 Favored 'General case' 0 CA--C 1.515 -0.397 0 C-N-CA 120.878 -0.329 . . . . 0.0 111.373 -178.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . 0.593 ' HD1' ' HB ' ' C' ' 49' ' ' ILE . 11.4 t80 -79.04 -24.47 43.58 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.421 -0.912 . . . . 0.0 112.35 -174.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 1.026 HD22 ' O ' ' C' ' 128' ' ' LEU . 0.0 OUTLIER -78.97 -36.09 41.99 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.785 -0.766 . . . . 0.0 112.317 174.462 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . 0.839 ' N ' HD13 ' C' ' 128' ' ' LEU . 0.0 OUTLIER -110.8 -11.09 14.42 Favored 'General case' 0 CA--C 1.514 -0.436 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 -168.573 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -141.17 71.87 27.4 Favored Pre-proline 0 N--CA 1.468 0.435 0 N-CA-C 113.609 0.966 . . . . 0.0 113.609 169.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_exo -47.05 168.02 0.07 OUTLIER 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.635 1.557 . . . . 0.0 111.584 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 82.2 Cg_exo . . . . . 0 C--N 1.29 -2.534 0 C-N-CA 122.566 2.177 . . . . 0.0 111.625 179.644 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 mmt . . . . . 0 CA--C 1.549 0.92 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.0 tt0 -91.05 138.16 31.81 Favored 'General case' 0 C--O 1.264 1.829 0 O-C-N 126.923 2.64 . . . . 0.0 108.933 178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.793 HD11 HG22 ' A' ' 61' ' ' ILE . 0.0 OUTLIER -131.19 163.08 38.01 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.395 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 173.466 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.525 ' N ' HG23 ' A' ' 3' ' ' ILE . 1.0 OUTLIER -115.95 140.25 49.43 Favored 'General case' 0 N--CA 1.515 2.779 1 O-C-N 130.671 4.982 . . . . 0.0 108.726 179.623 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.9 t -118.1 114.21 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.757 0 CA-C-O 113.373 -3.203 . . . . 0.0 105.594 175.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.17 127.59 41.34 Favored 'General case' 0 N--CA 1.507 2.388 1 O-C-N 129.358 4.161 . . . . 0.0 107.925 -178.121 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.669 HG22 ' O ' ' A' ' 11' ' ' LYS . 9.0 t -99.61 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.741 0 CA-C-O 117.85 -1.072 . . . . 0.0 109.402 179.73 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.1 mt -73.41 -7.04 50.04 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 124.084 0.865 . . . . 0.0 112.638 -177.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.56 ' H ' HG23 ' A' ' 7' ' ' THR . 0.8 OUTLIER -101.53 15.19 29.67 Favored 'General case' 0 N--CA 1.502 2.151 0 C-N-CA 115.675 -2.41 . . . . 0.0 112.013 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.24 16.77 80.23 Favored Glycine 0 C--N 1.298 -1.562 0 O-C-N 120.262 -1.524 . . . . 0.0 116.098 179.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.669 ' O ' HG22 ' A' ' 7' ' ' THR . 0.1 OUTLIER -96.55 138.06 34.69 Favored 'General case' 0 C--N 1.31 -1.11 0 N-CA-C 105.342 -2.096 . . . . 0.0 105.342 174.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.5 t -119.95 131.64 55.25 Favored 'General case' 0 N--CA 1.475 0.823 0 O-C-N 126.655 2.472 . . . . 0.0 105.964 176.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.2 mp -109.55 141.98 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 127.546 3.029 . . . . 0.0 108.912 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.1 t -101.49 139.8 36.65 Favored 'General case' 0 N--CA 1.495 1.79 0 C-N-CA 117.114 -1.835 . . . . 0.0 108.118 178.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.79 HD12 ' HG2' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -126.51 154.01 44.37 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-O 115.392 -2.242 . . . . 0.0 108.261 -179.084 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -111.88 121.06 44.02 Favored 'General case' 0 N--CA 1.498 1.952 1 O-C-N 129.286 4.116 . . . . 0.0 103.687 173.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 18' ' ' GLU . 0.4 OUTLIER -138.94 170.61 15.98 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 O-C-N 127.614 3.071 . . . . 0.0 111.267 -177.873 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.436 ' N ' HG13 ' A' ' 17' ' ' VAL . 8.1 mm-40 -119.91 144.51 37.57 Favored Pre-proline 0 C--N 1.315 -0.93 0 CA-C-N 112.4 -2.182 . . . . 0.0 106.371 174.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_exo -54.98 -24.37 39.3 Favored 'Trans proline' 0 C--N 1.32 -0.947 0 C-N-CA 122.6 2.2 . . . . 0.0 111.968 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.96 -8.18 59.19 Favored 'General case' 0 C--O 1.244 0.771 0 CA-C-O 118.013 -0.994 . . . . 0.0 110.931 -177.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -71.0 148.35 47.72 Favored 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 117.404 -1.718 . . . . 0.0 109.851 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.66 160.47 21.34 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 108.242 -1.022 . . . . 0.0 108.242 175.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.655 HD13 ' O ' ' A' ' 51' ' ' GLU . 1.8 mt -61.42 -37.05 76.84 Favored 'Isoleucine or valine' 0 C--O 1.248 0.978 0 O-C-N 127.158 2.786 . . . . 0.0 110.224 175.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.61 -40.15 78.49 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.273 -0.892 . . . . 0.0 110.729 177.055 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.34 -41.9 80.07 Favored 'General case' 0 C--O 1.262 1.724 0 O-C-N 121.955 -0.466 . . . . 0.0 110.964 -178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.19 -46.4 88.59 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.749 0 O-C-N 124.445 1.091 . . . . 0.0 109.234 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt -60.9 -37.87 83.73 Favored 'General case' 0 C--O 1.258 1.503 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.711 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.23 -38.02 86.93 Favored 'General case' 0 C--O 1.278 2.555 0 CA-C-N 118.14 0.427 . . . . 0.0 111.107 176.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.79 ' HG2' HD12 ' A' ' 15' ' ' LEU . 3.8 tptt -64.22 -37.37 87.21 Favored 'General case' 0 C--O 1.254 1.321 0 O-C-N 120.391 -1.443 . . . . 0.0 110.738 176.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.9 mt -70.07 -39.54 77.33 Favored 'Isoleucine or valine' 0 C--O 1.252 1.21 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -62.23 -48.74 78.65 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-O 125.524 2.583 . . . . 0.0 109.13 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.19 -41.79 65.6 Favored 'General case' 0 C--O 1.253 1.264 0 CA-C-N 113.461 -1.699 . . . . 0.0 111.881 178.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.315 22.6 tttm -93.65 -24.14 17.99 Favored 'General case' 0 C--O 1.28 2.663 0 N-CA-C 117.158 2.281 . . . . 0.0 117.158 -175.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -123.43 -6.47 8.17 Favored 'General case' 0 C--N 1.304 -1.407 0 CA-C-N 123.072 2.669 . . . . 0.0 114.258 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.61 90.01 Favored Glycine 0 CA--C 1.478 -2.264 0 N-CA-C 118.879 2.311 . . . . 0.0 118.879 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.483 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 31.7 mm -79.78 124.74 83.28 Favored Pre-proline 0 C--O 1.244 0.768 0 C-N-CA 118.839 -1.144 . . . . 0.0 110.93 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.483 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.6 Cg_exo -56.96 136.8 78.78 Favored 'Trans proline' 0 C--O 1.259 1.528 0 C-N-CA 123.208 2.605 . . . . 0.0 110.846 178.298 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -57.09 -31.94 91.82 Favored 'Trans proline' 0 C--O 1.262 1.709 0 O-C-N 122.975 0.987 . . . . 0.0 113.674 -179.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 p-10 -68.39 -15.41 63.54 Favored 'General case' 0 C--O 1.263 1.784 0 O-C-N 119.938 -1.726 . . . . 0.0 112.263 -177.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -96.01 -10.23 29.06 Favored 'General case' 0 N--CA 1.482 1.129 0 O-C-N 120.544 -1.348 . . . . 0.0 112.064 178.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -84.85 129.61 34.79 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-O 124.39 2.043 . . . . 0.0 115.745 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -121.08 116.08 24.34 Favored 'General case' 0 C--O 1.299 3.663 0 N-CA-C 104.998 -2.223 . . . . 0.0 104.998 171.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.57 130.18 50.93 Favored 'General case' 0 N--CA 1.489 1.477 0 CA-C-N 119.436 1.016 . . . . 0.0 109.883 -177.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.497 ' O ' HG12 ' A' ' 44' ' ' ILE . 0.1 OUTLIER -122.02 131.87 72.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.793 0 O-C-N 125.125 1.516 . . . . 0.0 111.877 -177.559 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -144.38 129.55 18.67 Favored 'General case' 0 C--N 1.359 1.013 0 N-CA-C 105.424 -2.065 . . . . 0.0 105.424 177.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.19 46.05 19.82 Favored 'General case' 0 C--N 1.31 -1.139 0 CA-C-N 112.207 -2.269 . . . . 0.0 110.746 177.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.72 60.99 Favored Glycine 0 N--CA 1.433 -1.555 0 C-N-CA 128.614 3.007 . . . . 0.0 117.468 -179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -115.12 142.8 46.15 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 177.693 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.82 130.3 34.59 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 103.795 -2.668 . . . . 0.0 103.795 174.599 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HB3' HG12 ' A' ' 23' ' ' ILE . 3.8 mt -79.53 138.09 37.39 Favored 'General case' 0 C--N 1.314 -0.966 0 CA-C-O 117.611 -1.185 . . . . 0.0 110.213 -175.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.655 ' O ' HD13 ' A' ' 23' ' ' ILE . 52.3 mm-40 -101.74 140.05 36.56 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 125.16 1.537 . . . . 0.0 109.907 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -47.92 -42.52 27.41 Favored 'General case' 0 C--O 1.263 1.802 0 N-CA-C 120.762 3.616 . . . . 0.0 120.762 -175.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.65 -8.99 85.3 Favored Glycine 0 CA--C 1.491 -1.44 0 N-CA-C 116.183 1.233 . . . . 0.0 116.183 -177.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.428 ' O ' HD12 ' A' ' 23' ' ' ILE . 3.1 mmt85 -85.37 165.42 17.25 Favored 'General case' 0 C--O 1.25 1.105 0 O-C-N 119.751 -2.029 . . . . 0.0 108.007 176.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 29.2 p -104.54 164.91 11.42 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 106.559 -1.645 . . . . 0.0 106.559 177.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.58 -36.09 79.67 Favored 'General case' 0 C--O 1.202 -1.435 0 N-CA-C 108.126 -1.064 . . . . 0.0 108.126 177.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.07 -29.55 70.68 Favored 'General case' 0 C--O 1.267 1.992 0 C-N-CA 117.366 -1.734 . . . . 0.0 112.197 -179.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -55.52 -39.56 70.67 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 122.416 1.103 . . . . 0.0 110.698 179.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -90.74 4.55 51.27 Favored 'General case' 0 C--N 1.3 -1.581 0 CA-C-O 117.712 -1.137 . . . . 0.0 113.011 179.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 58.11 45.25 17.96 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 121.596 1.998 . . . . 0.0 111.121 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.793 HG22 HD11 ' A' ' 3' ' ' ILE . 7.9 mt -88.79 116.64 30.76 Favored 'Isoleucine or valine' 0 C--O 1.266 1.935 0 CA-C-O 115.185 -2.341 . . . . 0.0 106.144 175.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.438 ' HB2' HD12 ' B' ' 73' ' ' LEU . 26.1 mt-30 -103.61 169.66 8.39 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 126.148 2.155 . . . . 0.0 109.381 -176.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 142.93 27.66 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-O 123.238 1.494 . . . . 0.0 109.014 -176.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.09 19.06 10.51 Favored 'General case' 0 C--O 1.254 1.318 0 N-CA-C 117.963 2.579 . . . . 0.0 117.963 179.297 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.506 ' HA ' HD23 ' B' ' 73' ' ' LEU . 3.9 m -71.13 159.6 34.39 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 107.326 -1.361 . . . . 0.0 107.326 174.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.474 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.9 OUTLIER -119.14 126.75 52.33 Favored 'General case' 0 C--N 1.308 -1.22 0 CA-C-O 118.128 -0.939 . . . . 0.0 108.836 175.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.7 mp -103.2 154.62 19.14 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 114.821 -2.514 . . . . 0.0 105.62 175.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.408 ' O ' HG23 ' A' ' 44' ' ' ILE . 5.8 t-160 -105.66 135.73 46.54 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 127.385 2.928 . . . . 0.0 105.833 177.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -106.86 115.74 30.71 Favored 'General case' 0 C--O 1.286 2.992 0 CA-C-O 117.641 -1.171 . . . . 0.0 111.496 176.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 70.8 t -108.08 139.94 28.39 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 N-CA-C 103.54 -2.763 . . . . 0.0 103.54 175.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 4.4 mp -96.07 138.85 33.1 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.309 0.576 . . . . 0.0 109.824 178.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -61.12 145.25 51.66 Favored 'General case' 0 C--N 1.279 -2.494 0 CA-C-O 113.134 -3.317 . . . . 0.0 105.625 178.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -102.77 147.93 26.25 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 125.881 1.988 . . . . 0.0 109.54 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -55.75 -39.95 71.87 Favored 'General case' 0 C--O 1.246 0.885 0 CA-C-N 113.662 -1.608 . . . . 0.0 108.848 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.76 61.55 4.63 Favored Glycine 0 C--O 1.247 0.942 0 CA-C-N 114.585 -1.189 . . . . 0.0 115.019 -178.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.462 0 N-CA-C 108.308 -1.917 . . . . 0.0 108.308 179.412 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.89 0 N-CA-C 107.235 -1.394 . . . . 0.0 107.235 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -90.9 138.42 31.61 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 127.102 2.751 . . . . 0.0 108.828 178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 11.8 pt -131.09 163.09 37.93 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.274 0 CA-C-O 115.787 -2.054 . . . . 0.0 105.92 173.163 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -115.94 140.11 49.57 Favored 'General case' 0 N--CA 1.515 2.811 1 O-C-N 130.65 4.969 . . . . 0.0 108.58 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 56.1 t -117.9 114.11 44.33 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.688 0 CA-C-O 113.364 -3.207 . . . . 0.0 105.864 175.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.16 127.61 41.34 Favored 'General case' 0 N--CA 1.503 2.178 1 O-C-N 129.26 4.1 . . . . 0.0 108.13 -178.054 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.57 170.9 8.27 Favored 'General case' 0 C--N 1.352 0.702 0 CA-C-O 117.783 -1.103 . . . . 0.0 109.267 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.566 HD21 ' HA ' ' B' ' 70' ' ' VAL . 0.0 OUTLIER -73.4 -6.99 49.76 Favored 'General case' 0 N--CA 1.482 1.174 0 O-C-N 124.12 0.887 . . . . 0.0 112.895 -178.306 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 14.7 t -101.2 14.71 31.1 Favored 'General case' 0 N--CA 1.506 2.353 0 C-N-CA 115.693 -2.403 . . . . 0.0 111.924 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.51 16.72 79.99 Favored Glycine 0 C--N 1.295 -1.708 0 O-C-N 120.235 -1.541 . . . . 0.0 116.01 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -96.34 137.96 34.65 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.472 -2.047 . . . . 0.0 105.472 174.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.91 132.01 55.4 Favored 'General case' 0 N--CA 1.472 0.631 0 O-C-N 126.439 2.337 . . . . 0.0 106.154 176.136 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.408 HD13 HG21 ' B' ' 13' ' ' ILE . 0.0 OUTLIER -109.54 141.79 23.86 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 127.764 3.165 . . . . 0.0 109.113 179.764 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 14.8 t -101.21 139.85 36.32 Favored 'General case' 0 N--CA 1.497 1.897 0 C-N-CA 117.026 -1.869 . . . . 0.0 108.37 177.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -126.46 154.14 44.11 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-O 115.554 -2.165 . . . . 0.0 108.354 -179.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -111.86 121.17 44.33 Favored 'General case' 0 N--CA 1.496 1.858 1 O-C-N 129.196 4.06 . . . . 0.0 103.511 174.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 28.4 m -139.07 170.69 15.74 Favored 'Isoleucine or valine' 0 C--O 1.253 1.244 0 O-C-N 127.815 3.197 . . . . 0.0 111.184 -177.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -120.1 144.64 38.19 Favored Pre-proline 0 C--N 1.312 -1.041 0 CA-C-N 112.05 -2.341 . . . . 0.0 106.332 174.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.5 Cg_exo -55.0 -24.75 41.2 Favored 'Trans proline' 0 C--N 1.317 -1.11 0 C-N-CA 122.636 2.224 . . . . 0.0 111.52 177.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 25.1 t -79.87 -8.07 59.09 Favored 'General case' 0 C--O 1.241 0.647 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.91 -177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 26.0 m-20 -71.05 148.52 47.47 Favored 'General case' 0 N--CA 1.488 1.458 0 C-N-CA 117.366 -1.734 . . . . 0.0 109.707 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.8 160.58 21.18 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 175.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.662 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.4 mp -61.45 -36.87 75.89 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 O-C-N 126.925 2.641 . . . . 0.0 110.462 175.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.11 -42.83 77.46 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.468 -1.395 . . . . 0.0 111.017 176.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -64.61 -44.49 90.41 Favored 'General case' 0 C--O 1.251 1.155 0 C-N-CA 124.224 1.009 . . . . 0.0 111.329 -179.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -58.69 -46.16 90.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 O-C-N 124.831 1.332 . . . . 0.0 108.945 179.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 mtmt -60.81 -37.92 83.63 Favored 'General case' 0 C--O 1.255 1.368 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.856 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.07 86.91 Favored 'General case' 0 C--O 1.278 2.555 0 O-C-N 123.365 0.416 . . . . 0.0 111.302 176.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 11.9 mtpp -64.01 -37.38 87.21 Favored 'General case' 0 C--O 1.253 1.263 0 O-C-N 120.485 -1.384 . . . . 0.0 110.843 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 48.7 mm -69.72 -39.77 78.42 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 11.9 tt0 -61.94 -48.77 78.92 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 125.614 2.626 . . . . 0.0 109.044 179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.5 -41.71 66.59 Favored 'General case' 0 C--O 1.257 1.452 0 CA-C-N 113.613 -1.631 . . . . 0.0 111.866 179.212 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 21.5 tttt -93.35 -24.43 18.1 Favored 'General case' 0 C--O 1.28 2.684 0 N-CA-C 117.197 2.295 . . . . 0.0 117.197 -175.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -123.65 -6.24 8.06 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 122.986 2.63 . . . . 0.0 113.8 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.58 90.06 Favored Glycine 0 CA--C 1.476 -2.391 0 N-CA-C 118.817 2.287 . . . . 0.0 118.817 176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.629 HG23 ' CD ' ' B' ' 40' ' ' GLN . 1.3 mp -79.83 125.09 82.88 Favored Pre-proline 0 N--CA 1.473 0.708 0 C-N-CA 118.674 -1.21 . . . . 0.0 111.016 179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.517 ' HD2' ' NE2' ' B' ' 40' ' ' GLN . 82.8 Cg_exo -57.23 137.07 80.06 Favored 'Trans proline' 0 C--O 1.255 1.371 0 C-N-CA 122.959 2.439 . . . . 0.0 110.86 178.243 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.465 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.4 Cg_exo -57.27 -32.21 93.03 Favored 'Trans proline' 0 C--O 1.262 1.69 0 O-C-N 123.056 1.029 . . . . 0.0 113.343 -179.111 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -68.29 -15.52 63.6 Favored 'General case' 0 C--O 1.263 1.79 0 O-C-N 120.002 -1.686 . . . . 0.0 112.244 -177.526 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.643 ' HB2' HD21 ' B' ' 71' ' ' LEU . 0.7 OUTLIER -95.54 -10.56 29.32 Favored 'General case' 0 N--CA 1.481 1.093 0 O-C-N 120.571 -1.331 . . . . 0.0 112.305 178.399 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 23.8 mt-30 -84.92 129.69 34.76 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-O 124.259 1.98 . . . . 0.0 115.763 -177.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.608 ' HB3' HG13 ' B' ' 70' ' ' VAL . 3.9 tpm_? -121.17 116.26 24.61 Favored 'General case' 0 C--O 1.298 3.657 0 N-CA-C 104.739 -2.319 . . . . 0.0 104.739 172.206 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.67 130.25 51.12 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 119.432 1.015 . . . . 0.0 110.077 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.409 HD11 ' O ' ' C' ' 99' ' ' LYS . 1.8 mm -122.02 131.53 72.95 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.764 0 O-C-N 125.088 1.493 . . . . 0.0 112.002 -177.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.439 ' CD2' HD12 ' B' ' 67' ' ' LEU . 16.2 t80 -144.18 129.78 19.1 Favored 'General case' 0 C--N 1.358 0.973 0 N-CA-C 105.35 -2.093 . . . . 0.0 105.35 177.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.18 45.91 19.8 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-N 112.052 -2.34 . . . . 0.0 110.719 177.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.93 20.19 59.73 Favored Glycine 0 C--N 1.3 -1.456 0 C-N-CA 128.249 2.833 . . . . 0.0 117.315 -179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 7.8 mtp180 -109.87 143.86 39.18 Favored 'General case' 0 C--N 1.305 -1.361 0 CA-C-O 115.425 -2.226 . . . . 0.0 110.877 174.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 3.2 tm0? -87.18 130.32 34.59 Favored 'General case' 0 C--N 1.281 -2.396 0 N-CA-C 104.045 -2.576 . . . . 0.0 104.045 173.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 7.0 mt -79.54 138.4 37.48 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-O 117.602 -1.189 . . . . 0.0 110.11 -175.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.662 ' O ' HD13 ' B' ' 23' ' ' ILE . 4.8 tt0 -101.89 139.98 36.79 Favored 'General case' 0 N--CA 1.478 0.938 0 O-C-N 125.261 1.6 . . . . 0.0 109.948 -177.632 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.24 -42.04 29.24 Favored 'General case' 0 C--O 1.263 1.781 0 N-CA-C 120.768 3.618 . . . . 0.0 120.768 -175.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.19 -8.56 85.25 Favored Glycine 0 CA--C 1.492 -1.352 0 N-CA-C 116.019 1.168 . . . . 0.0 116.019 -177.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.579 ' O ' HD12 ' B' ' 23' ' ' ILE . 2.6 mmt85 -85.68 165.24 17.14 Favored 'General case' 0 C--O 1.251 1.162 0 O-C-N 120.091 -1.829 . . . . 0.0 107.932 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.449 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 1.2 p -104.27 164.49 11.69 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 176.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.09 -36.4 79.58 Favored 'General case' 0 C--O 1.2 -1.501 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 177.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -63.59 -29.81 71.01 Favored 'General case' 0 C--O 1.266 1.962 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.265 -179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.55 -39.17 70.25 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-O 122.633 1.206 . . . . 0.0 110.824 179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -91.05 4.5 51.95 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 117.598 -1.192 . . . . 0.0 112.92 179.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 47.7 t30 57.97 45.37 18.22 Favored 'General case' 0 N--CA 1.479 0.979 0 CA-C-N 121.673 2.033 . . . . 0.0 111.232 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 5.0 mt -88.75 116.26 30.09 Favored 'Isoleucine or valine' 0 C--O 1.27 2.152 0 CA-C-O 115.063 -2.399 . . . . 0.0 106.237 175.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.39 169.54 8.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 126.106 2.129 . . . . 0.0 109.768 -176.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -54.91 142.95 27.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-O 123.221 1.486 . . . . 0.0 109.249 -176.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 67.04 19.08 10.56 Favored 'General case' 0 C--O 1.257 1.458 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.03 159.56 34.52 Favored 'General case' 0 CA--C 1.546 0.823 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 174.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 24.9 m -118.97 126.6 52.13 Favored 'General case' 0 C--N 1.306 -1.287 0 CA-C-O 118.229 -0.891 . . . . 0.0 108.817 175.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.439 HD12 ' CD2' ' B' ' 45' ' ' PHE . 5.4 mp -103.2 154.55 19.21 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 114.69 -2.576 . . . . 0.0 105.721 174.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -105.66 135.71 46.59 Favored 'General case' 0 C--N 1.283 -2.313 0 O-C-N 127.54 3.025 . . . . 0.0 105.677 178.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.11 115.85 30.89 Favored 'General case' 0 C--O 1.284 2.887 0 CA-C-O 117.718 -1.134 . . . . 0.0 111.428 176.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.608 HG13 ' HB3' ' B' ' 42' ' ' ARG . 0.2 OUTLIER -108.12 140.0 28.24 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 N-CA-C 103.404 -2.813 . . . . 0.0 103.404 175.264 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.649 ' C ' HD23 ' B' ' 71' ' ' LEU . 3.3 tt -96.15 -83.61 0.37 Allowed 'General case' 0 N--CA 1.479 1.02 0 CA-C-O 121.132 0.492 . . . . 0.0 109.743 178.421 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.475 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.0 OUTLIER 158.12 144.08 0.01 OUTLIER 'General case' 0 C--N 1.278 -2.542 0 CA-C-O 113.473 -3.156 . . . . 0.0 105.43 179.762 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . 0.506 HD23 ' HA ' ' A' ' 65' ' ' SER . 2.6 mm? -120.8 -57.58 1.88 Allowed 'General case' 0 C--N 1.295 -1.777 0 O-C-N 125.647 1.842 . . . . 0.0 109.666 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.5 mtt180 169.94 157.65 0.06 Allowed 'General case' 0 C--O 1.243 0.716 0 CA-C-N 113.898 -1.501 . . . . 0.0 108.679 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . 166.09 -157.47 29.95 Favored Glycine 0 C--O 1.243 0.699 0 CA-C-N 114.849 -1.069 . . . . 0.0 115.217 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.443 0 CA-C-O 116.639 -2.201 . . . . 0.0 108.341 179.149 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 121.935 0.874 . . . . 0.0 110.947 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -79.14 -62.56 1.66 Allowed 'General case' 0 C--N 1.29 -2.012 0 O-C-N 119.073 -2.267 . . . . 0.0 111.056 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -51.43 -59.87 3.76 Favored 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 126.762 2.025 . . . . 0.0 110.726 179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -89.02 137.86 31.93 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.591 -178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.496 HD22 ' CE1' ' C' ' 127' ' ' TYR . 4.6 mt -70.18 -39.6 75.15 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.646 0.736 . . . . 0.0 111.833 172.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 t -144.34 136.07 21.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 125.246 1.418 . . . . 0.0 107.483 -178.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.36 148.0 34.16 Favored 'General case' 0 CA--C 1.515 -0.374 0 C-N-CA 119.705 -0.798 . . . . 0.0 110.527 165.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -161.01 155.2 22.89 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.296 0.997 . . . . 0.0 111.213 173.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 60.7 mtp180 -72.21 127.79 33.66 Favored 'General case' 0 C--O 1.254 1.329 0 CA-C-N 114.197 -1.365 . . . . 0.0 112.365 178.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.15 147.66 6.77 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.126 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.97 164.82 25.16 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.258 -1.937 . . . . 0.0 108.258 175.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 -179.16 3.77 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . 0.727 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.1 mpt? -137.15 161.08 37.13 Favored 'General case' 0 N--CA 1.439 -0.985 0 N-CA-C 107.378 -1.342 . . . . 0.0 107.378 174.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 1.6 t -136.68 156.58 48.35 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 118.045 -1.462 . . . . 0.0 108.773 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 7.7 mp -92.76 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 17.3 mmtt -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.24 -116.0 8.56 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -114.06 14.57 18.35 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.394 -0.403 . . . . 0.0 109.914 178.127 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 54.5 m -112.05 122.53 48.01 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 12.9 t -76.13 120.06 25.4 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.287 0 N-CA-C 107.101 -1.444 . . . . 0.0 107.101 174.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -124.13 119.37 26.49 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.147 -173.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . 0.727 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 31.8 Cg_exo -59.92 134.79 58.95 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 117.937 -0.909 . . . . 0.0 111.907 173.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -85.7 132.2 34.19 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.349 -2.093 . . . . 0.0 105.349 172.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.9 -11.33 59.6 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.635 0.976 . . . . 0.0 113.635 -172.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 60.5 mtm180 -67.0 144.44 56.2 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -173.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.18 125.58 26.83 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 171.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . 0.447 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.34 171.24 21.58 Favored Glycine 0 C--N 1.317 -0.517 0 CA-C-O 123.205 1.447 . . . . 0.0 115.321 -179.039 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -128.43 124.4 36.14 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.318 -1.734 . . . . 0.0 106.318 175.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 1.6 t -91.04 137.56 21.48 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.095 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 164.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 44.8 p90 -151.88 157.84 42.4 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 122.025 0.917 . . . . 0.0 113.009 175.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.429 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 16.2 mt -118.87 131.01 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 113.541 -1.663 . . . . 0.0 108.396 174.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.97 137.6 44.91 Favored 'General case' 0 CA--C 1.495 -1.137 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -178.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -100.18 122.04 42.38 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 170.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 8.7 p -84.05 171.11 13.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.235 0.54 . . . . 0.0 111.314 177.564 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -71.46 -10.54 59.92 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -170.29 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -82.68 7.41 14.92 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-O 120.43 0.157 . . . . 0.0 110.99 171.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 3.9 p 73.83 -1.25 3.12 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 125.483 1.513 . . . . 0.0 114.684 -177.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . 0.702 ' HB3' HD13 ' C' ' 74' ' ' ILE . 17.6 mt -74.89 149.9 39.35 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 119.216 -0.994 . . . . 0.0 113.107 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.58 ' O ' HD12 ' C' ' 74' ' ' ILE . 5.8 mm -102.2 129.08 54.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.093 -0.958 . . . . 0.0 109.122 -177.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.429 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.1 OUTLIER -117.59 125.3 50.54 Favored 'General case' 0 CA--C 1.512 -0.496 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 -176.515 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -98.8 118.95 36.7 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 106.765 -1.569 . . . . 0.0 106.765 171.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 92.9 m -127.59 156.84 41.62 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 113.577 0.955 . . . . 0.0 113.577 -171.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . 0.509 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.53 128.32 40.9 Favored 'General case' 0 C--O 1.243 0.729 0 CA-C-N 113.543 -1.662 . . . . 0.0 108.668 169.241 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -120.66 134.34 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.745 -176.313 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -74.23 115.27 13.54 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 107.744 -1.206 . . . . 0.0 107.744 173.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -63.96 -32.46 74.0 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.65 1.352 . . . . 0.0 114.65 -176.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -72.42 -46.26 55.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 -175.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.37 -20.52 21.74 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.536 -176.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.57 2.65 60.71 Favored Glycine 0 CA--C 1.529 0.931 0 CA-C-O 119.721 -0.489 . . . . 0.0 113.74 -171.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -72.44 130.0 39.65 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.734 1.267 . . . . 0.0 113.195 178.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 99.4 t -84.17 109.11 17.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 173.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -94.45 -28.91 15.23 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.736 -0.786 . . . . 0.0 111.01 -171.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -122.02 135.53 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.877 0.846 . . . . 0.0 109.386 177.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -154.96 103.38 2.4 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.513 -2.403 . . . . 0.0 104.513 -178.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.11 123.26 45.15 Favored 'General case' 0 N--CA 1.436 -1.147 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.282 -174.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . 0.702 HD13 ' HB3' ' C' ' 56' ' ' LEU . 1.3 tp -75.83 124.29 33.59 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.441 1.115 . . . . 0.0 111.694 168.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.614 HG21 ' HG ' ' C' ' 128' ' ' LEU . 1.0 OUTLIER -122.93 130.33 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.365 0 CA-C-N 114.615 -1.175 . . . . 0.0 109.641 -174.409 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -101.29 158.99 30.73 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.441 1.088 . . . . 0.0 110.89 173.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -54.22 133.85 57.69 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.91 2.407 . . . . 0.0 111.334 -179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.43 6.91 5.94 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.667 2.099 . . . . 0.0 116.667 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . 0.42 ' HA ' HD12 ' A' ' 44' ' ' ILE . 1.2 m-20 -70.45 -33.61 71.49 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.028 0.831 . . . . 0.0 109.563 176.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 23.3 p -154.88 168.16 27.85 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.54 -1.264 . . . . 0.0 113.699 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 6.9 mp0 -133.49 139.29 46.58 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 113.456 -1.702 . . . . 0.0 106.954 -178.11 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -106.67 124.21 49.27 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.6 156.39 42.34 Favored 'General case' 0 C--N 1.317 -0.809 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -177.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -67.67 142.87 56.23 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.06 -0.973 . . . . 0.0 108.416 177.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 77.0 t -94.37 98.37 2.94 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.165 -1.791 . . . . 0.0 106.165 171.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -61.04 -31.88 91.47 Favored 'Trans proline' 0 N--CA 1.476 0.49 0 N-CA-C 117.853 2.213 . . . . 0.0 117.853 -167.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -91.12 8.6 34.8 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 117.933 -1.507 . . . . 0.0 112.203 -164.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 24.2 m -85.07 119.62 72.7 Favored Pre-proline 0 CA--C 1.516 -0.355 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 174.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.94 -19.85 33.95 Favored 'Trans proline' 0 C--N 1.347 0.462 0 O-C-N 123.01 1.005 . . . . 0.0 114.451 -173.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 85.7 p -65.53 -34.62 78.68 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 118.394 0.543 . . . . 0.0 110.07 177.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.0 64.83 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.563 -172.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 11.8 mtp85 -120.98 17.08 11.73 Favored 'General case' 0 CA--C 1.512 -0.492 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -96.92 133.42 38.47 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 173.546 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -125.03 151.8 45.11 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 125.56 1.788 . . . . 0.0 110.381 178.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 11.5 p -127.08 135.4 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.864 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -95.44 108.1 20.29 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 104.898 -2.26 . . . . 0.0 104.898 169.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.2 125.19 51.96 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -171.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -84.81 115.68 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.182 0.926 . . . . 0.0 109.205 176.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . 0.409 ' O ' HD11 ' B' ' 44' ' ' ILE . 0.0 OUTLIER -63.39 -25.21 68.18 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.029 -0.987 . . . . 0.0 111.371 -169.61 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.23 115.17 28.91 Favored 'General case' 0 C--O 1.235 0.329 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 173.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . 0.475 ' H ' HG21 ' B' ' 70' ' ' VAL . . . 101.86 172.46 27.78 Favored Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.699 -0.96 . . . . 0.0 110.699 -172.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 85.3 p -91.37 8.94 33.73 Favored 'General case' 0 C--N 1.317 -0.844 0 O-C-N 121.99 -0.712 . . . . 0.0 110.55 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -70.66 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.571 -165.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.01 141.83 46.29 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.946 175.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -124.62 126.2 45.38 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 171.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . 0.427 ' CB ' ' SD ' ' C' ' 31' ' ' MET . 75.4 m-85 -100.92 143.74 30.71 Favored 'General case' 0 N--CA 1.441 -0.884 0 O-C-N 124.698 1.249 . . . . 0.0 110.301 -177.505 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -137.12 156.69 48.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.55 -1.205 . . . . 0.0 109.203 178.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.4 126.58 35.52 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.495 -0.882 . . . . 0.0 110.41 175.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.58 137.72 58.32 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.259 -174.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 9.0 mm-40 -118.86 3.99 11.53 Favored 'General case' 0 N--CA 1.429 -1.519 0 CA-C-N 114.638 -1.165 . . . . 0.0 110.289 179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -61.22 135.88 93.74 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.128 1.442 . . . . 0.0 108.655 172.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -61.28 -41.33 42.87 Favored 'Trans proline' 0 C--O 1.245 0.869 0 C-N-CA 117.604 -1.13 . . . . 0.0 112.466 -174.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -96.18 146.96 24.24 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.475 173.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.0 t -83.47 -9.28 59.09 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.131 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -53.53 -33.82 55.92 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -103.28 5.99 37.78 Favored 'General case' 0 C--O 1.224 -0.287 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -174.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -56.96 -48.78 77.53 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 118.955 -1.098 . . . . 0.0 110.327 -177.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -69.76 -32.25 70.67 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.43 -0.908 . . . . 0.0 110.576 -173.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -67.32 -44.1 79.99 Favored 'General case' 0 CA--C 1.554 1.114 0 CA-C-O 120.923 0.392 . . . . 0.0 110.885 175.509 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 67.5 m-70 -55.49 -45.93 76.98 Favored 'General case' 0 N--CA 1.477 0.886 0 O-C-N 121.021 -1.05 . . . . 0.0 112.37 173.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 3.9 t -60.56 -43.1 97.65 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-O 121.63 0.729 . . . . 0.0 110.293 178.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 10.0 mtt85 -62.01 -43.37 98.98 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.101 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.28 -42.28 96.49 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 178.529 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 40.8 t -52.27 -51.94 28.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.067 0 C-N-CA 120.089 -0.644 . . . . 0.0 110.448 175.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -60.33 -39.5 87.3 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 -178.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -65.21 -46.1 82.05 Favored 'General case' 0 CA--C 1.513 -0.472 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.51 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . 0.496 ' CE1' HD22 ' C' ' 23' ' ' LEU . 41.1 m-85 -78.95 -24.4 43.94 Favored 'General case' 0 C--O 1.217 -0.649 0 C-N-CA 119.495 -0.882 . . . . 0.0 112.44 -174.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.614 ' HG ' HG21 ' C' ' 75' ' ' ILE . 7.1 mp -79.09 -36.17 41.2 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 119.782 -0.767 . . . . 0.0 112.245 174.473 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -110.71 -11.11 14.44 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.024 0.75 . . . . 0.0 113.024 -168.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -141.17 71.95 27.34 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 169.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 91.8 Cg_endo -81.31 170.43 14.78 Favored 'Trans proline' 0 C--N 1.314 -1.241 0 C-N-CA 121.594 1.53 . . . . 0.0 111.624 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo . . . . . 0 C--N 1.29 -2.524 0 C-N-CA 122.431 2.087 . . . . 0.0 111.636 179.866 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 mtp . . . . . 0 CA--C 1.548 0.9 0 N-CA-C 106.868 -1.531 . . . . 0.0 106.868 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -91.21 138.22 31.76 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 126.875 2.609 . . . . 0.0 108.767 178.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.523 HG23 ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -131.24 163.01 38.22 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.398 0 N-CA-C 105.542 -2.021 . . . . 0.0 105.542 173.462 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.523 ' N ' HG23 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -115.91 140.26 49.42 Favored 'General case' 0 N--CA 1.514 2.743 1 O-C-N 130.605 4.941 . . . . 0.0 108.81 179.602 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.11 114.17 44.38 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 CA-C-O 113.399 -3.191 . . . . 0.0 105.601 175.778 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.18 127.57 41.33 Favored 'General case' 0 N--CA 1.507 2.379 1 O-C-N 129.371 4.169 . . . . 0.0 107.922 -178.123 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.59 170.82 8.33 Favored 'General case' 0 C--N 1.353 0.72 0 CA-C-O 117.878 -1.058 . . . . 0.0 109.358 179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.422 HD11 HG23 ' A' ' 70' ' ' VAL . 60.9 mt -73.37 -7.01 49.86 Favored 'General case' 0 N--CA 1.479 1.022 0 O-C-N 124.057 0.848 . . . . 0.0 112.708 -177.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 61.8 p -101.53 15.12 29.87 Favored 'General case' 0 N--CA 1.5 2.062 0 C-N-CA 115.673 -2.411 . . . . 0.0 112.048 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.25 16.72 80.26 Favored Glycine 0 C--N 1.298 -1.567 0 O-C-N 120.222 -1.548 . . . . 0.0 116.146 179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.5 138.1 34.59 Favored 'General case' 0 C--N 1.31 -1.131 0 N-CA-C 105.285 -2.117 . . . . 0.0 105.285 175.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -119.9 131.72 55.32 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 126.605 2.441 . . . . 0.0 105.895 176.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.451 HD12 ' HD3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -109.59 141.91 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 127.666 3.104 . . . . 0.0 108.851 179.711 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.2 t -101.45 139.65 36.82 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.144 -1.822 . . . . 0.0 108.184 178.113 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 61.7 mt -126.34 153.99 44.13 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 115.329 -2.272 . . . . 0.0 108.394 -179.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -111.82 121.13 44.22 Favored 'General case' 0 N--CA 1.498 1.974 1 O-C-N 129.252 4.095 . . . . 0.0 103.666 173.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.0 m -139.06 170.55 15.94 Favored 'Isoleucine or valine' 0 C--O 1.255 1.379 0 O-C-N 127.568 3.042 . . . . 0.0 111.203 -177.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -119.92 144.49 37.54 Favored Pre-proline 0 C--N 1.315 -0.91 0 CA-C-N 112.382 -2.19 . . . . 0.0 106.355 174.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_exo -54.96 -24.31 38.85 Favored 'Trans proline' 0 C--N 1.321 -0.887 0 C-N-CA 122.476 2.117 . . . . 0.0 111.973 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 p -80.04 -8.09 59.19 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 117.949 -1.025 . . . . 0.0 110.862 -177.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -71.08 148.43 47.5 Favored 'General case' 0 N--CA 1.486 1.365 0 C-N-CA 117.393 -1.723 . . . . 0.0 109.851 -179.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.76 160.58 21.22 Favored 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 175.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.414 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 22.7 mm -61.6 -36.95 76.59 Favored 'Isoleucine or valine' 0 C--O 1.246 0.897 0 O-C-N 127.265 2.853 . . . . 0.0 110.244 175.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.56 -40.18 78.34 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.297 -0.877 . . . . 0.0 110.783 176.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -68.33 -41.92 80.07 Favored 'General case' 0 C--O 1.261 1.667 0 O-C-N 121.847 -0.533 . . . . 0.0 110.939 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.2 -46.44 88.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.377 1.048 . . . . 0.0 109.148 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.7 mtpp -60.82 -37.91 83.63 Favored 'General case' 0 C--O 1.258 1.528 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.726 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.34 -37.95 86.53 Favored 'General case' 0 C--O 1.277 2.538 0 CA-C-N 118.088 0.404 . . . . 0.0 111.104 177.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -37.55 87.84 Favored 'General case' 0 C--O 1.255 1.35 0 O-C-N 120.375 -1.453 . . . . 0.0 110.716 175.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 6.7 mt -69.94 -39.57 77.67 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -62.23 -48.76 78.54 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 125.551 2.596 . . . . 0.0 109.112 179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.11 -41.75 65.32 Favored 'General case' 0 C--O 1.253 1.27 0 CA-C-N 113.46 -1.7 . . . . 0.0 111.987 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.451 ' HD3' HD12 ' A' ' 13' ' ' ILE 0.315 0.8 OUTLIER -93.65 -24.25 17.96 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.172 2.286 . . . . 0.0 117.172 -175.857 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -123.42 -6.42 8.18 Favored 'General case' 0 C--N 1.304 -1.387 0 CA-C-N 123.082 2.674 . . . . 0.0 114.209 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.06 5.72 89.94 Favored Glycine 0 CA--C 1.478 -2.236 0 N-CA-C 118.87 2.308 . . . . 0.0 118.87 176.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.486 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 3.3 mt -79.84 124.66 83.21 Favored Pre-proline 0 C--O 1.244 0.77 0 C-N-CA 118.93 -1.108 . . . . 0.0 110.947 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.486 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.7 Cg_exo -56.9 136.75 78.38 Favored 'Trans proline' 0 C--O 1.259 1.525 0 C-N-CA 123.369 2.713 . . . . 0.0 110.809 178.301 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 52.3 Cg_exo -57.1 -31.95 91.84 Favored 'Trans proline' 0 C--O 1.263 1.729 0 O-C-N 123.013 1.007 . . . . 0.0 113.686 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -68.44 -15.33 63.51 Favored 'General case' 0 C--O 1.261 1.698 0 O-C-N 119.828 -1.795 . . . . 0.0 112.288 -177.512 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -96.08 -10.08 29.26 Favored 'General case' 0 N--CA 1.484 1.227 0 O-C-N 120.566 -1.334 . . . . 0.0 111.987 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -84.99 129.64 34.76 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-O 124.429 2.061 . . . . 0.0 115.735 -177.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.463 ' HB2' HG13 ' A' ' 70' ' ' VAL . 0.1 OUTLIER -121.15 116.06 24.24 Favored 'General case' 0 C--O 1.3 3.744 0 N-CA-C 104.943 -2.243 . . . . 0.0 104.943 172.041 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.0 mt -103.51 130.21 50.84 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-N 119.545 1.066 . . . . 0.0 109.934 -177.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.421 HD11 ' CB ' ' C' ' 76' ' ' PHE . 0.5 OUTLIER -122.07 131.85 72.26 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.858 0 O-C-N 125.13 1.519 . . . . 0.0 111.934 -177.548 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -144.39 129.46 18.57 Favored 'General case' 0 C--N 1.359 0.994 0 N-CA-C 105.454 -2.054 . . . . 0.0 105.454 177.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.33 46.01 20.28 Favored 'General case' 0 C--N 1.31 -1.112 0 CA-C-N 112.225 -2.261 . . . . 0.0 110.73 177.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.58 21.82 60.87 Favored Glycine 0 N--CA 1.431 -1.664 0 C-N-CA 128.729 3.062 . . . . 0.0 117.48 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -115.11 142.73 46.26 Favored 'General case' 0 C--N 1.308 -1.198 0 N-CA-C 107.143 -1.429 . . . . 0.0 107.143 177.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.67 130.3 34.6 Favored 'General case' 0 C--O 1.258 1.504 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 4.5 mp -79.53 138.06 37.38 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 117.728 -1.129 . . . . 0.0 110.201 -176.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -101.69 140.13 36.4 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 125.06 1.475 . . . . 0.0 110.005 -177.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.414 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 23.5 m-20 -48.05 -42.49 28.64 Favored 'General case' 0 C--O 1.263 1.813 0 N-CA-C 120.779 3.622 . . . . 0.0 120.779 -175.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.64 -8.84 85.5 Favored Glycine 0 CA--C 1.489 -1.543 0 N-CA-C 116.278 1.271 . . . . 0.0 116.278 -177.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -85.47 165.27 17.29 Favored 'General case' 0 C--O 1.251 1.157 0 O-C-N 119.808 -1.995 . . . . 0.0 108.08 176.448 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 1.0 OUTLIER -104.46 164.84 11.46 Favored 'General case' 0 C--N 1.308 -1.229 0 N-CA-C 106.607 -1.627 . . . . 0.0 106.607 177.102 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.451 HD23 HD13 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -61.55 -35.97 79.3 Favored 'General case' 0 C--O 1.202 -1.439 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 177.248 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -64.35 -29.29 70.37 Favored 'General case' 0 C--O 1.268 2.061 0 C-N-CA 117.222 -1.791 . . . . 0.0 112.154 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.62 -39.47 70.84 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-O 122.504 1.145 . . . . 0.0 110.678 179.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -90.85 4.68 51.12 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 117.759 -1.115 . . . . 0.0 112.974 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.2 m120 58.07 45.24 18.1 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.667 2.03 . . . . 0.0 111.168 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.451 HD13 HD23 ' A' ' 56' ' ' LEU . 22.4 mt -88.75 116.52 30.54 Favored 'Isoleucine or valine' 0 C--O 1.267 1.98 0 CA-C-O 115.182 -2.342 . . . . 0.0 106.192 175.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.54 169.66 8.4 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 126.051 2.094 . . . . 0.0 109.354 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.93 142.94 27.83 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-O 123.199 1.476 . . . . 0.0 109.148 -176.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.557 ' O ' HD12 ' B' ' 8' ' ' LEU . 0.0 OUTLIER 67.02 19.21 10.57 Favored 'General case' 0 C--O 1.254 1.328 0 N-CA-C 118.045 2.609 . . . . 0.0 118.045 179.428 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -71.3 159.53 34.42 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 107.268 -1.382 . . . . 0.0 107.268 174.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.525 ' OG1' HD22 ' B' ' 8' ' ' LEU . 0.8 OUTLIER -119.12 126.69 52.21 Favored 'General case' 0 C--N 1.307 -1.257 0 CA-C-O 118.112 -0.947 . . . . 0.0 108.868 175.832 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.16 154.49 19.25 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-O 114.813 -2.518 . . . . 0.0 105.657 175.255 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -105.63 135.65 46.65 Favored 'General case' 0 C--N 1.288 -2.105 0 O-C-N 127.334 2.897 . . . . 0.0 105.84 177.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -106.82 115.81 30.83 Favored 'General case' 0 C--O 1.285 2.958 0 CA-C-O 117.579 -1.2 . . . . 0.0 111.445 176.688 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.463 HG13 ' HB2' ' A' ' 42' ' ' ARG . 3.8 p -108.07 139.96 28.28 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 174.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 26.3 mt -96.11 138.93 33.02 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.279 0.562 . . . . 0.0 109.816 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -56.38 107.04 0.33 Allowed 'General case' 0 C--N 1.279 -2.49 0 CA-C-O 113.187 -3.292 . . . . 0.0 105.502 178.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.1 tp 59.65 94.24 0.03 OUTLIER 'General case' 0 C--N 1.29 -1.981 0 O-C-N 125.867 1.979 . . . . 0.0 109.63 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.1 mtp180 -51.39 -76.2 0.03 OUTLIER 'General case' 0 C--O 1.245 0.838 0 CA-C-N 113.659 -1.61 . . . . 0.0 108.867 -179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 119.24 -40.41 2.25 Favored Glycine 0 C--O 1.247 0.95 0 CA-C-N 114.474 -1.239 . . . . 0.0 115.025 -179.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.469 0 N-CA-C 108.262 -1.935 . . . . 0.0 108.262 179.491 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.548 0.87 0 N-CA-C 107.224 -1.399 . . . . 0.0 107.224 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -90.99 138.39 31.64 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 127.167 2.792 . . . . 0.0 108.836 178.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 pp -131.05 163.07 37.97 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.254 0 CA-C-O 115.854 -2.022 . . . . 0.0 105.836 173.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 -115.98 140.13 49.56 Favored 'General case' 0 N--CA 1.513 2.715 1 O-C-N 130.527 4.892 . . . . 0.0 108.652 179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -117.96 114.07 44.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.716 0 CA-C-O 113.483 -3.151 . . . . 0.0 105.736 175.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . 0.46 ' HZ3' HD23 ' B' ' 8' ' ' LEU . 0.1 OUTLIER -95.06 127.61 41.25 Favored 'General case' 0 N--CA 1.502 2.151 1 O-C-N 129.18 4.05 . . . . 0.0 108.125 -178.141 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -99.54 170.81 8.34 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-O 117.772 -1.109 . . . . 0.0 109.265 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 64' ' ' GLU . 0.7 OUTLIER -73.47 -6.9 49.35 Favored 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.085 0.866 . . . . 0.0 112.789 -178.292 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.25 14.83 30.73 Favored 'General case' 0 N--CA 1.506 2.354 0 C-N-CA 115.731 -2.388 . . . . 0.0 111.963 179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.62 80.18 Favored Glycine 0 C--N 1.296 -1.645 0 O-C-N 120.196 -1.565 . . . . 0.0 116.13 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -96.25 137.87 34.68 Favored 'General case' 0 C--N 1.306 -1.314 0 N-CA-C 105.528 -2.027 . . . . 0.0 105.528 174.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 40.8 p -119.9 131.89 55.37 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 126.344 2.277 . . . . 0.0 106.169 176.184 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 tp -109.46 141.83 23.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 127.797 3.186 . . . . 0.0 109.099 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 4.1 p -101.24 139.91 36.26 Favored 'General case' 0 N--CA 1.497 1.908 0 C-N-CA 116.893 -1.923 . . . . 0.0 108.4 177.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.47 154.0 44.32 Favored 'General case' 0 N--CA 1.446 -0.647 0 CA-C-O 115.503 -2.189 . . . . 0.0 108.485 -179.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -111.83 121.15 44.27 Favored 'General case' 0 N--CA 1.495 1.814 1 O-C-N 129.122 4.014 . . . . 0.0 103.591 174.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 2.6 m -139.09 170.56 15.9 Favored 'Isoleucine or valine' 0 C--O 1.253 1.271 0 O-C-N 127.731 3.144 . . . . 0.0 111.256 -177.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.1 144.6 38.1 Favored Pre-proline 0 C--N 1.313 -1.018 0 CA-C-N 112.065 -2.334 . . . . 0.0 106.241 174.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' B' ' 56' ' ' LEU . 72.5 Cg_exo -54.84 -24.8 40.21 Favored 'Trans proline' 0 C--N 1.318 -1.068 0 C-N-CA 122.635 2.224 . . . . 0.0 111.537 177.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 43.3 t -79.86 -8.21 59.17 Favored 'General case' 0 C--O 1.243 0.75 0 O-C-N 121.102 -0.999 . . . . 0.0 110.91 -177.255 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.94 148.53 47.61 Favored 'General case' 0 N--CA 1.49 1.549 0 C-N-CA 117.327 -1.749 . . . . 0.0 109.782 -179.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 2.9 p -83.84 160.54 21.15 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 175.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.785 HG12 ' HG ' ' B' ' 50' ' ' LEU . 2.0 mp -61.43 -36.81 75.46 Favored 'Isoleucine or valine' 0 C--O 1.24 0.575 0 O-C-N 126.888 2.617 . . . . 0.0 110.364 175.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.21 -42.89 77.93 Favored 'General case' 0 C--O 1.251 1.166 0 O-C-N 120.424 -1.423 . . . . 0.0 110.979 176.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -64.43 -44.47 91.09 Favored 'General case' 0 C--O 1.251 1.147 0 C-N-CA 124.173 0.989 . . . . 0.0 111.498 -179.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 2.0 t -58.64 -46.25 90.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 114.286 -1.325 . . . . 0.0 108.983 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -60.81 -37.96 83.74 Favored 'General case' 0 C--O 1.256 1.396 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.882 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.08 87.07 Favored 'General case' 0 C--O 1.278 2.57 0 O-C-N 123.365 0.416 . . . . 0.0 111.354 176.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 4.4 mmpt? -64.05 -37.4 87.3 Favored 'General case' 0 C--O 1.253 1.261 0 O-C-N 120.519 -1.363 . . . . 0.0 110.849 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 6.2 mt -69.69 -39.71 78.42 Favored 'Isoleucine or valine' 0 C--O 1.253 1.261 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -48.84 78.55 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 125.494 2.569 . . . . 0.0 108.96 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -53.52 -41.69 66.62 Favored 'General case' 0 C--O 1.256 1.423 0 CA-C-N 113.669 -1.605 . . . . 0.0 111.8 179.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 4.3 mttp -93.42 -24.38 18.07 Favored 'General case' 0 C--O 1.281 2.745 0 N-CA-C 117.164 2.283 . . . . 0.0 117.164 -175.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -123.58 -6.32 8.09 Favored 'General case' 0 C--N 1.304 -1.371 0 CA-C-N 122.939 2.609 . . . . 0.0 113.81 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.04 5.6 90.03 Favored Glycine 0 CA--C 1.476 -2.4 0 N-CA-C 118.718 2.247 . . . . 0.0 118.718 176.577 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.494 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 49.0 mt -79.91 125.05 82.8 Favored Pre-proline 0 N--CA 1.472 0.646 0 C-N-CA 118.736 -1.185 . . . . 0.0 111.035 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.0 Cg_exo -57.17 137.01 79.86 Favored 'Trans proline' 0 C--O 1.257 1.435 0 C-N-CA 122.941 2.427 . . . . 0.0 110.85 178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.463 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.1 Cg_exo -57.22 -32.22 92.93 Favored 'Trans proline' 0 C--O 1.261 1.67 0 O-C-N 122.979 0.989 . . . . 0.0 113.315 -179.154 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -68.33 -15.55 63.61 Favored 'General case' 0 C--O 1.264 1.827 0 O-C-N 120.039 -1.663 . . . . 0.0 112.187 -177.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.552 ' CG ' HD21 ' B' ' 71' ' ' LEU . 7.4 mp0 -95.61 -10.47 29.38 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.471 -1.393 . . . . 0.0 112.169 178.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -84.92 129.66 34.77 Favored 'General case' 0 C--N 1.313 -1.0 0 CA-C-O 124.232 1.967 . . . . 0.0 115.755 -177.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -121.16 116.07 24.26 Favored 'General case' 0 C--O 1.299 3.676 0 N-CA-C 104.795 -2.298 . . . . 0.0 104.795 172.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.776 ' CB ' HD22 ' B' ' 50' ' ' LEU . 1.6 tp -103.52 130.28 50.87 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-N 119.536 1.062 . . . . 0.0 109.989 -177.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . . . . . . . . . 4.4 mp -121.98 131.56 72.87 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.778 0 O-C-N 125.131 1.52 . . . . 0.0 112.059 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.846 ' HB2' ' CZ ' ' B' ' 59' ' ' TYR . 0.0 OUTLIER -144.21 129.85 19.14 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 105.318 -2.104 . . . . 0.0 105.318 177.436 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . 0.429 ' CB ' ' OH ' ' B' ' 59' ' ' TYR . . . 48.09 46.0 19.47 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 112.011 -2.359 . . . . 0.0 110.682 177.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.91 20.18 59.66 Favored Glycine 0 C--N 1.299 -1.486 0 C-N-CA 128.233 2.825 . . . . 0.0 117.334 -179.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -109.89 143.86 39.2 Favored 'General case' 0 C--N 1.306 -1.323 0 CA-C-O 115.411 -2.233 . . . . 0.0 110.916 174.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.486 ' HB3' ' HB2' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -87.19 130.28 34.62 Favored 'General case' 0 C--N 1.281 -2.394 0 N-CA-C 104.002 -2.592 . . . . 0.0 104.002 173.375 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.91 ' O ' HD23 ' B' ' 50' ' ' LEU . 0.2 OUTLIER -79.57 138.39 37.46 Favored 'General case' 0 C--N 1.311 -1.076 0 CA-C-O 117.662 -1.161 . . . . 0.0 110.028 -175.782 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -101.89 139.95 36.83 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 125.173 1.545 . . . . 0.0 110.02 -177.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.16 -42.13 28.72 Favored 'General case' 0 C--O 1.263 1.79 0 N-CA-C 120.714 3.598 . . . . 0.0 120.714 -175.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.12 -8.66 85.24 Favored Glycine 0 CA--C 1.492 -1.359 0 N-CA-C 116.035 1.174 . . . . 0.0 116.035 -177.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.445 ' O ' ' CD1' ' B' ' 23' ' ' ILE . 0.0 OUTLIER -85.56 165.31 17.18 Favored 'General case' 0 C--O 1.25 1.083 0 O-C-N 120.186 -1.773 . . . . 0.0 107.985 176.454 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.44 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 53.1 p -104.32 164.45 11.73 Favored 'General case' 0 C--N 1.312 -1.046 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 176.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.411 ' HB2' ' HA ' ' B' ' 19' ' ' PRO . 0.4 OUTLIER -60.99 -36.41 79.38 Favored 'General case' 0 C--O 1.2 -1.505 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 177.2 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 3.1 p -63.61 -29.76 70.97 Favored 'General case' 0 C--O 1.268 2.07 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.229 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -55.71 -39.07 70.56 Favored 'General case' 0 N--CA 1.485 1.296 0 CA-C-O 122.471 1.129 . . . . 0.0 110.706 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.846 ' CZ ' ' HB2' ' B' ' 45' ' ' PHE . 21.0 t80 -91.08 4.48 52.05 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 117.523 -1.227 . . . . 0.0 112.914 179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 58.04 45.34 18.06 Favored 'General case' 0 C--N 1.312 -1.054 0 CA-C-N 121.717 2.053 . . . . 0.0 111.253 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.509 ' O ' ' CG2' ' B' ' 61' ' ' ILE . 0.0 OUTLIER -88.73 116.26 30.07 Favored 'Isoleucine or valine' 0 C--O 1.271 2.193 0 CA-C-O 115.078 -2.391 . . . . 0.0 106.289 175.848 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -103.35 169.59 8.45 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 126.098 2.124 . . . . 0.0 109.704 -176.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -55.05 143.05 28.08 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.23 1.49 . . . . 0.0 109.229 -176.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 67.01 19.07 10.6 Favored 'General case' 0 C--O 1.255 1.385 0 N-CA-C 117.885 2.55 . . . . 0.0 117.885 179.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.475 ' HB3' HD13 ' B' ' 61' ' ' ILE . 30.8 t -71.11 159.51 34.57 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 174.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 15.0 t -118.97 126.62 52.18 Favored 'General case' 0 C--N 1.308 -1.218 0 CA-C-O 118.199 -0.905 . . . . 0.0 108.842 175.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.3 mt -103.14 154.52 19.21 Favored 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 114.672 -2.585 . . . . 0.0 105.755 175.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.454 ' HA ' ' HG3' ' B' ' 6' ' ' LYS . 3.0 m-70 -105.51 135.71 46.42 Favored 'General case' 0 C--N 1.283 -2.317 0 O-C-N 127.588 3.055 . . . . 0.0 105.79 177.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.9 tt -107.01 115.8 30.82 Favored 'General case' 0 C--O 1.284 2.917 0 CA-C-O 117.705 -1.141 . . . . 0.0 111.425 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 57.1 t -108.13 139.96 28.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.717 0 N-CA-C 103.42 -2.807 . . . . 0.0 103.42 175.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.58 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.9 tt -96.03 -83.5 0.37 Allowed 'General case' 0 N--CA 1.477 0.91 0 CA-C-O 121.256 0.551 . . . . 0.0 109.847 178.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' B' ' 71' ' ' LEU . 0.4 OUTLIER 149.59 154.64 0.0 OUTLIER 'General case' 0 C--N 1.279 -2.466 0 CA-C-O 113.44 -3.172 . . . . 0.0 105.459 -179.817 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 11.8 mt -141.28 -50.35 0.42 Allowed 'General case' 0 C--N 1.294 -1.834 0 O-C-N 125.663 1.852 . . . . 0.0 109.715 179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.44 128.85 0.08 Allowed 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 113.844 -1.526 . . . . 0.0 108.696 -179.596 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.63 -124.5 5.35 Favored Glycine 0 C--O 1.243 0.715 0 CA-C-N 114.736 -1.12 . . . . 0.0 115.177 -178.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.422 0 CA-C-O 116.442 -2.31 . . . . 0.0 108.202 179.027 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 CA--C 1.511 -0.551 0 CA-C-O 121.92 0.867 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 1.6 m120 58.3 82.77 0.13 Allowed 'General case' 0 C--N 1.289 -2.044 0 O-C-N 119.099 -2.251 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -73.68 93.55 2.09 Favored 'General case' 0 CA--C 1.51 -0.572 0 C-N-CA 126.728 2.011 . . . . 0.0 110.703 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -89.08 137.86 31.94 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.376 -0.829 . . . . 0.0 111.557 -178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.703 ' HB2' HG23 ' C' ' 49' ' ' ILE . 1.1 mp -70.2 -39.55 75.11 Favored 'General case' 0 C--O 1.238 0.489 0 CA-C-O 121.669 0.747 . . . . 0.0 111.856 172.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.575 ' HB ' HG22 ' C' ' 49' ' ' ILE . 1.0 OUTLIER -144.4 136.07 21.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 C-N-CA 125.195 1.398 . . . . 0.0 107.433 -178.214 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.35 147.99 34.16 Favored 'General case' 0 CA--C 1.515 -0.373 0 C-N-CA 119.672 -0.811 . . . . 0.0 110.572 165.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -160.97 155.24 23.04 Favored 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.246 0.966 . . . . 0.0 111.235 173.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 14.7 mtm180 -72.24 127.75 33.52 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.172 -1.376 . . . . 0.0 112.365 178.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.13 147.7 6.79 Favored 'General case' 0 C--O 1.251 1.163 0 CA-C-O 122.078 0.942 . . . . 0.0 110.079 179.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.91 164.89 25.26 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 175.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.19 -179.22 3.78 Favored 'General case' 0 CA--C 1.514 -0.435 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 3.5 mtt -137.14 161.03 37.25 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 174.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.65 156.46 48.52 Favored 'General case' 0 C--N 1.318 -0.788 0 C-N-CA 118.168 -1.413 . . . . 0.0 108.816 177.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -92.7 116.14 28.74 Favored 'General case' 0 N--CA 1.437 -1.104 0 N-CA-C 105.944 -1.873 . . . . 0.0 105.944 177.311 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -112.33 115.81 29.35 Favored 'General case' 0 C--O 1.238 0.496 0 N-CA-C 106.545 -1.65 . . . . 0.0 106.545 172.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.02 8.58 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.35 -1.9 . . . . 0.0 108.35 -169.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.7 m -114.04 14.57 18.38 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 115.381 -0.409 . . . . 0.0 109.919 178.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 18.1 p -111.99 122.49 47.92 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -172.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 97.2 t -76.11 120.09 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 174.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 1.3 m -124.17 119.38 26.44 Favored Pre-proline 0 C--O 1.245 0.856 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 -173.331 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.92 134.8 59.01 Favored 'Trans proline' 0 N--CA 1.459 -0.537 0 C-N-CA 117.946 -0.903 . . . . 0.0 111.873 173.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -85.74 132.21 34.18 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.316 -2.105 . . . . 0.0 105.316 172.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.93 -11.23 59.61 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -172.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 -67.08 144.36 56.15 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.04 125.56 26.74 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . 0.446 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.33 171.18 21.6 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.19 1.439 . . . . 0.0 115.389 -179.098 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 74.4 mt -128.35 124.43 36.39 Favored 'General case' 0 N--CA 1.423 -1.796 0 N-CA-C 106.306 -1.739 . . . . 0.0 106.306 175.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 25.9 t -90.98 137.58 21.42 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.107 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 164.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -151.96 157.74 42.18 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-O 121.983 0.897 . . . . 0.0 113.007 175.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.733 HG12 ' CD2' ' C' ' 127' ' ' TYR . 5.8 tp -118.74 131.04 72.68 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 113.591 -1.64 . . . . 0.0 108.36 174.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 13.4 tt0 -134.02 137.61 44.84 Favored 'General case' 0 CA--C 1.492 -1.251 0 N-CA-C 108.378 -0.971 . . . . 0.0 108.378 -178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -100.2 122.13 42.53 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 170.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 36.0 p -84.04 171.12 13.21 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.295 177.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -71.61 -10.4 59.71 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 119.606 -0.837 . . . . 0.0 113.149 -170.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.69 7.42 14.91 Favored 'General case' 0 CA--C 1.534 0.363 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.028 170.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.82 -1.15 3.15 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.496 1.518 . . . . 0.0 114.704 -177.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.92 149.93 39.28 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 119.191 -1.003 . . . . 0.0 113.087 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.1 mp -102.23 129.07 54.24 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.122 -177.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.541 ' O ' HD12 ' C' ' 49' ' ' ILE . 11.7 m170 -117.58 125.32 50.59 Favored 'General case' 0 CA--C 1.513 -0.458 0 N-CA-C 108.084 -1.08 . . . . 0.0 108.084 -176.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . 0.581 ' CZ ' HD12 ' C' ' 96' ' ' LEU . 0.0 OUTLIER -98.8 119.04 36.89 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 171.295 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 56.2 m -127.75 156.84 41.8 Favored 'General case' 0 C--O 1.239 0.504 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.48 128.21 40.78 Favored 'General case' 0 C--O 1.243 0.735 0 CA-C-N 113.547 -1.66 . . . . 0.0 108.711 169.32 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 5.9 tttt -120.66 134.43 55.28 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 114.07 -1.423 . . . . 0.0 109.741 -176.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 24.2 m-20 -74.32 115.34 13.72 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 173.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 8.1 tpt180 -64.1 -32.28 73.78 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -176.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.59 -46.14 55.73 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 -175.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.4 -20.45 21.79 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.578 -176.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.67 60.83 Favored Glycine 0 CA--C 1.53 0.985 0 CA-C-O 119.709 -0.495 . . . . 0.0 113.771 -171.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 4.6 t30 -72.62 130.02 39.62 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.653 1.226 . . . . 0.0 113.122 178.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -84.12 109.05 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 173.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -94.42 -28.9 15.25 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.739 -0.784 . . . . 0.0 110.965 -171.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 41.6 t0 -122.03 135.55 54.84 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.864 0.84 . . . . 0.0 109.417 177.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 50.8 t0 -155.0 103.34 2.39 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.487 -2.412 . . . . 0.0 104.487 -178.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . 0.443 HD13 ' HE2' ' C' ' 59' ' ' PHE . 0.1 OUTLIER -118.05 123.28 45.26 Favored 'General case' 0 N--CA 1.435 -1.187 0 CA-C-N 114.304 -1.316 . . . . 0.0 109.264 -174.784 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.6 pp -75.86 124.3 33.66 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.861 0 CA-C-O 122.432 1.111 . . . . 0.0 111.742 168.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 1.022 HG21 HD13 ' C' ' 128' ' ' LEU . 18.0 mm -122.96 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.602 -174.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . 0.421 ' CB ' HD11 ' A' ' 44' ' ' ILE . 1.5 m-85 -101.27 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.625 0 O-C-N 124.424 1.078 . . . . 0.0 110.902 173.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.28 133.88 58.08 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.319 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.54 6.79 5.89 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 116.694 2.109 . . . . 0.0 116.694 -175.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . 0.718 ' OD1' HG23 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -70.39 -33.63 71.62 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.975 0.807 . . . . 0.0 109.574 176.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 14.3 p -154.9 168.22 27.67 Favored 'General case' 0 C--N 1.319 -0.743 0 C-N-CA 118.5 -1.28 . . . . 0.0 113.639 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 18.0 mm-40 -133.47 139.33 46.62 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.462 -1.699 . . . . 0.0 107.018 -178.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.748 ' CD2' HD22 ' C' ' 96' ' ' LEU . 3.1 m-85 -106.79 124.2 49.27 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.254 -1.388 . . . . 0.0 107.254 177.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 4.8 mttt -148.56 156.4 42.38 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -67.64 142.79 56.29 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.063 -0.971 . . . . 0.0 108.444 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 96.9 t -94.23 98.35 2.86 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 106.231 -1.766 . . . . 0.0 106.231 171.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_endo -61.0 -31.96 91.85 Favored 'Trans proline' 0 C--N 1.329 -0.498 0 N-CA-C 117.791 2.189 . . . . 0.0 117.791 -167.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 3.3 mp0 -91.1 8.59 34.82 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 117.976 -1.49 . . . . 0.0 112.207 -164.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 58.4 m -85.09 119.68 72.74 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 174.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -56.93 -19.89 34.05 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 123.012 1.006 . . . . 0.0 114.427 -173.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 88.1 p -65.49 -34.66 78.8 Favored 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 118.421 0.555 . . . . 0.0 110.06 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.41 13.09 64.74 Favored Glycine 0 CA--C 1.506 -0.529 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.558 -172.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 88.1 mtm180 -121.05 17.2 11.67 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 39.2 t -97.1 133.43 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.149 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 173.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 51.7 m-85 -125.08 151.87 45.09 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 125.634 1.834 . . . . 0.0 110.375 178.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . 0.404 ' C ' HD23 ' C' ' 96' ' ' LEU . 9.7 p -127.03 135.31 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . 0.748 HD22 ' CD2' ' C' ' 82' ' ' PHE . 0.6 OUTLIER -95.44 108.15 20.34 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 104.873 -2.269 . . . . 0.0 104.873 169.107 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 17.9 ttmt -109.26 125.16 51.99 Favored 'General case' 0 CA--C 1.485 -1.536 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 -171.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -84.81 115.64 22.84 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 124.146 0.904 . . . . 0.0 109.17 176.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . 0.486 ' HB2' ' HB3' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -63.38 -25.16 68.16 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.951 -1.022 . . . . 0.0 111.412 -169.633 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.25 115.19 28.93 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.589 -0.893 . . . . 0.0 108.589 173.619 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.85 172.41 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . 0.484 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 23.4 m -91.39 9.04 33.34 Favored 'General case' 0 C--N 1.316 -0.877 0 O-C-N 122.034 -0.686 . . . . 0.0 110.525 179.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -70.76 129.15 38.36 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 117.943 -1.503 . . . . 0.0 110.596 -164.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -135.01 141.69 46.25 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.968 175.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 81.6 mt -124.53 126.17 45.41 Favored 'General case' 0 CA--C 1.502 -0.899 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 171.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -100.8 143.74 30.59 Favored 'General case' 0 N--CA 1.442 -0.844 0 O-C-N 124.794 1.309 . . . . 0.0 110.23 -177.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -137.09 156.7 48.05 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.519 -1.218 . . . . 0.0 109.281 178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -131.46 126.64 35.55 Favored 'General case' 0 N--CA 1.419 -2.008 0 C-N-CA 119.573 -0.851 . . . . 0.0 110.434 174.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.73 137.76 58.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.224 -174.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -118.83 3.91 11.55 Favored 'General case' 0 N--CA 1.429 -1.512 0 CA-C-N 114.606 -1.179 . . . . 0.0 110.225 179.269 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -61.34 135.96 93.97 Favored Pre-proline 0 C--O 1.265 1.898 0 CA-C-O 123.177 1.465 . . . . 0.0 108.637 173.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.25 -41.41 42.49 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.11 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 121.149 0.499 . . . . 0.0 110.49 173.682 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 2.0 t -83.38 -9.3 59.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.199 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -53.57 -33.84 56.2 Favored 'General case' 0 C--O 1.221 -0.423 0 C-N-CA 123.443 0.697 . . . . 0.0 112.797 -169.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.16 5.76 37.97 Favored 'General case' 0 C--O 1.223 -0.331 0 N-CA-C 113.806 1.039 . . . . 0.0 113.806 -174.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 19.3 p-10 -56.85 -48.83 77.17 Favored 'General case' 0 C--O 1.234 0.256 0 C-N-CA 118.947 -1.101 . . . . 0.0 110.348 -177.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.17 70.45 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 119.335 -0.946 . . . . 0.0 110.559 -173.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -67.29 -44.06 80.2 Favored 'General case' 0 CA--C 1.553 1.095 0 CA-C-O 120.947 0.404 . . . . 0.0 110.932 175.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 10.7 m-70 -55.64 -45.81 77.54 Favored 'General case' 0 N--CA 1.477 0.913 0 O-C-N 120.981 -1.074 . . . . 0.0 112.286 173.593 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . 0.852 ' O ' HG22 ' C' ' 124' ' ' VAL . 54.0 t -60.63 -43.18 97.82 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-O 121.637 0.732 . . . . 0.0 110.264 179.005 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.89 -43.47 98.78 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.092 -179.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 7.9 mttm -64.15 -42.38 96.8 Favored 'General case' 0 C--O 1.245 0.822 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . 1.048 ' HA ' ' CE1' ' C' ' 127' ' ' TYR . 17.0 m -52.24 -51.97 28.02 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.401 175.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . 0.5 ' N ' HG23 ' C' ' 124' ' ' VAL . 4.5 m-20 -60.3 -39.53 87.3 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 112.925 0.713 . . . . 0.0 112.925 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -65.27 -46.04 82.08 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.437 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . 1.048 ' CE1' ' HA ' ' C' ' 124' ' ' VAL . 0.5 OUTLIER -79.07 -24.42 43.53 Favored 'General case' 0 C--O 1.218 -0.593 0 C-N-CA 119.423 -0.911 . . . . 0.0 112.3 -174.523 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 1.022 HD13 HG21 ' C' ' 75' ' ' ILE . 3.8 mt -79.04 -36.1 41.59 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 119.811 -0.755 . . . . 0.0 112.245 174.507 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . . . . . . . . . 19.2 t-20 -110.77 -11.17 14.42 Favored 'General case' 0 CA--C 1.514 -0.417 0 N-CA-C 112.985 0.735 . . . . 0.0 112.985 -168.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -141.17 71.93 27.35 Favored Pre-proline 0 N--CA 1.467 0.422 0 N-CA-C 113.533 0.938 . . . . 0.0 113.533 169.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_exo -46.18 165.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.315 -1.218 0 C-N-CA 121.564 1.509 . . . . 0.0 111.609 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo . . . . . 0 C--N 1.289 -2.558 0 C-N-CA 122.632 2.221 . . . . 0.0 111.559 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 mtm . . . . . 0 CA--C 1.55 0.957 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -91.14 138.23 31.76 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 126.857 2.598 . . . . 0.0 108.837 178.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.412 HD11 ' HB ' ' A' ' 17' ' ' VAL . 0.0 OUTLIER -131.23 163.03 38.16 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.41 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 173.49 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -115.98 140.13 49.57 Favored 'General case' 0 N--CA 1.512 2.649 1 O-C-N 130.565 4.916 . . . . 0.0 108.757 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.417 ' HB ' HG22 ' A' ' 13' ' ' ILE . 21.2 t -117.99 114.22 44.61 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-O 113.396 -3.192 . . . . 0.0 105.633 175.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.26 127.61 41.45 Favored 'General case' 0 N--CA 1.506 2.344 1 O-C-N 129.351 4.157 . . . . 0.0 107.868 -178.066 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -99.6 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.73 0 CA-C-O 117.859 -1.067 . . . . 0.0 109.28 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mt -73.4 -7.05 50.05 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 124.121 0.888 . . . . 0.0 112.663 -177.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 9.8 t -101.53 15.11 29.92 Favored 'General case' 0 N--CA 1.502 2.146 0 C-N-CA 115.568 -2.453 . . . . 0.0 112.023 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.37 16.72 80.14 Favored Glycine 0 C--N 1.298 -1.572 0 O-C-N 120.204 -1.56 . . . . 0.0 116.08 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 138.15 34.53 Favored 'General case' 0 C--N 1.31 -1.149 0 N-CA-C 105.257 -2.127 . . . . 0.0 105.257 175.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.92 131.75 55.31 Favored 'General case' 0 N--CA 1.477 0.925 0 O-C-N 126.63 2.456 . . . . 0.0 105.857 176.399 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.429 HD11 ' HG3' ' A' ' 33' ' ' LYS . 1.3 tt -109.7 141.92 23.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 127.692 3.12 . . . . 0.0 108.822 179.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.35 139.64 36.74 Favored 'General case' 0 N--CA 1.494 1.753 0 C-N-CA 117.216 -1.793 . . . . 0.0 108.228 178.127 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.4 mp -126.44 154.06 44.19 Favored 'General case' 0 N--CA 1.445 -0.7 0 CA-C-O 115.388 -2.244 . . . . 0.0 108.34 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -111.83 121.02 43.91 Favored 'General case' 0 N--CA 1.499 1.991 1 O-C-N 129.29 4.119 . . . . 0.0 103.673 173.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.412 ' HB ' HD11 ' A' ' 3' ' ' ILE . 2.3 t -138.92 170.57 16.07 Favored 'Isoleucine or valine' 0 C--O 1.255 1.364 0 O-C-N 127.528 3.017 . . . . 0.0 111.213 -177.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -119.92 144.41 37.37 Favored Pre-proline 0 C--N 1.314 -0.949 0 CA-C-N 112.383 -2.19 . . . . 0.0 106.401 174.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 60.5 Cg_exo -54.95 -24.38 39.13 Favored 'Trans proline' 0 C--N 1.321 -0.913 0 C-N-CA 122.49 2.126 . . . . 0.0 111.914 177.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.9 m -79.97 -8.19 59.21 Favored 'General case' 0 C--O 1.243 0.73 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.842 -177.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -70.96 148.43 47.7 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 117.498 -1.681 . . . . 0.0 109.838 -179.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 1.4 p -83.73 160.52 21.26 Favored 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 175.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.753 HD12 ' O ' ' A' ' 54' ' ' ARG . 1.7 mp -61.51 -37.02 76.85 Favored 'Isoleucine or valine' 0 C--O 1.246 0.9 0 O-C-N 127.206 2.816 . . . . 0.0 110.257 175.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.64 -40.08 78.43 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.324 -0.86 . . . . 0.0 110.723 177.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.35 -41.94 79.95 Favored 'General case' 0 C--O 1.261 1.663 0 O-C-N 121.841 -0.537 . . . . 0.0 110.969 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 t -58.18 -46.48 88.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.529 1.143 . . . . 0.0 109.192 178.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -60.82 -37.9 83.57 Favored 'General case' 0 C--O 1.258 1.507 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.746 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.13 -38.1 87.31 Favored 'General case' 0 C--O 1.278 2.555 0 CA-C-N 118.073 0.397 . . . . 0.0 111.165 176.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.6 tptp -64.14 -37.56 87.91 Favored 'General case' 0 C--O 1.255 1.366 0 O-C-N 120.43 -1.419 . . . . 0.0 110.716 176.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 41.3 mt -69.91 -39.44 77.58 Favored 'Isoleucine or valine' 0 C--O 1.252 1.202 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -62.2 -48.77 78.57 Favored 'General case' 0 N--CA 1.497 1.922 0 CA-C-O 125.547 2.594 . . . . 0.0 109.052 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.23 -41.66 65.62 Favored 'General case' 0 C--O 1.253 1.244 0 CA-C-N 113.404 -1.726 . . . . 0.0 111.988 179.064 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HG3' HD11 ' A' ' 13' ' ' ILE 0.317 13.0 tptm -93.7 -24.31 17.9 Favored 'General case' 0 C--O 1.281 2.712 0 N-CA-C 117.129 2.27 . . . . 0.0 117.129 -175.837 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -123.33 -6.49 8.22 Favored 'General case' 0 C--N 1.304 -1.395 0 CA-C-N 123.166 2.712 . . . . 0.0 114.251 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.13 5.67 89.94 Favored Glycine 0 CA--C 1.478 -2.227 0 N-CA-C 118.896 2.318 . . . . 0.0 118.896 176.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 64.3 mt -79.82 124.73 83.2 Favored Pre-proline 0 N--CA 1.474 0.752 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.886 179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 80.6 Cg_exo -56.99 136.9 79.47 Favored 'Trans proline' 0 C--O 1.257 1.453 0 C-N-CA 123.301 2.667 . . . . 0.0 110.767 178.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.6 Cg_exo -57.22 -31.95 92.15 Favored 'Trans proline' 0 C--O 1.263 1.755 0 O-C-N 123.067 1.035 . . . . 0.0 113.634 -179.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 p30 -68.47 -15.29 63.49 Favored 'General case' 0 C--O 1.264 1.833 0 O-C-N 119.841 -1.787 . . . . 0.0 112.208 -177.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.9 mt-30 -95.99 -10.33 28.86 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 120.582 -1.324 . . . . 0.0 112.048 178.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -84.89 129.65 34.78 Favored 'General case' 0 C--N 1.315 -0.917 0 CA-C-O 124.441 2.067 . . . . 0.0 115.75 -177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.02 116.12 24.45 Favored 'General case' 0 C--O 1.299 3.706 0 N-CA-C 105.011 -2.218 . . . . 0.0 105.011 171.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 mp -103.52 130.17 50.85 Favored 'General case' 0 N--CA 1.487 1.401 0 CA-C-N 119.48 1.036 . . . . 0.0 109.96 -177.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.4 mp -122.16 131.88 72.21 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.884 0 O-C-N 125.239 1.587 . . . . 0.0 111.885 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -144.31 129.56 18.75 Favored 'General case' 0 C--N 1.36 1.047 0 N-CA-C 105.414 -2.069 . . . . 0.0 105.414 177.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.51 ' HB1' ' HG3' ' C' ' 103' ' ' LYS . . . 48.17 46.02 19.75 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 112.208 -2.269 . . . . 0.0 110.842 177.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.69 21.69 60.96 Favored Glycine 0 N--CA 1.432 -1.607 0 C-N-CA 128.581 2.991 . . . . 0.0 117.489 -179.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -115.01 142.91 45.99 Favored 'General case' 0 C--N 1.307 -1.251 0 N-CA-C 107.12 -1.437 . . . . 0.0 107.12 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -85.93 130.3 34.58 Favored 'General case' 0 C--O 1.258 1.519 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 174.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 mp -79.56 138.08 37.37 Favored 'General case' 0 C--N 1.312 -1.043 0 CA-C-O 117.703 -1.141 . . . . 0.0 110.18 -175.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.522 ' O ' HD13 ' A' ' 23' ' ' ILE . 13.4 mm-40 -101.66 140.17 36.31 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 125.028 1.455 . . . . 0.0 109.988 -177.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.09 -42.45 28.88 Favored 'General case' 0 C--O 1.263 1.814 0 N-CA-C 120.811 3.634 . . . . 0.0 120.811 -175.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.62 -8.9 85.44 Favored Glycine 0 CA--C 1.488 -1.606 0 N-CA-C 116.184 1.234 . . . . 0.0 116.184 -177.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.753 ' O ' HD12 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -85.41 165.36 17.27 Favored 'General case' 0 C--O 1.25 1.128 0 O-C-N 119.715 -2.05 . . . . 0.0 108.028 176.518 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.469 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 26.6 p -104.57 164.84 11.47 Favored 'General case' 0 C--N 1.307 -1.27 0 N-CA-C 106.576 -1.639 . . . . 0.0 106.576 177.021 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.0 mp -61.56 -36.08 79.59 Favored 'General case' 0 C--O 1.203 -1.389 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -64.13 -29.52 70.64 Favored 'General case' 0 C--O 1.269 2.106 0 C-N-CA 117.278 -1.769 . . . . 0.0 112.175 -179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.43 -39.69 70.57 Favored 'General case' 0 N--CA 1.486 1.356 0 CA-C-O 122.364 1.078 . . . . 0.0 110.657 179.569 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 41.1 m-85 -90.81 4.8 50.7 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 117.638 -1.172 . . . . 0.0 112.966 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 58.14 45.15 18.02 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-N 121.671 2.032 . . . . 0.0 111.174 179.617 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 18.4 mt -88.74 116.53 30.55 Favored 'Isoleucine or valine' 0 C--O 1.267 1.991 0 CA-C-O 115.156 -2.354 . . . . 0.0 106.185 175.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.7 tp60 -103.58 169.67 8.39 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 126.106 2.129 . . . . 0.0 109.315 -176.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.91 142.94 27.71 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-O 123.186 1.47 . . . . 0.0 109.149 -176.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 67.13 19.11 10.45 Favored 'General case' 0 C--O 1.254 1.316 0 N-CA-C 117.98 2.585 . . . . 0.0 117.98 179.343 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.2 t -71.14 159.55 34.47 Favored 'General case' 0 CA--C 1.546 0.801 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 174.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.16 126.74 52.3 Favored 'General case' 0 C--N 1.307 -1.281 0 CA-C-O 118.108 -0.949 . . . . 0.0 108.859 175.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.4 mt -103.11 154.59 19.13 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 114.828 -2.511 . . . . 0.0 105.647 175.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.0 t-160 -105.63 135.59 46.76 Favored 'General case' 0 C--N 1.287 -2.111 0 O-C-N 127.352 2.907 . . . . 0.0 105.838 177.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.0 tt -106.83 115.8 30.82 Favored 'General case' 0 C--O 1.284 2.891 0 CA-C-O 117.635 -1.174 . . . . 0.0 111.457 176.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.8 t -108.07 139.84 28.75 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 N-CA-C 103.574 -2.751 . . . . 0.0 103.574 175.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -96.03 138.92 32.96 Favored 'General case' 0 N--CA 1.48 1.048 0 CA-C-O 121.288 0.566 . . . . 0.0 109.828 178.275 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -139.4 -177.78 5.08 Favored 'General case' 0 C--N 1.279 -2.476 0 CA-C-O 113.183 -3.294 . . . . 0.0 105.559 178.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.74 97.47 0.02 OUTLIER 'General case' 0 C--N 1.291 -1.965 0 O-C-N 125.942 2.026 . . . . 0.0 109.591 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -54.98 -42.66 72.7 Favored 'General case' 0 C--O 1.246 0.899 0 CA-C-N 113.603 -1.635 . . . . 0.0 108.838 -179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.91 152.78 23.88 Favored Glycine 0 C--O 1.246 0.882 0 CA-C-N 114.629 -1.169 . . . . 0.0 115.198 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.599 0 N-CA-C 108.198 -1.961 . . . . 0.0 108.198 179.465 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 CA--C 1.549 0.913 0 N-CA-C 107.2 -1.407 . . . . 0.0 107.2 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -90.93 138.53 31.53 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 127.148 2.78 . . . . 0.0 108.788 178.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.847 HD11 HG12 ' B' ' 17' ' ' VAL . 0.0 OUTLIER -131.21 163.14 37.84 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.25 0 CA-C-O 115.739 -2.076 . . . . 0.0 105.941 173.14 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -116.01 140.11 49.59 Favored 'General case' 0 N--CA 1.514 2.737 1 O-C-N 130.603 4.939 . . . . 0.0 108.65 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 33.5 t -117.87 114.12 44.39 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.704 0 CA-C-O 113.443 -3.17 . . . . 0.0 105.789 175.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.11 127.57 41.27 Favored 'General case' 0 N--CA 1.503 2.195 1 O-C-N 129.184 4.053 . . . . 0.0 108.185 -178.145 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 13.3 p -99.57 170.74 8.38 Favored 'General case' 0 C--N 1.351 0.652 0 CA-C-O 117.749 -1.119 . . . . 0.0 109.328 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.652 ' H ' HD13 ' B' ' 8' ' ' LEU . 0.0 OUTLIER -73.27 -7.03 49.76 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 124.171 0.919 . . . . 0.0 112.824 -178.28 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 15.3 t -101.22 14.82 30.75 Favored 'General case' 0 N--CA 1.505 2.313 0 C-N-CA 115.661 -2.416 . . . . 0.0 111.944 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.49 16.69 80.05 Favored Glycine 0 C--N 1.296 -1.64 0 O-C-N 120.102 -1.624 . . . . 0.0 116.044 179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.26 137.92 34.63 Favored 'General case' 0 C--N 1.306 -1.321 0 N-CA-C 105.53 -2.026 . . . . 0.0 105.53 174.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 24.5 p -119.9 131.92 55.38 Favored 'General case' 0 N--CA 1.471 0.623 0 O-C-N 126.365 2.29 . . . . 0.0 106.122 176.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 12.5 mm -109.53 141.81 23.8 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 127.795 3.184 . . . . 0.0 109.063 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -101.1 139.87 36.19 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 117.031 -1.867 . . . . 0.0 108.376 177.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 mp -126.57 154.0 44.48 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 115.405 -2.236 . . . . 0.0 108.421 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -111.77 121.25 44.57 Favored 'General case' 0 N--CA 1.498 1.933 1 O-C-N 129.416 4.197 . . . . 0.0 103.513 174.076 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.847 HG12 HD11 ' B' ' 3' ' ' ILE . 0.4 OUTLIER -139.15 170.54 15.86 Favored 'Isoleucine or valine' 0 C--O 1.252 1.213 0 O-C-N 127.798 3.186 . . . . 0.0 111.198 -177.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.467 ' N ' HG13 ' B' ' 17' ' ' VAL . 0.5 OUTLIER -120.03 144.64 38.06 Favored Pre-proline 0 C--N 1.312 -1.038 0 CA-C-N 112.032 -2.349 . . . . 0.0 106.251 174.702 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.98 -24.69 40.73 Favored 'Trans proline' 0 C--N 1.317 -1.105 0 C-N-CA 122.687 2.258 . . . . 0.0 111.52 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.9 -8.26 59.21 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.857 -177.285 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -70.93 148.47 47.69 Favored 'General case' 0 N--CA 1.49 1.555 0 C-N-CA 117.28 -1.768 . . . . 0.0 109.81 -179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.78 160.55 21.2 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 1.223 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.48 -36.79 75.41 Favored 'Isoleucine or valine' 0 C--O 1.24 0.592 0 O-C-N 127.048 2.718 . . . . 0.0 110.346 175.861 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.782 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.15 -42.94 77.77 Favored 'General case' 0 C--O 1.252 1.207 0 O-C-N 120.393 -1.442 . . . . 0.0 110.974 176.308 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -64.42 -44.58 90.75 Favored 'General case' 0 C--O 1.251 1.154 0 C-N-CA 124.208 1.003 . . . . 0.0 111.395 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.3 t -58.55 -46.31 90.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.882 1.363 . . . . 0.0 109.01 178.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 9.1 mtpp -60.71 -37.94 83.37 Favored 'General case' 0 C--O 1.256 1.398 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.907 -179.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.27 -37.96 86.68 Favored 'General case' 0 C--O 1.278 2.558 0 O-C-N 123.496 0.498 . . . . 0.0 111.451 176.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 6.8 mtmm -64.15 -37.33 87.08 Favored 'General case' 0 C--O 1.253 1.278 0 O-C-N 120.481 -1.387 . . . . 0.0 110.78 175.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 20.7 mt -69.77 -39.74 78.29 Favored 'Isoleucine or valine' 0 C--O 1.253 1.277 0 N-CA-C 106.863 -1.532 . . . . 0.0 106.863 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -61.92 -48.88 78.45 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 125.504 2.573 . . . . 0.0 108.995 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.33 -41.8 66.09 Favored 'General case' 0 C--O 1.256 1.414 0 CA-C-N 113.69 -1.595 . . . . 0.0 111.869 179.184 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -93.36 -24.45 18.09 Favored 'General case' 0 C--O 1.28 2.662 0 N-CA-C 117.196 2.295 . . . . 0.0 117.196 -175.888 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -123.64 -6.28 8.06 Favored 'General case' 0 C--N 1.305 -1.327 0 CA-C-N 122.941 2.61 . . . . 0.0 113.83 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.56 90.06 Favored Glycine 0 CA--C 1.476 -2.366 0 N-CA-C 118.803 2.281 . . . . 0.0 118.803 176.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.447 ' HA ' ' HD2' ' B' ' 37' ' ' PRO . 58.3 mt -80.04 125.05 82.58 Favored Pre-proline 0 C--O 1.241 0.65 0 C-N-CA 118.627 -1.229 . . . . 0.0 111.051 179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.496 ' HG2' ' HB2' ' B' ' 40' ' ' GLN . 24.8 Cg_endo -57.0 136.99 80.03 Favored 'Trans proline' 0 C--O 1.256 1.386 0 C-N-CA 122.971 2.447 . . . . 0.0 110.853 178.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 54.6 Cg_exo -57.24 -32.22 92.99 Favored 'Trans proline' 0 C--O 1.261 1.654 0 O-C-N 123.032 1.017 . . . . 0.0 113.435 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -68.19 -15.58 63.64 Favored 'General case' 0 C--O 1.263 1.799 0 O-C-N 119.97 -1.706 . . . . 0.0 112.215 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.522 ' CG ' HD21 ' B' ' 71' ' ' LEU . 0.9 OUTLIER -95.58 -10.55 29.26 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 120.559 -1.338 . . . . 0.0 112.192 178.484 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -84.85 129.55 34.79 Favored 'General case' 0 C--N 1.313 -1.004 0 CA-C-O 124.193 1.949 . . . . 0.0 115.775 -177.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' B' ' 42' ' ' ARG . 0.0 OUTLIER -121.15 116.15 24.41 Favored 'General case' 0 C--O 1.299 3.668 0 N-CA-C 104.736 -2.32 . . . . 0.0 104.736 172.234 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.6 130.34 51.01 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.476 1.034 . . . . 0.0 109.935 -177.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.543 HG23 ' O ' ' B' ' 68' ' ' HIS . 0.1 OUTLIER -122.07 131.58 72.84 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 O-C-N 125.181 1.55 . . . . 0.0 112.018 -177.574 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -144.27 129.85 19.07 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 105.307 -2.109 . . . . 0.0 105.307 177.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.13 46.01 19.62 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 111.9 -2.409 . . . . 0.0 110.639 177.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.85 20.2 59.55 Favored Glycine 0 C--N 1.298 -1.535 0 C-N-CA 128.363 2.887 . . . . 0.0 117.319 -179.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -109.83 143.84 39.12 Favored 'General case' 0 C--N 1.304 -1.381 0 CA-C-O 115.344 -2.265 . . . . 0.0 110.977 174.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.57 ' N ' ' OE1' ' B' ' 49' ' ' GLN . 0.0 OUTLIER -87.24 130.37 34.6 Favored 'General case' 0 C--N 1.28 -2.423 0 N-CA-C 103.993 -2.595 . . . . 0.0 103.993 173.393 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 1.2 mt -79.62 138.41 37.41 Favored 'General case' 0 C--N 1.31 -1.151 0 CA-C-O 117.57 -1.205 . . . . 0.0 110.024 -175.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 1.223 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.7 OUTLIER -101.91 140.09 36.66 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 125.252 1.595 . . . . 0.0 109.952 -177.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.895 ' O ' HG23 ' B' ' 23' ' ' ILE . 1.2 p30 -48.39 -41.97 30.5 Favored 'General case' 0 C--O 1.263 1.771 0 N-CA-C 120.787 3.625 . . . . 0.0 120.787 -175.751 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.18 -8.65 85.15 Favored Glycine 0 N--CA 1.476 1.342 0 N-CA-C 115.942 1.137 . . . . 0.0 115.942 -177.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.806 ' O ' HG22 ' B' ' 23' ' ' ILE . 16.1 mmt180 -85.57 165.32 17.16 Favored 'General case' 0 C--O 1.25 1.115 0 O-C-N 120.116 -1.814 . . . . 0.0 107.969 176.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 30.2 p -104.33 164.48 11.7 Favored 'General case' 0 C--N 1.312 -1.065 0 N-CA-C 106.77 -1.567 . . . . 0.0 106.77 177.028 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -61.02 -36.46 79.59 Favored 'General case' 0 C--O 1.2 -1.518 0 N-CA-C 108.118 -1.067 . . . . 0.0 108.118 177.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 26.6 t -63.57 -29.79 71.0 Favored 'General case' 0 C--O 1.267 2.011 0 C-N-CA 117.305 -1.758 . . . . 0.0 112.229 -179.445 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.78 -38.99 70.63 Favored 'General case' 0 N--CA 1.484 1.266 0 CA-C-O 122.44 1.114 . . . . 0.0 110.73 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -91.07 4.53 51.9 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 117.632 -1.175 . . . . 0.0 112.903 179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.87 45.42 18.45 Favored 'General case' 0 N--CA 1.481 1.079 0 CA-C-N 121.68 2.036 . . . . 0.0 111.257 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 1.3 mt -88.71 116.15 29.88 Favored 'Isoleucine or valine' 0 C--O 1.27 2.159 0 CA-C-O 114.994 -2.431 . . . . 0.0 106.309 175.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.2 169.51 8.51 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 126.157 2.161 . . . . 0.0 109.67 -176.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.98 142.89 28.23 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-O 123.151 1.453 . . . . 0.0 109.359 -176.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 67.16 19.06 10.43 Favored 'General case' 0 C--O 1.254 1.342 0 N-CA-C 117.806 2.521 . . . . 0.0 117.806 179.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -71.07 159.57 34.48 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 174.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.3 m -119.03 126.61 52.11 Favored 'General case' 0 C--N 1.307 -1.264 0 CA-C-O 118.142 -0.932 . . . . 0.0 108.784 175.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mp -103.17 154.59 19.16 Favored 'General case' 0 CA--C 1.544 0.726 0 CA-C-O 114.597 -2.62 . . . . 0.0 105.776 174.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.543 ' O ' HG23 ' B' ' 44' ' ' ILE . 3.0 m80 -105.55 135.83 46.24 Favored 'General case' 0 C--N 1.283 -2.307 0 O-C-N 127.644 3.09 . . . . 0.0 105.688 178.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.14 115.78 30.78 Favored 'General case' 0 C--O 1.283 2.845 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.403 176.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -108.06 139.93 28.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 N-CA-C 103.467 -2.79 . . . . 0.0 103.467 175.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.579 ' C ' HD23 ' B' ' 71' ' ' LEU . 2.9 tt -96.16 -83.47 0.37 Allowed 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 121.101 0.477 . . . . 0.0 109.795 178.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.41 ' HB2' ' H ' ' C' ' 102' ' ' SER . 40.0 ttp180 163.87 -49.99 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.543 0 CA-C-O 113.415 -3.183 . . . . 0.0 105.475 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 62.99 57.24 1.68 Allowed 'General case' 0 C--N 1.293 -1.873 0 O-C-N 125.663 1.852 . . . . 0.0 109.711 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 63.32 117.52 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 113.761 -1.563 . . . . 0.0 108.698 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -136.92 154.43 22.21 Favored Glycine 0 C--O 1.244 0.737 0 CA-C-N 114.822 -1.081 . . . . 0.0 115.143 -178.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.444 0 CA-C-O 116.595 -2.225 . . . . 0.0 108.292 179.022 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 CA--C 1.511 -0.549 0 CA-C-O 122.027 0.918 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -161.29 71.82 0.4 Allowed 'General case' 0 C--N 1.29 -2.008 0 O-C-N 119.055 -2.278 . . . . 0.0 111.031 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 14.2 tttm -153.72 72.58 0.92 Allowed 'General case' 0 CA--C 1.51 -0.57 0 C-N-CA 126.766 2.026 . . . . 0.0 110.623 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-N 115.377 -0.828 . . . . 0.0 111.612 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.438 HD13 ' CD2' ' C' ' 127' ' ' TYR . 24.9 mt -70.18 -39.66 75.14 Favored 'General case' 0 C--O 1.239 0.538 0 CA-C-O 121.682 0.754 . . . . 0.0 111.848 172.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.4 t -144.29 136.07 22.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.247 1.419 . . . . 0.0 107.461 -178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -144.3 148.06 34.32 Favored 'General case' 0 CA--C 1.515 -0.381 0 C-N-CA 119.664 -0.815 . . . . 0.0 110.625 165.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -161.03 155.17 22.79 Favored 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.225 0.953 . . . . 0.0 111.21 173.175 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 14.0 mtt-85 -72.29 127.77 33.57 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.24 -1.345 . . . . 0.0 112.338 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.18 147.69 6.74 Favored 'General case' 0 C--O 1.251 1.158 0 CA-C-N 115.128 -0.942 . . . . 0.0 110.077 179.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.98 164.85 25.15 Favored Glycine 0 N--CA 1.445 -0.737 0 N-CA-C 108.237 -1.945 . . . . 0.0 108.237 175.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.11 -179.19 3.78 Favored 'General case' 0 CA--C 1.514 -0.431 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 178.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 15.0 mtt -137.13 161.09 37.09 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 174.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.7 156.58 48.34 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.067 -1.453 . . . . 0.0 108.751 177.32 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.9 mt -92.74 116.16 28.77 Favored 'General case' 0 N--CA 1.437 -1.084 0 N-CA-C 105.842 -1.91 . . . . 0.0 105.842 177.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.39 115.91 29.48 Favored 'General case' 0 C--O 1.238 0.456 0 N-CA-C 106.465 -1.679 . . . . 0.0 106.465 172.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.25 -116.04 8.61 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -169.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 2.1 p -114.01 14.55 18.42 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.383 -0.409 . . . . 0.0 109.962 178.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 47.4 p -111.96 122.49 47.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -172.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.507 HG23 ' O ' ' C' ' 38' ' ' VAL . 34.6 m -76.16 120.0 25.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.148 -1.427 . . . . 0.0 107.148 174.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 66.5 p -124.07 119.31 26.57 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.17 -173.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.91 134.8 59.06 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 117.91 -0.927 . . . . 0.0 111.946 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 11.6 t0 -85.71 132.17 34.19 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 172.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.26 59.61 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -67.04 144.37 56.19 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 114.355 1.243 . . . . 0.0 114.355 -173.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.12 125.59 26.86 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 171.676 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . 0.445 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.37 171.26 21.58 Favored Glycine 0 C--N 1.316 -0.58 0 CA-C-O 123.189 1.438 . . . . 0.0 115.372 -179.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 16.4 tp -128.42 124.33 35.99 Favored 'General case' 0 N--CA 1.421 -1.877 0 N-CA-C 106.375 -1.713 . . . . 0.0 106.375 175.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 54.9 t -90.85 137.5 21.56 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.122 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 164.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.705 ' C ' HD13 ' C' ' 49' ' ' ILE . 11.3 p90 -151.97 157.85 42.31 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 122.074 0.94 . . . . 0.0 112.97 175.434 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.856 HD12 ' CD2' ' C' ' 59' ' ' PHE . 3.4 mm -118.84 131.07 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.768 0 CA-C-N 113.522 -1.672 . . . . 0.0 108.347 174.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -134.09 137.65 44.75 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.319 -0.993 . . . . 0.0 108.319 -178.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -100.16 122.01 42.33 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 18.6 p -84.05 171.12 13.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.272 177.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -71.5 -10.47 59.81 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.622 -0.831 . . . . 0.0 113.191 -170.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.69 7.47 14.77 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.044 170.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 1.6 m 73.8 -1.26 3.12 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.464 1.505 . . . . 0.0 114.703 -177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 63.8 mt -74.87 149.89 39.39 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 122.186 0.994 . . . . 0.0 113.095 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . 0.611 ' CG2' HD11 ' C' ' 75' ' ' ILE . 2.7 mp -102.21 129.03 54.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.045 -0.98 . . . . 0.0 109.145 -177.581 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 0.5 OUTLIER -117.51 125.38 50.77 Favored 'General case' 0 N--CA 1.45 -0.471 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 -176.579 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . 0.856 ' CD2' HD12 ' C' ' 49' ' ' ILE . 1.7 m-85 -98.87 119.04 36.96 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 106.733 -1.58 . . . . 0.0 106.733 171.265 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 55.9 m -127.75 156.76 41.92 Favored 'General case' 0 C--O 1.237 0.437 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -171.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . 0.507 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.47 128.35 41.06 Favored 'General case' 0 C--O 1.243 0.758 0 CA-C-N 113.485 -1.689 . . . . 0.0 108.646 169.273 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -120.7 134.36 55.29 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 113.976 -1.466 . . . . 0.0 109.753 -176.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.22 115.31 13.58 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 107.768 -1.197 . . . . 0.0 107.768 173.328 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.02 -32.42 73.97 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 71.0 p -72.5 -46.16 56.03 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -175.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 93.5 p -91.42 -20.51 21.71 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.555 -176.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.55 2.75 60.84 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 119.713 -0.493 . . . . 0.0 113.77 -171.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 11.2 t30 -72.54 130.02 39.66 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.624 1.212 . . . . 0.0 113.144 178.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 60.6 t -84.17 109.05 17.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 173.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -94.47 -28.77 15.29 Favored 'General case' 0 C--O 1.207 -1.169 0 C-N-CA 119.755 -0.778 . . . . 0.0 111.047 -171.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -122.03 135.63 54.85 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.782 0.801 . . . . 0.0 109.383 177.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -155.08 103.33 2.38 Favored 'General case' 0 CA--C 1.499 -0.987 0 N-CA-C 104.493 -2.41 . . . . 0.0 104.493 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 4.6 mt -118.06 123.25 45.19 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 114.308 -1.315 . . . . 0.0 109.253 -174.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.91 124.3 33.72 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.9 0 CA-C-O 122.392 1.091 . . . . 0.0 111.717 168.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.806 HD13 ' HB2' ' C' ' 128' ' ' LEU . 1.9 pp -122.96 130.36 74.51 Favored 'Isoleucine or valine' 0 CA--C 1.488 -1.41 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.602 -174.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -101.24 158.99 30.75 Favored Pre-proline 0 C--O 1.241 0.622 0 O-C-N 124.434 1.084 . . . . 0.0 110.87 173.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.32 133.85 58.05 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.931 2.421 . . . . 0.0 111.289 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.58 6.8 5.9 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.617 2.08 . . . . 0.0 116.617 -175.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.45 -33.54 71.4 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 119.038 0.835 . . . . 0.0 109.638 176.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 31.1 p -154.97 168.18 27.84 Favored 'General case' 0 C--N 1.319 -0.747 0 C-N-CA 118.446 -1.302 . . . . 0.0 113.593 -173.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . 0.495 ' N ' HE21 ' B' ' 49' ' ' GLN . 10.8 tt0 -133.36 139.29 46.73 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.426 -1.716 . . . . 0.0 107.024 -178.116 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -106.69 124.19 49.25 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.248 -1.389 . . . . 0.0 107.248 177.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -148.51 156.48 42.51 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -177.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 1.2 ptp180 -67.77 142.85 56.1 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.098 -0.955 . . . . 0.0 108.426 177.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . 0.695 ' HB ' HG13 ' C' ' 93' ' ' VAL . 3.0 t -94.29 98.37 2.9 Favored Pre-proline 0 C--N 1.32 -0.693 0 N-CA-C 106.187 -1.783 . . . . 0.0 106.187 171.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_endo -61.07 -31.89 91.28 Favored 'Trans proline' 0 C--N 1.329 -0.479 0 N-CA-C 117.834 2.206 . . . . 0.0 117.834 -167.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -91.08 8.6 34.71 Favored 'General case' 0 C--N 1.32 -0.674 0 C-N-CA 118.011 -1.476 . . . . 0.0 112.145 -164.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . 0.54 ' HB2' HG11 ' C' ' 93' ' ' VAL . 12.6 t -85.09 119.62 72.67 Favored Pre-proline 0 CA--C 1.515 -0.387 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -56.96 -19.86 34.09 Favored 'Trans proline' 0 C--N 1.346 0.412 0 O-C-N 122.949 0.973 . . . . 0.0 114.488 -173.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 56.3 m -65.52 -34.63 78.71 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.351 0.523 . . . . 0.0 110.047 178.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 12.99 64.73 Favored Glycine 0 CA--C 1.505 -0.567 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.587 -172.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 9.5 mtm180 -120.97 17.1 11.74 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . 0.695 HG13 ' HB ' ' C' ' 85' ' ' VAL . 2.5 p -97.08 133.5 38.42 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.186 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 173.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 74.7 m-85 -125.1 151.79 45.23 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 125.46 1.725 . . . . 0.0 110.404 178.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.3 m -127.03 135.32 63.95 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.869 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tt -95.41 108.09 20.27 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 104.91 -2.255 . . . . 0.0 104.91 169.026 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.19 125.17 51.94 Favored 'General case' 0 CA--C 1.486 -1.502 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 -171.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -84.88 115.66 22.89 Favored 'General case' 0 C--O 1.239 0.545 0 O-C-N 124.154 0.909 . . . . 0.0 109.214 176.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.38 -25.21 68.18 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.942 -1.027 . . . . 0.0 111.355 -169.577 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.26 115.17 28.88 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . 0.405 ' HA2' ' HA ' ' B' ' 72' ' ' ARG . . . 101.93 172.39 27.68 Favored Glycine 0 N--CA 1.448 -0.553 0 N-CA-C 110.661 -0.976 . . . . 0.0 110.661 -172.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . 0.41 ' H ' ' HB2' ' B' ' 72' ' ' ARG . 0.4 OUTLIER -91.37 9.03 33.3 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 122.037 -0.684 . . . . 0.0 110.549 179.408 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . 0.51 ' HG3' ' HB1' ' A' ' 46' ' ' ALA . 0.3 OUTLIER -70.65 129.21 38.57 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 117.881 -1.528 . . . . 0.0 110.606 -165.054 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.74 46.18 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.958 175.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -124.5 126.17 45.43 Favored 'General case' 0 CA--C 1.501 -0.922 0 N-CA-C 105.821 -1.918 . . . . 0.0 105.821 171.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -100.84 143.59 30.82 Favored 'General case' 0 N--CA 1.442 -0.875 0 O-C-N 124.722 1.264 . . . . 0.0 110.297 -177.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -137.03 156.67 48.13 Favored 'General case' 0 CA--C 1.508 -0.665 0 CA-C-N 114.512 -1.222 . . . . 0.0 109.344 178.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.46 126.67 35.64 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.544 -0.863 . . . . 0.0 110.36 175.017 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.65 137.84 58.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.198 -174.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -118.91 3.97 11.5 Favored 'General case' 0 N--CA 1.428 -1.555 0 CA-C-N 114.602 -1.181 . . . . 0.0 110.276 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.31 135.89 93.88 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.099 1.428 . . . . 0.0 108.614 172.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.36 -41.23 42.96 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.561 -1.16 . . . . 0.0 112.447 -174.061 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 26.5 mmmt -96.18 146.9 24.29 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.508 173.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 23.1 p -83.39 -9.4 59.07 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.133 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -33.88 55.9 Favored 'General case' 0 C--O 1.221 -0.423 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -103.07 5.74 38.21 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.841 1.052 . . . . 0.0 113.841 -174.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -56.89 -48.77 77.42 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 118.946 -1.102 . . . . 0.0 110.306 -177.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -69.83 -32.14 70.4 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 119.388 -0.925 . . . . 0.0 110.597 -173.496 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.42 -44.0 79.84 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.883 0.373 . . . . 0.0 110.851 175.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -55.65 -45.88 77.56 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.015 -1.053 . . . . 0.0 112.249 173.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . 0.808 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 10.6 t -60.63 -43.03 97.99 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-O 121.611 0.72 . . . . 0.0 110.324 179.007 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.88 -43.44 98.84 Favored 'General case' 0 C--O 1.242 0.701 0 CA-C-N 115.418 -0.81 . . . . 0.0 109.152 -179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -64.22 -42.29 96.65 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . 0.808 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 5.7 m -52.37 -51.84 29.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 120.126 -0.63 . . . . 0.0 110.456 175.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . 0.512 ' HA ' HD23 ' C' ' 128' ' ' LEU . 0.6 OUTLIER -60.37 -39.43 87.19 Favored 'General case' 0 N--CA 1.447 -0.604 0 N-CA-C 113.058 0.762 . . . . 0.0 113.058 -178.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -46.0 82.18 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 120.823 0.344 . . . . 0.0 111.51 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . 0.438 ' CD2' HD13 ' C' ' 23' ' ' LEU . 11.8 m-85 -79.12 -24.42 43.39 Favored 'General case' 0 C--O 1.217 -0.634 0 C-N-CA 119.428 -0.909 . . . . 0.0 112.3 -174.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.806 ' HB2' HD13 ' C' ' 75' ' ' ILE . 0.4 OUTLIER -79.04 -36.11 41.57 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.794 -0.763 . . . . 0.0 112.24 174.511 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . 0.466 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 0.0 OUTLIER -110.78 -11.09 14.42 Favored 'General case' 0 CA--C 1.513 -0.461 0 N-CA-C 113.029 0.752 . . . . 0.0 113.029 -168.541 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -141.18 71.88 27.33 Favored Pre-proline 0 N--CA 1.469 0.477 0 N-CA-C 113.491 0.923 . . . . 0.0 113.491 169.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 89.3 Cg_endo -79.3 168.42 20.19 Favored 'Trans proline' 0 C--N 1.314 -1.28 0 C-N-CA 121.598 1.532 . . . . 0.0 111.678 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 86.6 Cg_exo . . . . . 0 C--N 1.289 -2.564 0 C-N-CA 122.466 2.11 . . . . 0.0 111.559 179.898 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.2 mmt . . . . . 0 CA--C 1.55 0.951 0 N-CA-C 106.882 -1.525 . . . . 0.0 106.882 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.11 138.27 31.73 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 126.964 2.665 . . . . 0.0 108.901 178.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.9 pt -131.27 162.99 38.29 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.38 0 N-CA-C 105.536 -2.024 . . . . 0.0 105.536 173.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.99 140.24 49.45 Favored 'General case' 0 N--CA 1.513 2.678 1 O-C-N 130.624 4.952 . . . . 0.0 108.772 179.61 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -118.04 114.19 44.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.768 0 CA-C-O 113.423 -3.18 . . . . 0.0 105.634 175.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.21 127.55 41.35 Favored 'General case' 0 N--CA 1.506 2.374 1 O-C-N 129.307 4.13 . . . . 0.0 107.867 -178.087 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . 0.721 HG23 ' H ' ' A' ' 9' ' ' THR . 14.9 t -99.59 170.86 8.29 Favored 'General case' 0 C--N 1.355 0.832 0 CA-C-O 117.916 -1.04 . . . . 0.0 109.269 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.42 -6.93 49.43 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 124.142 0.901 . . . . 0.0 112.747 -178.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . 0.721 ' H ' HG23 ' A' ' 7' ' ' THR . 2.8 m -101.56 15.03 30.18 Favored 'General case' 0 N--CA 1.502 2.173 0 C-N-CA 115.68 -2.408 . . . . 0.0 111.972 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 16.9 80.09 Favored Glycine 0 C--N 1.297 -1.621 0 O-C-N 120.204 -1.56 . . . . 0.0 116.08 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.546 ' O ' HG22 ' A' ' 7' ' ' THR . 0.0 OUTLIER -96.46 138.05 34.63 Favored 'General case' 0 C--N 1.31 -1.132 0 N-CA-C 105.327 -2.101 . . . . 0.0 105.327 174.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.1 p -120.0 131.66 55.22 Favored 'General case' 0 N--CA 1.476 0.836 0 O-C-N 126.544 2.403 . . . . 0.0 105.965 176.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.0 mm -109.54 141.96 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 127.65 3.094 . . . . 0.0 108.857 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 t -101.39 139.7 36.7 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.176 -1.809 . . . . 0.0 108.188 178.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.2 mt -126.43 154.0 44.25 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-O 115.443 -2.218 . . . . 0.0 108.32 -179.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -111.81 121.01 43.92 Favored 'General case' 0 N--CA 1.499 2.003 1 O-C-N 129.226 4.079 . . . . 0.0 103.643 173.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 22.1 m -138.94 170.55 16.07 Favored 'Isoleucine or valine' 0 C--O 1.255 1.345 0 O-C-N 127.51 3.006 . . . . 0.0 111.266 -177.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -119.91 144.43 37.4 Favored Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 112.451 -2.159 . . . . 0.0 106.445 174.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_exo -55.01 -24.29 39.16 Favored 'Trans proline' 0 C--N 1.321 -0.9 0 C-N-CA 122.468 2.112 . . . . 0.0 112.004 177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.7 p -80.04 -8.07 59.18 Favored 'General case' 0 C--O 1.243 0.742 0 CA-C-O 118.031 -0.985 . . . . 0.0 110.92 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -71.13 148.47 47.38 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 117.297 -1.761 . . . . 0.0 109.846 -179.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.2 OUTLIER -83.67 160.52 21.32 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 108.281 -1.007 . . . . 0.0 108.281 175.76 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 20.1 mm -61.51 -37.04 76.91 Favored 'Isoleucine or valine' 0 C--O 1.245 0.848 0 O-C-N 127.148 2.78 . . . . 0.0 110.189 175.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.55 -40.25 78.47 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.32 -0.862 . . . . 0.0 110.658 177.046 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.33 -41.86 80.18 Favored 'General case' 0 C--O 1.263 1.772 0 O-C-N 121.837 -0.539 . . . . 0.0 110.984 -178.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.8 t -58.29 -46.46 88.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 O-C-N 124.473 1.108 . . . . 0.0 109.137 178.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 86.2 mttt -60.74 -37.98 83.58 Favored 'General case' 0 C--O 1.26 1.63 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.7 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.08 87.23 Favored 'General case' 0 C--O 1.278 2.564 0 CA-C-N 118.144 0.429 . . . . 0.0 111.154 176.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.18 -37.43 87.44 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 120.432 -1.417 . . . . 0.0 110.701 176.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.488 HD13 HE22 ' A' ' 41' ' ' GLN . 2.9 mt -70.07 -39.47 77.25 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -62.24 -48.71 78.73 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 125.496 2.569 . . . . 0.0 109.102 179.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -53.23 -41.71 65.69 Favored 'General case' 0 C--O 1.254 1.312 0 CA-C-N 113.466 -1.697 . . . . 0.0 111.935 179.003 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 16.0 ttmt -93.67 -24.19 17.97 Favored 'General case' 0 C--O 1.281 2.732 0 N-CA-C 117.168 2.285 . . . . 0.0 117.168 -175.861 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -123.48 -6.42 8.14 Favored 'General case' 0 C--N 1.304 -1.378 0 CA-C-N 123.146 2.703 . . . . 0.0 114.194 179.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.12 5.56 90.02 Favored Glycine 0 CA--C 1.478 -2.265 0 N-CA-C 118.934 2.334 . . . . 0.0 118.934 176.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.472 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 68.5 mt -79.85 124.76 83.14 Favored Pre-proline 0 C--O 1.244 0.764 0 C-N-CA 118.886 -1.126 . . . . 0.0 110.936 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.472 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.9 Cg_exo -56.94 136.87 79.15 Favored 'Trans proline' 0 C--O 1.259 1.527 0 C-N-CA 123.362 2.708 . . . . 0.0 110.815 178.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.1 Cg_exo -57.31 -31.83 92.04 Favored 'Trans proline' 0 C--O 1.262 1.691 0 O-C-N 122.949 0.973 . . . . 0.0 113.605 -179.371 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -15.19 63.45 Favored 'General case' 0 C--O 1.262 1.74 0 O-C-N 119.921 -1.737 . . . . 0.0 112.213 -177.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.07 -10.19 29.01 Favored 'General case' 0 N--CA 1.484 1.228 0 O-C-N 120.709 -1.245 . . . . 0.0 112.027 178.571 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.488 HE22 HD13 ' A' ' 30' ' ' ILE . 32.5 mt-30 -84.9 129.62 34.78 Favored 'General case' 0 C--N 1.315 -0.935 0 CA-C-O 124.35 2.024 . . . . 0.0 115.68 -177.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.478 ' HG3' HD11 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -121.07 116.1 24.37 Favored 'General case' 0 C--O 1.299 3.67 0 N-CA-C 104.954 -2.239 . . . . 0.0 104.954 171.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.4 mt -103.54 130.12 50.89 Favored 'General case' 0 N--CA 1.488 1.449 0 CA-C-N 119.462 1.028 . . . . 0.0 109.932 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.478 HD11 ' HG3' ' A' ' 42' ' ' ARG . 2.1 mm -122.0 131.92 72.08 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.864 0 O-C-N 125.219 1.575 . . . . 0.0 111.923 -177.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -144.41 129.54 18.62 Favored 'General case' 0 C--N 1.36 1.053 0 N-CA-C 105.366 -2.087 . . . . 0.0 105.366 177.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 46.09 19.68 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-N 112.229 -2.26 . . . . 0.0 110.781 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.6 21.7 60.77 Favored Glycine 0 N--CA 1.432 -1.627 0 C-N-CA 128.694 3.045 . . . . 0.0 117.513 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.9 mttt -114.88 142.82 46.06 Favored 'General case' 0 C--N 1.308 -1.227 0 N-CA-C 107.216 -1.401 . . . . 0.0 107.216 177.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.6 pp0? -85.88 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.502 0 N-CA-C 103.817 -2.66 . . . . 0.0 103.817 174.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 40.8 mt -79.43 138.05 37.47 Favored 'General case' 0 C--N 1.313 -1.019 0 CA-C-O 117.581 -1.199 . . . . 0.0 110.276 -175.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -101.72 140.12 36.44 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 125.182 1.551 . . . . 0.0 109.933 -177.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.6 m-20 -48.01 -42.51 28.31 Favored 'General case' 0 C--O 1.265 1.896 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -175.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.63 -8.92 85.41 Favored Glycine 0 CA--C 1.49 -1.496 0 N-CA-C 116.195 1.238 . . . . 0.0 116.195 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.4 165.35 17.29 Favored 'General case' 0 C--O 1.25 1.107 0 O-C-N 119.838 -1.977 . . . . 0.0 108.001 176.536 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 53.1 p -104.43 164.87 11.43 Favored 'General case' 0 N--CA 1.484 1.25 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 176.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.55 -36.15 79.78 Favored 'General case' 0 C--O 1.202 -1.417 0 N-CA-C 108.118 -1.068 . . . . 0.0 108.118 177.228 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.6 m -64.06 -29.46 70.6 Favored 'General case' 0 C--O 1.267 1.998 0 C-N-CA 117.287 -1.765 . . . . 0.0 112.255 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.52 -39.58 70.69 Favored 'General case' 0 N--CA 1.486 1.347 0 CA-C-O 122.421 1.105 . . . . 0.0 110.703 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 91.1 m-85 -90.76 4.69 50.9 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 117.666 -1.159 . . . . 0.0 112.996 179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 58.12 45.22 17.97 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 121.584 1.993 . . . . 0.0 111.201 179.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 4.9 mt -88.76 116.55 30.59 Favored 'Isoleucine or valine' 0 C--O 1.267 1.999 0 CA-C-O 115.147 -2.359 . . . . 0.0 106.194 175.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -103.57 169.61 8.43 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 126.028 2.08 . . . . 0.0 109.334 -176.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.86 142.87 27.7 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-O 123.193 1.473 . . . . 0.0 109.168 -176.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.589 ' O ' HD12 ' B' ' 8' ' ' LEU . 17.1 mm-40 67.05 19.15 10.54 Favored 'General case' 0 C--O 1.254 1.334 0 N-CA-C 118.027 2.602 . . . . 0.0 118.027 179.395 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.17 159.55 34.45 Favored 'General case' 0 CA--C 1.546 0.821 0 N-CA-C 107.254 -1.387 . . . . 0.0 107.254 174.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.444 HG21 HG21 ' B' ' 70' ' ' VAL . 0.8 OUTLIER -119.16 126.73 52.29 Favored 'General case' 0 C--N 1.307 -1.251 0 CA-C-O 118.114 -0.946 . . . . 0.0 108.863 175.782 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 18.2 mt -103.23 154.52 19.25 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-O 114.851 -2.5 . . . . 0.0 105.631 175.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -105.57 135.66 46.57 Favored 'General case' 0 C--N 1.287 -2.112 0 O-C-N 127.3 2.875 . . . . 0.0 105.846 178.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 15.4 tp -106.95 115.75 30.72 Favored 'General case' 0 C--O 1.284 2.895 0 CA-C-O 117.674 -1.155 . . . . 0.0 111.407 176.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -108.0 139.92 28.33 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.915 0 N-CA-C 103.568 -2.752 . . . . 0.0 103.568 175.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 28.8 mt -96.1 138.83 33.14 Favored 'General case' 0 C--N 1.311 -1.081 0 CA-C-O 121.247 0.546 . . . . 0.0 109.838 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.65 -169.7 2.37 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-O 113.148 -3.311 . . . . 0.0 105.605 178.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mt -134.0 48.48 2.34 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 125.942 2.027 . . . . 0.0 109.513 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.0 mtp85 -99.07 68.39 1.68 Allowed 'General case' 0 C--O 1.246 0.884 0 CA-C-N 113.706 -1.588 . . . . 0.0 108.91 -179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 127.95 137.28 4.4 Favored Glycine 0 C--O 1.246 0.868 0 CA-C-N 114.538 -1.21 . . . . 0.0 115.177 -178.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.395 0 N-CA-C 108.313 -1.915 . . . . 0.0 108.313 179.502 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 107.272 -1.381 . . . . 0.0 107.272 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.5 mm100 -91.02 138.44 31.6 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 127.111 2.757 . . . . 0.0 108.838 178.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.498 HD11 HD12 ' B' ' 15' ' ' LEU . 1.5 pp -131.13 163.06 38.02 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.3 0 CA-C-O 115.77 -2.062 . . . . 0.0 105.92 173.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -115.92 140.16 49.52 Favored 'General case' 0 N--CA 1.515 2.795 1 O-C-N 130.56 4.913 . . . . 0.0 108.613 179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -117.83 114.05 44.19 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.691 0 CA-C-O 113.338 -3.22 . . . . 0.0 105.855 175.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.19 127.69 41.44 Favored 'General case' 0 N--CA 1.503 2.177 1 O-C-N 129.164 4.04 . . . . 0.0 108.047 -178.071 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . 0.647 HG22 ' O ' ' B' ' 11' ' ' LYS . 11.1 t -99.59 170.85 8.3 Favored 'General case' 0 C--N 1.353 0.76 0 CA-C-O 117.76 -1.114 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.589 HD12 ' O ' ' A' ' 64' ' ' GLU . 28.3 mt -73.34 -7.04 49.92 Favored 'General case' 0 N--CA 1.482 1.126 0 O-C-N 124.137 0.898 . . . . 0.0 112.834 -178.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.595 ' H ' HG23 ' B' ' 7' ' ' THR . 0.2 OUTLIER -101.24 14.9 30.52 Favored 'General case' 0 N--CA 1.505 2.296 0 C-N-CA 115.724 -2.391 . . . . 0.0 111.916 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.3 16.74 80.19 Favored Glycine 0 C--N 1.296 -1.664 0 O-C-N 120.232 -1.543 . . . . 0.0 116.117 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.647 ' O ' HG22 ' B' ' 7' ' ' THR . 0.1 OUTLIER -96.28 137.8 34.82 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 105.525 -2.028 . . . . 0.0 105.525 174.85 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.79 131.91 55.46 Favored 'General case' 0 N--CA 1.472 0.629 0 O-C-N 126.363 2.289 . . . . 0.0 106.179 176.128 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.8 mp -109.51 141.76 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.677 0 O-C-N 127.747 3.154 . . . . 0.0 109.15 179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 29.3 p -101.18 139.95 36.16 Favored 'General case' 0 N--CA 1.497 1.906 0 C-N-CA 116.931 -1.908 . . . . 0.0 108.408 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.498 HD12 HD11 ' B' ' 3' ' ' ILE . 20.1 mt -126.56 154.02 44.45 Favored 'General case' 0 N--CA 1.446 -0.629 0 CA-C-O 115.426 -2.226 . . . . 0.0 108.388 -179.279 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -111.76 121.22 44.5 Favored 'General case' 0 N--CA 1.495 1.822 1 O-C-N 129.256 4.097 . . . . 0.0 103.551 174.056 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.15 170.65 15.7 Favored 'Isoleucine or valine' 0 C--O 1.252 1.212 0 O-C-N 127.768 3.167 . . . . 0.0 111.179 -177.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.05 144.64 38.1 Favored Pre-proline 0 C--N 1.313 -0.99 0 CA-C-N 112.008 -2.36 . . . . 0.0 106.346 174.566 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -54.83 -24.76 39.97 Favored 'Trans proline' 0 C--N 1.317 -1.115 0 C-N-CA 122.632 2.221 . . . . 0.0 111.606 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 1.2 t -79.81 -8.31 59.2 Favored 'General case' 0 C--O 1.241 0.64 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.91 -177.313 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -70.88 148.42 47.81 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 117.377 -1.729 . . . . 0.0 109.794 -179.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.0 p -83.75 160.46 21.25 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 175.73 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.654 HD13 ' O ' ' B' ' 51' ' ' GLU . 1.9 mt -61.4 -36.8 75.42 Favored 'Isoleucine or valine' 0 C--O 1.241 0.646 0 O-C-N 126.962 2.664 . . . . 0.0 110.408 175.778 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.794 ' CG ' ' HB2' ' B' ' 52' ' ' ASP . 98.2 mt-10 -56.13 -42.95 77.73 Favored 'General case' 0 C--O 1.253 1.274 0 O-C-N 120.399 -1.438 . . . . 0.0 110.972 176.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.43 -44.53 90.91 Favored 'General case' 0 C--O 1.25 1.084 0 C-N-CA 124.195 0.998 . . . . 0.0 111.421 -179.082 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 1.8 t -58.51 -46.32 89.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 O-C-N 124.854 1.346 . . . . 0.0 109.025 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 34.6 mttt -60.83 -37.88 83.55 Favored 'General case' 0 C--O 1.256 1.424 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.868 -179.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.33 -37.94 86.53 Favored 'General case' 0 C--O 1.278 2.568 0 O-C-N 123.365 0.416 . . . . 0.0 111.372 176.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 8.7 mmtp -64.0 -37.46 87.49 Favored 'General case' 0 C--O 1.255 1.351 0 O-C-N 120.379 -1.451 . . . . 0.0 110.859 175.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 2.4 mt -69.71 -39.7 78.37 Favored 'Isoleucine or valine' 0 C--O 1.254 1.332 0 N-CA-C 106.867 -1.531 . . . . 0.0 106.867 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.0 -48.76 78.86 Favored 'General case' 0 N--CA 1.499 1.985 0 CA-C-O 125.566 2.603 . . . . 0.0 108.98 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.55 -41.71 66.73 Favored 'General case' 0 C--O 1.257 1.481 0 CA-C-N 113.674 -1.603 . . . . 0.0 111.866 179.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.323 4.8 ttmt -93.41 -24.37 18.08 Favored 'General case' 0 C--O 1.28 2.701 0 N-CA-C 117.2 2.296 . . . . 0.0 117.2 -175.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.66 -6.28 8.05 Favored 'General case' 0 C--N 1.306 -1.308 0 CA-C-N 122.963 2.62 . . . . 0.0 113.723 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.03 5.59 90.04 Favored Glycine 0 CA--C 1.476 -2.381 0 N-CA-C 118.762 2.265 . . . . 0.0 118.762 176.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.475 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 86.7 mt -79.92 125.02 82.86 Favored Pre-proline 0 C--O 1.242 0.687 0 C-N-CA 118.766 -1.174 . . . . 0.0 111.044 179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.475 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 83.3 Cg_exo -57.19 137.01 79.82 Favored 'Trans proline' 0 C--O 1.255 1.371 0 C-N-CA 122.987 2.458 . . . . 0.0 110.824 178.328 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -57.2 -32.12 92.6 Favored 'Trans proline' 0 C--O 1.26 1.622 0 O-C-N 123.133 1.07 . . . . 0.0 113.396 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.34 -15.7 63.66 Favored 'General case' 0 C--O 1.264 1.855 0 O-C-N 119.899 -1.75 . . . . 0.0 112.145 -177.489 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.794 ' HB3' HD11 ' B' ' 71' ' ' LEU . 19.2 mm-40 -95.41 -10.54 29.67 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 120.493 -1.379 . . . . 0.0 112.23 178.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -84.84 129.63 34.78 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-O 124.271 1.986 . . . . 0.0 115.746 -177.548 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . 0.525 ' HG3' ' O ' ' C' ' 101' ' ' GLY . 2.2 mmt180 -121.18 116.05 24.2 Favored 'General case' 0 C--O 1.3 3.719 0 N-CA-C 104.74 -2.319 . . . . 0.0 104.74 172.249 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.539 ' C ' HD13 ' B' ' 44' ' ' ILE . 13.7 mt -103.49 130.33 50.84 Favored 'General case' 0 N--CA 1.485 1.278 0 CA-C-N 119.529 1.059 . . . . 0.0 109.958 -177.702 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.539 HD13 ' C ' ' B' ' 43' ' ' LEU . 0.1 OUTLIER -122.03 131.63 72.72 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.745 0 O-C-N 125.164 1.54 . . . . 0.0 112.085 -177.665 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.973 ' O ' ' OH ' ' B' ' 59' ' ' TYR . 57.3 t80 -144.28 129.79 18.99 Favored 'General case' 0 C--N 1.359 0.988 0 N-CA-C 105.291 -2.115 . . . . 0.0 105.291 177.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.15 45.95 19.69 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 111.915 -2.402 . . . . 0.0 110.635 177.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.97 20.17 59.77 Favored Glycine 0 C--N 1.299 -1.526 0 C-N-CA 128.175 2.798 . . . . 0.0 117.293 -179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . 0.574 ' HB2' ' CZ ' ' B' ' 59' ' ' TYR . 25.1 mtt180 -109.97 143.78 39.45 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 115.412 -2.233 . . . . 0.0 110.95 174.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -87.17 130.34 34.58 Favored 'General case' 0 C--N 1.282 -2.366 0 N-CA-C 103.959 -2.608 . . . . 0.0 103.959 173.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.433 ' HB3' HG12 ' B' ' 23' ' ' ILE . 5.5 mp -79.51 138.38 37.51 Favored 'General case' 0 C--N 1.311 -1.074 0 CA-C-O 117.507 -1.235 . . . . 0.0 110.096 -175.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 0.654 ' O ' HD13 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -101.89 140.03 36.73 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 125.271 1.607 . . . . 0.0 109.903 -177.661 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.794 ' HB2' ' CG ' ' B' ' 24' ' ' GLU . 0.5 OUTLIER -48.19 -42.09 28.95 Favored 'General case' 0 C--O 1.263 1.765 0 N-CA-C 120.807 3.632 . . . . 0.0 120.807 -175.851 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.48 85.26 Favored Glycine 0 CA--C 1.493 -1.323 0 N-CA-C 116.002 1.161 . . . . 0.0 116.002 -177.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 57.0 mtt180 -85.64 165.24 17.17 Favored 'General case' 0 C--O 1.25 1.103 0 O-C-N 120.181 -1.776 . . . . 0.0 107.966 176.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.459 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 43.4 p -104.24 164.43 11.73 Favored 'General case' 0 C--N 1.312 -1.042 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 177.03 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -36.46 79.52 Favored 'General case' 0 C--O 1.201 -1.49 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.68 -29.77 70.96 Favored 'General case' 0 C--O 1.266 1.921 0 C-N-CA 117.33 -1.748 . . . . 0.0 112.185 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 -39.02 70.41 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-O 122.498 1.142 . . . . 0.0 110.809 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.973 ' OH ' ' O ' ' B' ' 45' ' ' PHE . 0.6 OUTLIER -91.09 4.44 52.14 Favored 'General case' 0 C--N 1.302 -1.464 0 CA-C-O 117.648 -1.168 . . . . 0.0 112.931 179.147 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 58.11 45.22 18.0 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 121.644 2.02 . . . . 0.0 111.285 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . . . . . . . . . 16.1 mt -88.68 116.27 30.06 Favored 'Isoleucine or valine' 0 C--O 1.269 2.114 0 CA-C-O 115.019 -2.419 . . . . 0.0 106.276 175.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.28 169.57 8.47 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 126.151 2.157 . . . . 0.0 109.716 -176.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -55.11 143.0 28.58 Favored 'General case' 0 N--CA 1.447 -0.594 0 CA-C-O 123.176 1.465 . . . . 0.0 109.225 -176.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.14 19.07 10.44 Favored 'General case' 0 C--O 1.254 1.336 0 N-CA-C 117.8 2.519 . . . . 0.0 117.8 179.529 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 21.9 p -71.21 159.64 34.28 Favored 'General case' 0 CA--C 1.548 0.881 0 N-CA-C 107.134 -1.432 . . . . 0.0 107.134 174.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.5 t -119.04 126.61 52.1 Favored 'General case' 0 C--N 1.307 -1.253 0 CA-C-O 118.243 -0.885 . . . . 0.0 108.775 175.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 mt -103.15 154.61 19.12 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-O 114.685 -2.579 . . . . 0.0 105.714 175.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -105.68 135.84 46.37 Favored 'General case' 0 C--N 1.283 -2.286 0 O-C-N 127.572 3.045 . . . . 0.0 105.635 177.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 2.2 tt -107.17 115.88 30.94 Favored 'General case' 0 C--O 1.284 2.872 0 CA-C-O 117.732 -1.128 . . . . 0.0 111.337 176.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.444 HG21 HG21 ' A' ' 66' ' ' THR . 24.4 t -108.14 139.85 28.8 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 N-CA-C 103.539 -2.763 . . . . 0.0 103.539 175.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.794 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.06 -83.5 0.37 Allowed 'General case' 0 N--CA 1.478 0.954 0 CA-C-O 121.082 0.468 . . . . 0.0 109.818 178.47 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.421 ' CB ' ' HA2' ' C' ' 101' ' ' GLY . 0.0 OUTLIER 64.55 102.66 0.04 OUTLIER 'General case' 0 C--N 1.276 -2.604 0 CA-C-O 113.407 -3.187 . . . . 0.0 105.393 179.738 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.27 -87.57 0.0 OUTLIER 'General case' 0 C--N 1.294 -1.821 0 O-C-N 125.729 1.893 . . . . 0.0 109.717 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.2 mtt180 -141.31 113.4 7.94 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 113.827 -1.533 . . . . 0.0 108.716 -179.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -80.62 170.41 53.25 Favored Glycine 0 C--O 1.244 0.751 0 CA-C-N 114.768 -1.106 . . . . 0.0 115.145 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.476 0 CA-C-O 116.468 -2.296 . . . . 0.0 108.352 179.008 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 CA--C 1.512 -0.484 0 CA-C-O 121.92 0.866 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -158.5 -64.03 0.08 Allowed 'General case' 0 C--N 1.29 -2.007 0 O-C-N 119.127 -2.233 . . . . 0.0 110.97 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 19.2 mttm 55.65 103.6 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 126.753 2.021 . . . . 0.0 110.629 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -89.04 137.83 31.96 Favored 'General case' 0 N--CA 1.444 -0.732 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.607 -178.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' C' ' 127' ' ' TYR . 0.1 OUTLIER -70.18 -39.69 75.1 Favored 'General case' 0 C--O 1.24 0.567 0 CA-C-O 121.647 0.737 . . . . 0.0 111.8 172.485 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.513 ' HB ' HG12 ' C' ' 49' ' ' ILE . 0.5 OUTLIER -144.29 136.05 21.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 125.247 1.419 . . . . 0.0 107.497 -178.201 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -144.28 148.03 34.31 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.666 -0.814 . . . . 0.0 110.541 165.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -160.96 155.29 23.13 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.159 0.912 . . . . 0.0 111.191 173.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 -72.29 127.84 33.81 Favored 'General case' 0 C--O 1.254 1.3 0 CA-C-N 114.216 -1.356 . . . . 0.0 112.313 178.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.21 147.69 6.69 Favored 'General case' 0 C--O 1.252 1.191 0 CA-C-O 122.112 0.958 . . . . 0.0 110.088 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.94 164.84 25.21 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.266 -1.934 . . . . 0.0 108.266 175.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 1.3 mtpt -109.14 -179.21 3.78 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 5.6 mtt -137.13 161.08 37.1 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . 0.601 ' O ' HG22 ' C' ' 39' ' ' THR . 25.6 m -136.74 156.54 48.39 Favored 'General case' 0 C--N 1.319 -0.719 0 C-N-CA 118.038 -1.465 . . . . 0.0 108.702 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 mp -92.75 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 9.6 mptt -112.34 115.82 29.36 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 106.577 -1.638 . . . . 0.0 106.577 172.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.22 -116.04 8.62 Favored Glycine 0 N--CA 1.445 -0.733 0 N-CA-C 108.288 -1.925 . . . . 0.0 108.288 -169.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.2 m -113.97 14.56 18.47 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 115.369 -0.415 . . . . 0.0 109.962 178.035 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 30.1 p -112.04 122.53 48.02 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -172.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . 0.495 HG23 ' O ' ' C' ' 38' ' ' VAL . 27.6 m -76.17 120.07 25.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 N-CA-C 107.019 -1.474 . . . . 0.0 107.019 174.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . 0.601 HG22 ' O ' ' C' ' 32' ' ' SER . 1.3 t -124.12 119.31 26.51 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.17 -173.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.82 134.83 59.57 Favored 'Trans proline' 0 N--CA 1.458 -0.612 0 C-N-CA 117.954 -0.898 . . . . 0.0 111.885 173.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -85.79 132.22 34.16 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 105.315 -2.106 . . . . 0.0 105.315 172.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -11.25 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 -172.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 1.4 mtt-85 -67.08 144.41 56.13 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -173.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -68.11 125.59 26.83 Favored 'General case' 0 N--CA 1.443 -0.791 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 171.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.33 171.21 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.188 1.438 . . . . 0.0 115.338 -179.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 mt -128.42 124.39 36.14 Favored 'General case' 0 N--CA 1.422 -1.868 0 N-CA-C 106.32 -1.733 . . . . 0.0 106.32 175.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 40.1 t -91.01 137.55 21.5 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.645 ' C ' HD13 ' C' ' 49' ' ' ILE . 10.1 p90 -151.94 157.82 42.31 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.982 0.896 . . . . 0.0 113.024 175.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.645 HD13 ' C ' ' C' ' 48' ' ' TYR . 0.5 OUTLIER -118.83 131.09 72.63 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.797 0 CA-C-N 113.58 -1.645 . . . . 0.0 108.363 174.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.58 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.383 -0.969 . . . . 0.0 108.383 -178.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . 0.519 ' CB ' ' OH ' ' C' ' 127' ' ' TYR . 0.0 OUTLIER -100.16 122.08 42.43 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.305 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -84.11 171.1 13.18 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.237 177.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -10.53 59.9 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 -170.306 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.69 7.53 14.61 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.031 171.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.78 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.428 1.491 . . . . 0.0 114.808 -177.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 61.4 mt -74.89 149.94 39.33 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-O 122.201 1.001 . . . . 0.0 113.008 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 3.0 mt -102.26 129.11 54.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.143 -177.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.428 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 11.0 m170 -117.62 125.32 50.55 Favored 'General case' 0 CA--C 1.513 -0.46 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . 0.549 ' CE2' HG13 ' C' ' 124' ' ' VAL . 3.4 m-85 -98.78 118.96 36.7 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 171.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 1.8 m -127.63 156.82 41.7 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 -171.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . . . . . . . . . 82.5 t90 -130.51 128.37 41.05 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 113.442 -1.708 . . . . 0.0 108.622 169.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.67 134.31 55.29 Favored 'General case' 0 N--CA 1.444 -0.753 0 CA-C-N 114.022 -1.445 . . . . 0.0 109.775 -176.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 6.9 t0 -74.24 115.32 13.61 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 173.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 2.0 ttt85 -64.01 -32.42 73.96 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 114.622 1.341 . . . . 0.0 114.622 -176.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 55.6 p -72.54 -46.15 55.85 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 -174.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.42 -20.55 21.67 Favored 'General case' 0 C--O 1.216 -0.667 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.578 -176.658 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.66 2.72 61.22 Favored Glycine 0 CA--C 1.531 1.066 0 CA-C-O 119.708 -0.496 . . . . 0.0 113.713 -171.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -72.54 130.05 39.73 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 118.669 1.234 . . . . 0.0 113.107 178.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 1.2 m -84.23 109.11 17.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 173.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -94.48 -28.84 15.25 Favored 'General case' 0 C--O 1.206 -1.222 0 C-N-CA 119.722 -0.791 . . . . 0.0 110.999 -171.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.96 135.54 54.86 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.849 0.833 . . . . 0.0 109.436 177.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -155.05 103.32 2.38 Favored 'General case' 0 CA--C 1.5 -0.976 0 N-CA-C 104.515 -2.402 . . . . 0.0 104.515 -178.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.04 123.25 45.23 Favored 'General case' 0 N--CA 1.436 -1.154 0 CA-C-N 114.285 -1.325 . . . . 0.0 109.236 -174.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . 0.419 ' C ' HD13 ' C' ' 75' ' ' ILE . 1.3 pp -75.86 124.31 33.67 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.401 1.096 . . . . 0.0 111.668 168.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.789 HG21 HD12 ' C' ' 128' ' ' LEU . 3.9 mm -122.98 130.32 74.53 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.395 0 CA-C-N 114.599 -1.182 . . . . 0.0 109.607 -174.386 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -101.25 159.06 30.56 Favored Pre-proline 0 C--O 1.24 0.595 0 O-C-N 124.489 1.118 . . . . 0.0 110.899 173.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -54.36 133.95 58.66 Favored 'Trans proline' 0 CA--C 1.532 0.404 0 C-N-CA 122.916 2.411 . . . . 0.0 111.259 -179.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.51 6.78 5.88 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.638 2.088 . . . . 0.0 116.638 -175.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -70.4 -33.62 71.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 119.038 0.835 . . . . 0.0 109.647 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -154.9 168.22 27.67 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 118.442 -1.303 . . . . 0.0 113.605 -173.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -133.47 139.31 46.6 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.519 -1.673 . . . . 0.0 106.992 -178.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.43 ' HB2' HG11 ' C' ' 124' ' ' VAL . 74.9 t80 -106.71 124.16 49.2 Favored 'General case' 0 N--CA 1.45 -0.472 0 N-CA-C 107.255 -1.387 . . . . 0.0 107.255 177.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 10.7 mttp -148.5 156.5 42.54 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.8 142.86 56.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.043 -0.98 . . . . 0.0 108.379 177.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 t -94.28 98.27 2.83 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 171.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -60.99 -32.0 91.91 Favored 'Trans proline' 0 C--N 1.328 -0.529 0 N-CA-C 117.786 2.187 . . . . 0.0 117.786 -167.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -91.1 8.65 34.48 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.931 -1.508 . . . . 0.0 112.225 -164.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . 0.422 ' SG ' ' O ' ' C' ' 88' ' ' CYS . 25.2 p -85.08 119.72 72.78 Favored Pre-proline 0 CA--C 1.515 -0.381 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 174.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -57.0 -19.81 34.16 Favored 'Trans proline' 0 C--N 1.346 0.443 0 O-C-N 122.982 0.991 . . . . 0.0 114.42 -173.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 88.5 p -65.59 -34.63 78.69 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 118.369 0.532 . . . . 0.0 110.036 178.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.58 12.92 64.88 Favored Glycine 0 CA--C 1.506 -0.511 0 O-C-N 123.989 0.806 . . . . 0.0 111.492 -172.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -120.93 17.1 11.77 Favored 'General case' 0 CA--C 1.513 -0.467 0 N-CA-C 116.32 1.971 . . . . 0.0 116.32 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 31.8 t -97.01 133.41 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.152 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 173.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -125.0 151.79 45.08 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.479 1.737 . . . . 0.0 110.428 178.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 3.0 p -127.02 135.44 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 179.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 1.4 tp -95.58 108.12 20.36 Favored 'General case' 0 C--N 1.317 -0.845 0 N-CA-C 104.848 -2.279 . . . . 0.0 104.848 169.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.21 125.23 52.02 Favored 'General case' 0 CA--C 1.486 -1.509 0 N-CA-C 108.206 -1.035 . . . . 0.0 108.206 -171.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -84.84 115.72 22.9 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.142 0.901 . . . . 0.0 109.205 176.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.46 -25.18 68.15 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.013 -0.994 . . . . 0.0 111.353 -169.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.27 115.23 28.98 Favored 'General case' 0 C--O 1.236 0.347 0 N-CA-C 108.636 -0.875 . . . . 0.0 108.636 173.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . 0.525 ' O ' ' HG3' ' B' ' 42' ' ' ARG . . . 101.85 172.42 27.79 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -91.39 9.0 33.51 Favored 'General case' 0 C--N 1.315 -0.896 0 O-C-N 122.069 -0.665 . . . . 0.0 110.561 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 25.3 tptt -70.59 129.15 38.44 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 117.927 -1.509 . . . . 0.0 110.588 -165.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.02 141.86 46.26 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.919 175.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 3.2 mp -124.62 126.2 45.38 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.815 -1.92 . . . . 0.0 105.815 171.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.92 143.65 30.82 Favored 'General case' 0 N--CA 1.441 -0.885 0 O-C-N 124.698 1.249 . . . . 0.0 110.316 -177.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -137.04 156.72 48.06 Favored 'General case' 0 CA--C 1.509 -0.629 0 CA-C-N 114.502 -1.227 . . . . 0.0 109.297 178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 52.5 p-90 -131.44 126.57 35.4 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.544 -0.862 . . . . 0.0 110.413 175.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 2.5 mmt -62.65 137.81 58.35 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.306 -174.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -118.91 4.05 11.49 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.627 -1.169 . . . . 0.0 110.258 179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -61.3 135.87 93.87 Favored Pre-proline 0 C--O 1.264 1.857 0 CA-C-O 123.118 1.437 . . . . 0.0 108.671 172.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.31 -41.31 42.74 Favored 'Trans proline' 0 C--O 1.247 0.953 0 C-N-CA 117.539 -1.174 . . . . 0.0 112.434 -174.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.12 146.94 24.24 Favored 'General case' 0 C--O 1.22 -0.494 0 CA-C-O 121.148 0.499 . . . . 0.0 110.536 173.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.3 t -83.39 -9.31 59.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.216 178.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -33.81 55.9 Favored 'General case' 0 C--O 1.222 -0.372 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.17 5.79 37.99 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.838 1.051 . . . . 0.0 113.838 -174.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 23.0 p-10 -56.92 -48.74 77.54 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.926 -1.11 . . . . 0.0 110.312 -177.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.83 -32.2 70.49 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.56 -173.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.38 -43.99 80.01 Favored 'General case' 0 CA--C 1.553 1.089 0 CA-C-O 120.868 0.366 . . . . 0.0 110.872 175.509 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.59 -45.87 77.33 Favored 'General case' 0 N--CA 1.477 0.887 0 O-C-N 120.952 -1.093 . . . . 0.0 112.314 173.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -43.05 97.98 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 121.657 0.742 . . . . 0.0 110.291 179.045 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -43.54 98.63 Favored 'General case' 0 C--O 1.241 0.623 0 CA-C-N 115.443 -0.798 . . . . 0.0 109.05 -179.404 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 19.9 mtmt -64.16 -42.33 96.78 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . 0.549 HG13 ' CE2' ' C' ' 59' ' ' PHE . 1.8 t -52.31 -51.91 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 C-N-CA 120.143 -0.623 . . . . 0.0 110.41 175.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -60.37 -39.48 87.41 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 112.95 0.722 . . . . 0.0 112.95 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -46.03 82.19 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.44 -178.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . 0.598 ' HD1' ' HB ' ' C' ' 49' ' ' ILE . 11.7 t80 -79.03 -24.56 43.56 Favored 'General case' 0 C--O 1.216 -0.695 0 C-N-CA 119.436 -0.905 . . . . 0.0 112.405 -174.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.789 HD12 HG21 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -78.96 -36.15 42.02 Favored 'General case' 0 C--O 1.239 0.543 0 C-N-CA 119.765 -0.774 . . . . 0.0 112.278 174.477 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . 0.614 ' HB3' HD23 ' C' ' 128' ' ' LEU . 0.1 OUTLIER -110.69 -11.1 14.45 Favored 'General case' 0 CA--C 1.513 -0.442 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -168.577 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -141.17 71.8 27.44 Favored Pre-proline 0 N--CA 1.468 0.426 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 169.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -82.85 170.59 12.45 Favored 'Trans proline' 0 C--N 1.314 -1.277 0 C-N-CA 121.65 1.566 . . . . 0.0 111.644 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 78.5 Cg_exo . . . . . 0 C--N 1.289 -2.589 0 C-N-CA 122.544 2.162 . . . . 0.0 111.597 179.75 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.549 0.932 0 N-CA-C 106.941 -1.503 . . . . 0.0 106.941 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -91.1 138.23 31.76 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 126.841 2.588 . . . . 0.0 108.858 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.598 HD11 HD22 ' A' ' 15' ' ' LEU . 2.1 pp -131.31 163.01 38.26 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.387 0 N-CA-C 105.58 -2.007 . . . . 0.0 105.58 173.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -115.96 140.16 49.53 Favored 'General case' 0 N--CA 1.513 2.676 1 O-C-N 130.557 4.911 . . . . 0.0 108.773 179.696 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.449 HG13 ' HB ' ' A' ' 13' ' ' ILE . 0.1 OUTLIER -118.03 114.25 44.69 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.753 0 CA-C-O 113.422 -3.18 . . . . 0.0 105.614 175.77 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -95.19 127.5 41.29 Favored 'General case' 0 N--CA 1.504 2.265 1 O-C-N 129.269 4.105 . . . . 0.0 107.96 -178.118 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.62 170.73 8.38 Favored 'General case' 0 C--N 1.353 0.755 0 CA-C-O 117.883 -1.056 . . . . 0.0 109.325 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.413 HD21 ' OD1' ' C' ' 78' ' ' ASP . 0.0 OUTLIER -73.28 -7.0 49.63 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 124.093 0.871 . . . . 0.0 112.653 -177.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 8.8 p -101.58 15.04 30.14 Favored 'General case' 0 N--CA 1.502 2.155 0 C-N-CA 115.634 -2.427 . . . . 0.0 111.945 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.38 16.71 80.14 Favored Glycine 0 C--N 1.297 -1.592 0 O-C-N 120.262 -1.524 . . . . 0.0 116.057 179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 tptm -96.44 138.14 34.47 Favored 'General case' 0 C--N 1.31 -1.112 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 174.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 72.9 p -119.98 131.66 55.24 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 126.608 2.443 . . . . 0.0 105.93 176.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.449 ' HB ' HG13 ' A' ' 5' ' ' VAL . 17.8 mm -109.57 141.93 23.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.687 0 O-C-N 127.637 3.086 . . . . 0.0 108.823 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 12.2 m -101.31 139.64 36.71 Favored 'General case' 0 N--CA 1.494 1.759 0 C-N-CA 117.19 -1.804 . . . . 0.0 108.237 178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -126.38 154.09 44.05 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-O 115.449 -2.215 . . . . 0.0 108.29 -179.215 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -111.86 121.02 43.91 Favored 'General case' 0 N--CA 1.5 2.028 1 O-C-N 129.215 4.072 . . . . 0.0 103.608 173.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.1 m -138.89 170.62 16.01 Favored 'Isoleucine or valine' 0 C--O 1.255 1.387 0 O-C-N 127.589 3.056 . . . . 0.0 111.297 -177.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -119.93 144.5 37.58 Favored Pre-proline 0 C--N 1.315 -0.931 0 CA-C-N 112.423 -2.171 . . . . 0.0 106.342 174.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_exo -54.93 -24.42 39.17 Favored 'Trans proline' 0 C--N 1.321 -0.919 0 C-N-CA 122.553 2.169 . . . . 0.0 111.979 177.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 9.3 p -79.95 -8.25 59.23 Favored 'General case' 0 C--O 1.243 0.761 0 CA-C-O 117.919 -1.039 . . . . 0.0 110.838 -177.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.471 ' OD2' HG12 ' A' ' 26' ' ' VAL . 17.0 p-10 -71.0 148.45 47.62 Favored 'General case' 0 N--CA 1.487 1.385 0 C-N-CA 117.372 -1.731 . . . . 0.0 109.86 -179.016 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.661 ' O ' HG13 ' A' ' 26' ' ' VAL . 0.2 OUTLIER -83.72 160.46 21.28 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 175.808 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.61 ' O ' HG22 ' A' ' 26' ' ' VAL . 21.0 mm -61.39 -37.15 77.04 Favored 'Isoleucine or valine' 0 C--O 1.245 0.852 0 O-C-N 127.17 2.794 . . . . 0.0 110.233 175.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -40.08 78.25 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.317 -0.865 . . . . 0.0 110.813 177.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.32 -41.98 80.03 Favored 'General case' 0 C--O 1.262 1.76 0 O-C-N 121.967 -0.458 . . . . 0.0 110.937 -178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.661 HG13 ' O ' ' A' ' 22' ' ' THR . 0.9 OUTLIER -58.22 -46.4 88.69 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 O-C-N 124.345 1.028 . . . . 0.0 109.226 178.166 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.405 ' N ' ' CG2' ' A' ' 26' ' ' VAL . 84.0 mttt -60.85 -37.95 83.85 Favored 'General case' 0 C--O 1.259 1.585 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.7 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.22 -38.05 87.02 Favored 'General case' 0 C--O 1.277 2.512 0 CA-C-N 118.197 0.453 . . . . 0.0 111.13 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.08 -37.45 87.48 Favored 'General case' 0 C--O 1.255 1.394 0 CA-C-O 123.081 1.42 . . . . 0.0 110.729 176.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 33.8 mt -70.01 -39.59 77.54 Favored 'Isoleucine or valine' 0 C--O 1.251 1.147 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -62.21 -48.73 78.71 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-O 125.547 2.594 . . . . 0.0 109.104 179.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.26 -41.67 65.71 Favored 'General case' 0 C--O 1.253 1.263 0 CA-C-N 113.51 -1.677 . . . . 0.0 111.96 179.004 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.317 10.5 tttt -93.63 -24.33 17.94 Favored 'General case' 0 C--O 1.281 2.75 0 N-CA-C 117.155 2.28 . . . . 0.0 117.155 -175.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -123.3 -6.53 8.24 Favored 'General case' 0 C--N 1.303 -1.436 0 CA-C-N 123.108 2.685 . . . . 0.0 114.276 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.0 5.7 89.97 Favored Glycine 0 CA--C 1.479 -2.209 0 N-CA-C 118.931 2.332 . . . . 0.0 118.931 176.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.454 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 31.3 mt -79.77 124.76 83.29 Favored Pre-proline 0 C--O 1.243 0.716 0 C-N-CA 118.876 -1.129 . . . . 0.0 110.913 179.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 79.8 Cg_exo -56.9 136.84 78.9 Favored 'Trans proline' 0 C--O 1.259 1.571 0 C-N-CA 123.249 2.633 . . . . 0.0 110.827 178.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 37' ' ' PRO . 53.1 Cg_exo -57.1 -32.0 91.99 Favored 'Trans proline' 0 C--O 1.264 1.782 0 O-C-N 123.009 1.005 . . . . 0.0 113.649 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -68.46 -15.33 63.51 Favored 'General case' 0 C--O 1.261 1.692 0 O-C-N 119.806 -1.809 . . . . 0.0 112.247 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -96.11 -10.2 28.88 Favored 'General case' 0 N--CA 1.483 1.176 0 O-C-N 120.689 -1.257 . . . . 0.0 111.954 178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 -84.91 129.59 34.78 Favored 'General case' 0 C--N 1.314 -0.967 0 CA-C-O 124.351 2.024 . . . . 0.0 115.767 -177.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -121.05 116.17 24.53 Favored 'General case' 0 C--O 1.299 3.688 0 N-CA-C 104.933 -2.247 . . . . 0.0 104.933 171.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.8 mt -103.5 130.12 50.81 Favored 'General case' 0 N--CA 1.487 1.396 0 CA-C-N 119.501 1.046 . . . . 0.0 109.968 -177.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.408 HD11 ' HD2' ' C' ' 76' ' ' PHE . 0.9 OUTLIER -122.05 131.92 72.09 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.833 0 O-C-N 125.136 1.522 . . . . 0.0 111.797 -177.465 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.462 ' HZ ' ' HG ' ' A' ' 65' ' ' SER . 10.1 t80 -144.48 129.52 18.53 Favored 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.398 -2.075 . . . . 0.0 105.398 177.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.547 ' H ' ' HE1' ' C' ' 98' ' ' PHE . . . 48.21 46.08 19.87 Favored 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 112.28 -2.236 . . . . 0.0 110.723 177.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.68 21.72 60.98 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 128.653 3.025 . . . . 0.0 117.449 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.424 ' HE3' ' HB3' ' A' ' 46' ' ' ALA . 9.9 mtmt -115.05 142.76 46.21 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 177.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.79 130.3 34.59 Favored 'General case' 0 C--O 1.258 1.527 0 N-CA-C 103.808 -2.664 . . . . 0.0 103.808 174.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.2 mt -79.48 138.05 37.43 Favored 'General case' 0 C--N 1.312 -1.045 0 CA-C-O 117.61 -1.186 . . . . 0.0 110.204 -175.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -101.81 140.12 36.52 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 125.036 1.46 . . . . 0.0 109.996 -177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -47.92 -42.66 27.78 Favored 'General case' 0 C--O 1.263 1.774 0 N-CA-C 120.781 3.622 . . . . 0.0 120.781 -175.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.53 -8.94 85.48 Favored Glycine 0 CA--C 1.491 -1.45 0 N-CA-C 116.204 1.242 . . . . 0.0 116.204 -177.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.7 mtt-85 -85.39 165.35 17.29 Favored 'General case' 0 C--O 1.251 1.174 0 O-C-N 119.858 -1.966 . . . . 0.0 108.017 176.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 34.0 p -104.49 164.81 11.49 Favored 'General case' 0 C--N 1.307 -1.269 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 176.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.524 ' CD2' HD13 ' A' ' 61' ' ' ILE . 26.8 mt -61.5 -36.02 79.33 Favored 'General case' 0 C--O 1.201 -1.453 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 177.243 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 p -64.31 -29.37 70.46 Favored 'General case' 0 C--O 1.267 2.013 0 C-N-CA 117.353 -1.739 . . . . 0.0 112.12 -179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.55 -39.53 70.72 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 122.457 1.122 . . . . 0.0 110.757 179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -90.77 4.63 51.1 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 117.782 -1.104 . . . . 0.0 113.044 179.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.6 m120 58.17 45.14 17.94 Favored 'General case' 0 C--O 1.248 0.988 0 CA-C-N 121.544 1.975 . . . . 0.0 111.193 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.524 HD13 ' CD2' ' A' ' 56' ' ' LEU . 5.0 mt -88.7 116.5 30.47 Favored 'Isoleucine or valine' 0 C--O 1.267 2.021 0 CA-C-O 115.124 -2.37 . . . . 0.0 106.247 175.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.56 169.7 8.38 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 126.111 2.132 . . . . 0.0 109.359 -176.685 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.9 142.94 27.67 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 123.249 1.499 . . . . 0.0 109.145 -176.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' HD22 ' B' ' 8' ' ' LEU . 1.0 OUTLIER 67.0 19.31 10.58 Favored 'General case' 0 C--O 1.254 1.335 0 N-CA-C 117.966 2.58 . . . . 0.0 117.966 179.381 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.462 ' HG ' ' HZ ' ' A' ' 45' ' ' PHE . 1.1 m -71.25 159.58 34.37 Favored 'General case' 0 CA--C 1.547 0.849 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 174.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.588 ' OG1' HD23 ' B' ' 8' ' ' LEU . 0.6 OUTLIER -119.13 126.73 52.3 Favored 'General case' 0 C--N 1.306 -1.314 0 CA-C-O 118.17 -0.919 . . . . 0.0 108.849 175.774 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -103.19 154.59 19.16 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-O 114.769 -2.538 . . . . 0.0 105.686 175.114 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 13.7 t-80 -105.7 135.64 46.76 Favored 'General case' 0 C--N 1.287 -2.151 0 O-C-N 127.342 2.901 . . . . 0.0 105.813 178.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 29.4 tp -106.85 115.87 30.93 Favored 'General case' 0 C--O 1.286 2.984 0 CA-C-O 117.563 -1.208 . . . . 0.0 111.396 176.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t -108.12 139.91 28.55 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.952 0 N-CA-C 103.5 -2.778 . . . . 0.0 103.5 175.041 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 3.1 mp -96.1 138.96 32.97 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.205 0.526 . . . . 0.0 109.82 178.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 18.9 mtm180 -68.7 81.43 0.28 Allowed 'General case' 0 C--N 1.279 -2.497 0 CA-C-O 113.162 -3.304 . . . . 0.0 105.518 178.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -163.71 -71.95 0.04 OUTLIER 'General case' 0 C--N 1.289 -2.035 0 O-C-N 125.921 2.013 . . . . 0.0 109.642 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.53 -38.96 62.63 Favored 'General case' 0 C--O 1.245 0.868 0 CA-C-N 113.686 -1.597 . . . . 0.0 108.876 -179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -110.5 59.89 0.34 Allowed Glycine 0 C--O 1.246 0.891 0 CA-C-N 114.631 -1.168 . . . . 0.0 115.201 -179.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.452 0 N-CA-C 108.274 -1.93 . . . . 0.0 108.274 179.406 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.548 0.886 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -91.0 138.52 31.54 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 127.112 2.758 . . . . 0.0 108.72 178.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.428 ' CG1' ' O ' ' B' ' 65' ' ' SER . 7.8 tt -131.21 163.0 38.25 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.323 0 CA-C-O 115.735 -2.079 . . . . 0.0 105.917 173.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -115.88 140.16 49.51 Favored 'General case' 0 N--CA 1.514 2.74 1 O-C-N 130.669 4.981 . . . . 0.0 108.625 179.784 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.596 ' HA ' ' HG ' ' B' ' 67' ' ' LEU . 0.1 OUTLIER -117.9 114.04 44.11 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 CA-C-O 113.38 -3.2 . . . . 0.0 105.852 175.486 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 9.9 pttt -95.11 127.59 41.28 Favored 'General case' 0 N--CA 1.503 2.188 1 O-C-N 129.228 4.08 . . . . 0.0 108.185 -178.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 68.6 p -99.51 170.88 8.3 Favored 'General case' 0 C--N 1.352 0.703 0 CA-C-O 117.78 -1.105 . . . . 0.0 109.298 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.588 HD23 ' OG1' ' A' ' 66' ' ' THR . 0.0 OUTLIER -73.37 -6.97 49.64 Favored 'General case' 0 N--CA 1.483 1.197 0 O-C-N 124.077 0.861 . . . . 0.0 112.811 -178.357 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -101.28 14.79 30.87 Favored 'General case' 0 N--CA 1.506 2.357 0 C-N-CA 115.652 -2.419 . . . . 0.0 111.909 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.53 16.61 80.09 Favored Glycine 0 C--N 1.295 -1.73 0 O-C-N 120.167 -1.583 . . . . 0.0 115.977 179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -96.21 137.92 34.58 Favored 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 105.553 -2.017 . . . . 0.0 105.553 174.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 30.5 p -119.85 131.84 55.4 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 126.328 2.268 . . . . 0.0 106.254 176.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.46 HG23 HG13 ' B' ' 5' ' ' VAL . 0.1 OUTLIER -109.51 141.8 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 127.726 3.141 . . . . 0.0 109.089 179.796 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . 0.441 ' N ' HD12 ' B' ' 13' ' ' ILE . 9.2 m -101.17 139.94 36.16 Favored 'General case' 0 N--CA 1.496 1.866 0 C-N-CA 117.035 -1.866 . . . . 0.0 108.324 177.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 44.9 mt -126.57 154.06 44.4 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 115.525 -2.179 . . . . 0.0 108.384 -179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.84 121.13 44.21 Favored 'General case' 0 N--CA 1.495 1.776 1 O-C-N 129.172 4.045 . . . . 0.0 103.518 174.094 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . 0.436 HG13 ' N ' ' B' ' 18' ' ' GLU . 0.4 OUTLIER -139.12 170.6 15.8 Favored 'Isoleucine or valine' 0 C--O 1.254 1.325 0 O-C-N 127.936 3.272 . . . . 0.0 111.217 -177.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . 0.436 ' N ' HG13 ' B' ' 17' ' ' VAL . 1.6 mp0 -119.96 144.51 37.65 Favored Pre-proline 0 C--N 1.312 -1.026 0 CA-C-N 112.112 -2.313 . . . . 0.0 106.426 174.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -54.83 -24.66 39.5 Favored 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 122.697 2.264 . . . . 0.0 111.562 177.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 58.3 p -79.93 -8.28 59.24 Favored 'General case' 0 C--O 1.242 0.679 0 CA-C-O 118.116 -0.945 . . . . 0.0 110.911 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.91 148.44 47.75 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 117.287 -1.765 . . . . 0.0 109.817 -179.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.79 160.58 21.19 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 175.778 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 1.252 HG21 ' O ' ' B' ' 51' ' ' GLU . 0.1 OUTLIER -61.41 -36.81 75.48 Favored 'Isoleucine or valine' 0 C--O 1.239 0.52 0 O-C-N 126.928 2.643 . . . . 0.0 110.413 175.815 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.15 -42.84 77.61 Favored 'General case' 0 C--O 1.252 1.235 0 O-C-N 120.399 -1.438 . . . . 0.0 111.002 176.292 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -64.59 -44.5 90.42 Favored 'General case' 0 C--O 1.25 1.13 0 C-N-CA 124.191 0.996 . . . . 0.0 111.322 -179.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.6 -46.22 90.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 O-C-N 124.805 1.316 . . . . 0.0 109.046 178.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -60.76 -37.96 83.6 Favored 'General case' 0 C--O 1.256 1.444 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.871 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.32 -38.02 86.73 Favored 'General case' 0 C--O 1.277 2.536 0 O-C-N 123.319 0.387 . . . . 0.0 111.297 176.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -64.01 -37.46 87.51 Favored 'General case' 0 C--O 1.254 1.335 0 CA-C-O 122.97 1.366 . . . . 0.0 110.833 175.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.448 HD13 ' CD1' ' B' ' 69' ' ' LEU . 0.4 OUTLIER -69.68 -39.71 78.44 Favored 'Isoleucine or valine' 0 C--O 1.253 1.269 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -62.02 -48.86 78.41 Favored 'General case' 0 N--CA 1.499 1.991 0 CA-C-O 125.518 2.58 . . . . 0.0 108.959 179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.36 -41.81 66.21 Favored 'General case' 0 C--O 1.257 1.484 0 CA-C-N 113.617 -1.629 . . . . 0.0 111.862 179.18 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.324 0.0 OUTLIER -93.4 -24.35 18.1 Favored 'General case' 0 C--O 1.28 2.704 0 N-CA-C 117.189 2.292 . . . . 0.0 117.189 -175.842 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -123.66 -6.38 8.04 Favored 'General case' 0 C--N 1.305 -1.333 0 CA-C-N 122.927 2.603 . . . . 0.0 113.771 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.07 5.6 90.01 Favored Glycine 0 CA--C 1.477 -2.301 0 N-CA-C 118.693 2.237 . . . . 0.0 118.693 176.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.498 ' HA ' ' HD3' ' B' ' 37' ' ' PRO . 12.4 mm -79.8 125.15 82.83 Favored Pre-proline 0 C--O 1.243 0.731 0 C-N-CA 118.64 -1.224 . . . . 0.0 111.111 179.621 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.498 ' HD3' ' HA ' ' B' ' 36' ' ' ILE . 82.2 Cg_exo -57.23 137.0 79.76 Favored 'Trans proline' 0 C--O 1.256 1.393 0 C-N-CA 122.961 2.441 . . . . 0.0 110.885 178.237 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 52.9 Cg_exo -57.11 -32.41 93.23 Favored 'Trans proline' 0 C--O 1.262 1.677 0 O-C-N 123.066 1.035 . . . . 0.0 113.33 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.19 -15.51 63.61 Favored 'General case' 0 C--O 1.265 1.901 0 O-C-N 120.049 -1.657 . . . . 0.0 112.271 -177.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.662 ' HB3' HD21 ' B' ' 71' ' ' LEU . 14.7 mt-30 -95.57 -10.57 29.21 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 120.483 -1.386 . . . . 0.0 112.176 178.458 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -84.84 129.59 34.79 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-O 124.18 1.943 . . . . 0.0 115.742 -177.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -121.08 116.09 24.35 Favored 'General case' 0 C--O 1.298 3.641 0 N-CA-C 104.871 -2.27 . . . . 0.0 104.871 172.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 7.6 mt -103.6 130.3 51.01 Favored 'General case' 0 N--CA 1.485 1.283 0 CA-C-N 119.504 1.047 . . . . 0.0 109.927 -177.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.509 ' C ' ' CD2' ' B' ' 45' ' ' PHE . 4.3 mp -122.07 131.59 72.81 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.746 0 O-C-N 125.149 1.531 . . . . 0.0 111.982 -177.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . 0.729 ' N ' ' CD2' ' B' ' 45' ' ' PHE . 0.0 OUTLIER -144.17 129.8 19.14 Favored 'General case' 0 C--N 1.359 0.986 0 N-CA-C 105.354 -2.091 . . . . 0.0 105.354 177.453 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.14 45.9 19.64 Favored 'General case' 0 N--CA 1.481 1.124 0 CA-C-N 111.981 -2.372 . . . . 0.0 110.66 177.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 62.01 20.09 59.79 Favored Glycine 0 C--N 1.299 -1.502 0 C-N-CA 128.151 2.786 . . . . 0.0 117.355 -179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.89 143.83 39.25 Favored 'General case' 0 C--N 1.306 -1.318 0 CA-C-O 115.342 -2.266 . . . . 0.0 110.94 174.242 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -87.09 130.34 34.54 Favored 'General case' 0 C--N 1.28 -2.443 0 N-CA-C 103.961 -2.607 . . . . 0.0 103.961 173.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.586 ' HB2' ' CE2' ' B' ' 45' ' ' PHE . 36.0 tp -79.59 138.34 37.41 Favored 'General case' 0 C--N 1.311 -1.108 0 CA-C-O 117.553 -1.213 . . . . 0.0 110.112 -175.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . 1.252 ' O ' HG21 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -101.82 140.02 36.67 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 125.23 1.581 . . . . 0.0 110.022 -177.697 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.903 ' HA ' HG12 ' B' ' 23' ' ' ILE . 0.0 OUTLIER -48.3 -42.09 29.97 Favored 'General case' 0 C--O 1.261 1.71 0 N-CA-C 120.769 3.618 . . . . 0.0 120.769 -175.724 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.17 -8.48 85.39 Favored Glycine 0 CA--C 1.493 -1.319 0 N-CA-C 116.0 1.16 . . . . 0.0 116.0 -177.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . 0.807 ' O ' HG22 ' B' ' 23' ' ' ILE . 0.9 OUTLIER -85.63 165.36 17.08 Favored 'General case' 0 C--O 1.251 1.155 0 O-C-N 120.133 -1.804 . . . . 0.0 107.973 176.394 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.444 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 23.5 p -104.47 164.57 11.65 Favored 'General case' 0 C--N 1.312 -1.051 0 N-CA-C 106.665 -1.605 . . . . 0.0 106.665 177.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -36.4 79.62 Favored 'General case' 0 C--O 1.201 -1.459 0 N-CA-C 108.066 -1.087 . . . . 0.0 108.066 177.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 79.3 p -63.7 -29.66 70.86 Favored 'General case' 0 C--O 1.267 1.982 0 C-N-CA 117.321 -1.752 . . . . 0.0 112.174 -179.395 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -55.76 -38.99 70.57 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 122.562 1.172 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.578 ' HB3' HD11 ' B' ' 61' ' ' ILE . 4.0 m-85 -91.11 4.48 52.07 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 117.537 -1.221 . . . . 0.0 112.873 179.158 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 57.94 45.43 18.22 Favored 'General case' 0 C--N 1.313 -1.003 0 CA-C-N 121.758 2.072 . . . . 0.0 111.244 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.578 HD11 ' HB3' ' B' ' 59' ' ' TYR . 14.8 mm -88.8 116.25 30.11 Favored 'Isoleucine or valine' 0 C--O 1.27 2.157 0 CA-C-O 115.122 -2.371 . . . . 0.0 106.263 175.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.38 169.63 8.43 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 126.103 2.127 . . . . 0.0 109.673 -176.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.0 142.87 28.42 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 123.102 1.429 . . . . 0.0 109.246 -176.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 67.05 19.17 10.54 Favored 'General case' 0 C--O 1.255 1.373 0 N-CA-C 117.834 2.531 . . . . 0.0 117.834 179.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . 0.428 ' O ' ' CG1' ' B' ' 3' ' ' ILE . 1.9 t -71.2 159.66 34.25 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 107.205 -1.406 . . . . 0.0 107.205 174.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 1.4 m -119.1 126.61 52.04 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-O 118.21 -0.9 . . . . 0.0 108.828 175.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . 0.596 ' HG ' ' HA ' ' B' ' 5' ' ' VAL . 3.3 pp -103.16 154.54 19.2 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 114.737 -2.554 . . . . 0.0 105.702 175.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.407 ' C ' HD12 ' B' ' 67' ' ' LEU . 3.3 m80 -105.56 135.91 46.11 Favored 'General case' 0 C--N 1.283 -2.291 0 O-C-N 127.608 3.067 . . . . 0.0 105.691 177.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . 0.448 ' CD1' HD13 ' B' ' 30' ' ' ILE . 0.5 OUTLIER -107.17 115.82 30.84 Favored 'General case' 0 C--O 1.284 2.884 0 CA-C-O 117.551 -1.214 . . . . 0.0 111.459 176.574 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . . . . . . . . . 87.3 t -108.17 139.81 29.02 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 N-CA-C 103.437 -2.801 . . . . 0.0 103.437 175.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.662 HD21 ' HB3' ' B' ' 40' ' ' GLN . 0.4 OUTLIER -95.97 -83.51 0.37 Allowed 'General case' 0 N--CA 1.478 0.967 0 CA-C-O 121.072 0.463 . . . . 0.0 109.814 178.374 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . . . . . . . . . 45.1 ttp85 166.55 -78.49 0.0 OUTLIER 'General case' 0 C--N 1.277 -2.574 0 CA-C-O 113.432 -3.175 . . . . 0.0 105.529 179.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 7.8 mp 47.69 72.02 0.29 Allowed 'General case' 0 C--N 1.293 -1.854 0 O-C-N 125.669 1.856 . . . . 0.0 109.726 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 177.36 -176.52 0.16 Allowed 'General case' 0 C--O 1.243 0.715 0 CA-C-N 113.882 -1.508 . . . . 0.0 108.766 -179.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -171.34 31.96 0.13 Allowed Glycine 0 C--O 1.244 0.775 0 CA-C-N 114.824 -1.08 . . . . 0.0 115.194 -178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.519 0 CA-C-O 116.546 -2.252 . . . . 0.0 108.317 178.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.512 -0.504 0 CA-C-O 121.94 0.876 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 2.8 t30 58.32 82.52 0.13 Allowed 'General case' 0 C--N 1.289 -2.04 0 O-C-N 119.091 -2.256 . . . . 0.0 110.971 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.34 160.42 38.79 Favored 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 126.859 2.064 . . . . 0.0 110.708 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 22.7 m-30 -89.12 137.93 31.88 Favored 'General case' 0 N--CA 1.445 -0.675 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.589 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 58.7 mt -70.19 -39.65 75.09 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-O 121.635 0.731 . . . . 0.0 111.8 172.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 1.9 t -144.36 136.02 21.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.209 1.404 . . . . 0.0 107.47 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -144.26 148.08 34.4 Favored 'General case' 0 CA--C 1.515 -0.382 0 C-N-CA 119.67 -0.812 . . . . 0.0 110.557 165.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 40.7 p90 -161.03 155.22 22.87 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.243 0.964 . . . . 0.0 111.198 173.124 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.29 127.79 33.65 Favored 'General case' 0 C--O 1.254 1.294 0 CA-C-N 114.267 -1.333 . . . . 0.0 112.351 178.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.14 147.63 6.76 Favored 'General case' 0 C--O 1.252 1.207 0 CA-C-O 122.062 0.934 . . . . 0.0 110.098 179.218 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.92 164.82 25.21 Favored Glycine 0 N--CA 1.445 -0.716 0 N-CA-C 108.301 -1.92 . . . . 0.0 108.301 175.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.08 -179.25 3.8 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 178.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . 0.757 ' HG3' ' HA ' ' C' ' 40' ' ' PRO . 1.5 mpt? -137.12 161.02 37.26 Favored 'General case' 0 N--CA 1.44 -0.974 0 N-CA-C 107.457 -1.312 . . . . 0.0 107.457 174.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . 0.591 ' O ' HG22 ' C' ' 39' ' ' THR . 0.5 OUTLIER -136.66 156.56 48.37 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.079 -1.448 . . . . 0.0 108.743 177.383 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.75 116.18 28.79 Favored 'General case' 0 N--CA 1.437 -1.094 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -112.4 115.85 29.37 Favored 'General case' 0 C--O 1.237 0.428 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 172.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.29 -116.04 8.6 Favored Glycine 0 N--CA 1.446 -0.681 0 N-CA-C 108.337 -1.905 . . . . 0.0 108.337 -169.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.01 14.6 18.43 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-N 115.383 -0.409 . . . . 0.0 109.995 177.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 60.0 m -112.02 122.47 47.86 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -172.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 91.1 t -76.05 120.02 25.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 N-CA-C 107.142 -1.429 . . . . 0.0 107.142 174.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . 0.591 HG22 ' O ' ' C' ' 32' ' ' SER . 1.2 t -124.09 119.29 26.55 Favored Pre-proline 0 C--O 1.245 0.852 0 C-N-CA 122.522 0.329 . . . . 0.0 110.193 -173.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . 0.757 ' HA ' ' HG3' ' C' ' 31' ' ' MET . 31.8 Cg_exo -59.84 134.76 59.06 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 CA-C-O 122.348 0.895 . . . . 0.0 111.865 173.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -85.68 132.19 34.2 Favored 'General case' 0 C--N 1.318 -0.804 0 N-CA-C 105.381 -2.081 . . . . 0.0 105.381 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -80.97 -11.26 59.6 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 -172.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.97 144.41 56.23 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 -173.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -68.18 125.58 26.84 Favored 'General case' 0 N--CA 1.444 -0.765 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 171.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . 0.448 ' HA3' ' CZ3' ' C' ' 61' ' ' TRP . . . -132.38 171.24 21.59 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.173 1.429 . . . . 0.0 115.377 -179.084 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 14.5 tp -128.38 124.36 36.15 Favored 'General case' 0 N--CA 1.422 -1.848 0 N-CA-C 106.323 -1.732 . . . . 0.0 106.323 175.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 45.5 t -90.96 137.55 21.49 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.108 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 164.619 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.506 ' O ' HD13 ' C' ' 49' ' ' ILE . 19.0 p90 -151.9 157.73 42.22 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.973 0.892 . . . . 0.0 113.015 175.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.506 HD13 ' O ' ' C' ' 48' ' ' TYR . 5.5 mm -118.76 131.1 72.53 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.693 0 CA-C-N 113.568 -1.651 . . . . 0.0 108.349 174.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -134.02 137.69 44.88 Favored 'General case' 0 CA--C 1.493 -1.215 0 N-CA-C 108.315 -0.994 . . . . 0.0 108.315 -178.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -100.2 122.01 42.35 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 170.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 57.0 p -84.03 171.12 13.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.307 177.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -71.46 -10.55 59.95 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -82.63 7.36 14.92 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 121.275 -0.17 . . . . 0.0 110.981 171.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 33.9 t 73.87 -1.31 3.1 Favored 'General case' 0 CA--C 1.535 0.383 0 C-N-CA 125.417 1.487 . . . . 0.0 114.808 -177.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 31.3 mt -74.96 150.02 39.18 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 119.172 -1.011 . . . . 0.0 113.048 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 1.8 mp -102.25 129.1 54.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.071 -0.968 . . . . 0.0 109.145 -177.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.43 ' O ' ' HA ' ' C' ' 49' ' ' ILE . 7.3 m-70 -117.66 125.26 50.4 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -176.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -98.69 118.96 36.58 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 106.791 -1.559 . . . . 0.0 106.791 171.191 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 39.7 m -127.66 156.84 41.71 Favored 'General case' 0 C--O 1.239 0.541 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -171.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . 0.508 ' CD1' ' O ' ' C' ' 61' ' ' TRP . 0.0 OUTLIER -130.47 128.21 40.79 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.587 -1.642 . . . . 0.0 108.745 169.284 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.6 134.33 55.29 Favored 'General case' 0 N--CA 1.443 -0.779 0 CA-C-N 114.097 -1.41 . . . . 0.0 109.804 -176.348 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -74.18 115.27 13.48 Favored 'General case' 0 N--CA 1.445 -0.699 0 N-CA-C 107.781 -1.192 . . . . 0.0 107.781 173.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 35.1 mtp180 -63.94 -32.49 74.05 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 114.626 1.343 . . . . 0.0 114.626 -176.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . 0.465 HG23 ' N ' ' C' ' 66' ' ' SER . 5.2 t -72.45 -46.17 56.18 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 -175.043 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . 0.465 ' N ' HG23 ' C' ' 65' ' ' THR . 0.1 OUTLIER -91.43 -20.54 21.68 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.497 -176.629 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.64 2.6 60.85 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.668 -0.518 . . . . 0.0 113.677 -171.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.44 130.0 39.66 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.724 1.262 . . . . 0.0 113.194 178.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . . . . . . . . . 17.6 t -84.18 109.16 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -94.45 -28.92 15.22 Favored 'General case' 0 C--O 1.206 -1.232 0 C-N-CA 119.73 -0.788 . . . . 0.0 110.98 -171.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -121.95 135.54 54.87 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-O 121.778 0.799 . . . . 0.0 109.413 177.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -154.98 103.32 2.39 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 104.538 -2.393 . . . . 0.0 104.538 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 2.9 tp -118.04 123.28 45.28 Favored 'General case' 0 N--CA 1.435 -1.175 0 CA-C-N 114.414 -1.266 . . . . 0.0 109.287 -174.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . . . . . . . . . 1.5 mt -75.89 124.28 33.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 122.392 1.091 . . . . 0.0 111.715 168.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -122.99 130.31 74.54 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.401 0 CA-C-N 114.623 -1.171 . . . . 0.0 109.635 -174.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . 0.431 ' O ' ' HB3' ' C' ' 79' ' ' ASP . 8.6 m-85 -101.26 158.93 30.86 Favored Pre-proline 0 C--O 1.241 0.605 0 O-C-N 124.321 1.013 . . . . 0.0 110.885 173.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.25 133.86 57.87 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.962 2.441 . . . . 0.0 111.31 -179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . 0.413 ' OD1' HD21 ' A' ' 8' ' ' LEU . 0.0 OUTLIER 69.55 6.74 5.86 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 116.719 2.118 . . . . 0.0 116.719 -175.69 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . 0.599 ' O ' ' CD2' ' C' ' 98' ' ' PHE . 0.0 OUTLIER -70.4 -33.63 71.6 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 118.975 0.807 . . . . 0.0 109.558 176.863 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.406 ' HB2' ' O ' ' C' ' 97' ' ' LYS . 1.7 p -154.86 168.2 27.72 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.651 -173.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 35.1 mp0 -133.43 139.34 46.67 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 113.534 -1.666 . . . . 0.0 106.998 -178.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -106.75 124.14 49.18 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.24 -1.392 . . . . 0.0 107.24 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 42.9 mttp -148.5 156.47 42.49 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 114.776 1.399 . . . . 0.0 114.776 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 16.9 ttp180 -67.75 142.81 56.14 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.028 -0.987 . . . . 0.0 108.416 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 73.6 t -94.22 98.43 2.91 Favored Pre-proline 0 C--N 1.32 -0.712 0 N-CA-C 106.219 -1.771 . . . . 0.0 106.219 171.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_endo -61.12 -31.96 90.97 Favored 'Trans proline' 0 N--CA 1.476 0.478 0 N-CA-C 117.747 2.172 . . . . 0.0 117.747 -167.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -91.07 8.66 34.36 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 117.915 -1.514 . . . . 0.0 112.202 -164.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -85.14 119.63 72.64 Favored Pre-proline 0 CA--C 1.515 -0.376 0 N-CA-C 109.36 -0.608 . . . . 0.0 109.36 174.513 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -56.91 -19.88 33.85 Favored 'Trans proline' 0 C--N 1.347 0.462 0 O-C-N 123.005 1.003 . . . . 0.0 114.456 -173.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.5 -34.66 78.79 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 118.378 0.535 . . . . 0.0 110.071 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.5 13.04 64.87 Favored Glycine 0 CA--C 1.505 -0.549 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.528 -172.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 1.2 mtt-85 -120.99 17.08 11.72 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 70.1 t -97.05 133.38 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.19 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 173.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . . . . . . . . . 46.5 m-85 -124.97 151.79 45.03 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 125.463 1.727 . . . . 0.0 110.398 178.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . . . . . . . . . 1.6 m -127.02 135.44 63.62 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.838 0 N-CA-C 108.947 -0.761 . . . . 0.0 108.947 179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 tt -95.47 108.08 20.28 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 169.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . 0.406 ' O ' ' HB2' ' C' ' 80' ' ' CYS . 0.0 OUTLIER -109.17 125.16 51.91 Favored 'General case' 0 CA--C 1.486 -1.496 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 -171.143 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.777 ' CD1' ' O ' ' C' ' 100' ' ' ALA . 11.8 t80 -84.85 115.66 22.87 Favored 'General case' 0 C--O 1.24 0.59 0 O-C-N 124.154 0.909 . . . . 0.0 109.209 176.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -63.43 -25.07 68.11 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.969 -1.014 . . . . 0.0 111.432 -169.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . 0.777 ' O ' ' CD1' ' C' ' 98' ' ' PHE . . . -111.33 115.13 28.78 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 173.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . . . . . . . . . . . 101.92 172.39 27.7 Favored Glycine 0 N--CA 1.448 -0.525 0 N-CA-C 110.651 -0.98 . . . . 0.0 110.651 -172.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 20.3 m -91.38 9.08 33.13 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.026 -0.69 . . . . 0.0 110.551 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -70.66 129.17 38.47 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 117.935 -1.506 . . . . 0.0 110.56 -165.046 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.06 141.73 46.17 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.938 175.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -124.5 126.21 45.49 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.852 -1.907 . . . . 0.0 105.852 171.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . 0.439 ' C ' ' SD ' ' C' ' 31' ' ' MET . 2.2 m-85 -100.94 143.68 30.79 Favored 'General case' 0 N--CA 1.441 -0.914 0 O-C-N 124.698 1.249 . . . . 0.0 110.281 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -137.09 156.68 48.08 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.27 178.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -131.48 126.53 35.24 Favored 'General case' 0 N--CA 1.42 -1.966 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.408 175.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.6 137.74 58.33 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.272 -174.705 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 -118.89 3.99 11.51 Favored 'General case' 0 N--CA 1.428 -1.539 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.256 179.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -61.19 135.87 93.69 Favored Pre-proline 0 C--O 1.266 1.925 0 CA-C-O 123.117 1.436 . . . . 0.0 108.703 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -61.32 -41.34 42.48 Favored 'Trans proline' 0 C--O 1.245 0.851 0 C-N-CA 117.561 -1.16 . . . . 0.0 112.44 -174.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.11 146.92 24.26 Favored 'General case' 0 C--O 1.22 -0.495 0 CA-C-O 121.186 0.517 . . . . 0.0 110.49 173.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 6.7 t -83.39 -9.31 59.12 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.216 178.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -53.53 -33.81 55.9 Favored 'General case' 0 C--O 1.221 -0.437 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -169.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -103.24 5.82 37.8 Favored 'General case' 0 C--O 1.223 -0.296 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 -174.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 22.5 p-10 -56.8 -48.86 76.99 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.309 -177.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.75 -32.27 70.71 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 119.306 -0.958 . . . . 0.0 110.556 -173.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.25 -44.08 80.3 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-O 120.877 0.37 . . . . 0.0 110.898 175.468 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 -55.58 -45.88 77.31 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.025 -1.047 . . . . 0.0 112.355 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -60.58 -43.04 97.8 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 121.677 0.751 . . . . 0.0 110.352 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -43.44 98.84 Favored 'General case' 0 C--O 1.242 0.692 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.086 -179.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -64.23 -42.37 96.59 Favored 'General case' 0 C--O 1.244 0.815 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . . . . . . . . . 40.9 t -52.23 -51.9 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 120.133 -0.627 . . . . 0.0 110.452 175.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . 0.518 ' HA ' HD23 ' C' ' 128' ' ' LEU . 22.7 m-20 -60.41 -39.5 87.62 Favored 'General case' 0 N--CA 1.446 -0.64 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.24 -46.1 81.94 Favored 'General case' 0 CA--C 1.514 -0.421 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.437 -178.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -78.95 -24.45 43.91 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.495 -0.882 . . . . 0.0 112.44 -174.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' C' ' 125' ' ' ASN . 0.4 OUTLIER -79.0 -36.18 41.67 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 119.796 -0.761 . . . . 0.0 112.243 174.429 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . 0.465 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 38.1 t30 -110.71 -11.12 14.44 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -168.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 33.9 m-80 -141.23 71.92 27.1 Favored Pre-proline 0 N--CA 1.468 0.456 0 N-CA-C 113.51 0.93 . . . . 0.0 113.51 169.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -78.98 167.88 21.44 Favored 'Trans proline' 0 C--N 1.313 -1.304 0 C-N-CA 121.677 1.585 . . . . 0.0 111.631 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 C--N 1.291 -2.489 0 C-N-CA 122.498 2.132 . . . . 0.0 111.608 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.7 mmt . . . . . 0 CA--C 1.548 0.884 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -91.12 138.22 31.77 Favored 'General case' 0 C--O 1.264 1.846 0 O-C-N 126.775 2.547 . . . . 0.0 108.865 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.0 pp -131.25 163.05 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.56 1.361 0 N-CA-C 105.514 -2.032 . . . . 0.0 105.514 173.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.483 ' CE1' HG22 ' A' ' 14' ' ' THR . 0.3 OUTLIER -115.98 140.22 49.47 Favored 'General case' 0 N--CA 1.513 2.697 1 O-C-N 130.564 4.915 . . . . 0.0 108.75 179.688 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 47.9 t -118.09 114.21 44.53 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 CA-C-O 113.35 -3.214 . . . . 0.0 105.61 175.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.3 tptm -95.11 127.55 41.26 Favored 'General case' 0 N--CA 1.506 2.369 1 O-C-N 129.408 4.192 . . . . 0.0 107.906 -178.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 39.3 p -99.61 170.79 8.34 Favored 'General case' 0 C--N 1.353 0.733 0 CA-C-O 117.821 -1.085 . . . . 0.0 109.369 179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.31 -7.04 49.87 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 124.144 0.902 . . . . 0.0 112.701 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 15.0 t -101.54 15.05 30.1 Favored 'General case' 0 N--CA 1.502 2.135 0 C-N-CA 115.654 -2.418 . . . . 0.0 111.998 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.26 16.81 80.16 Favored Glycine 0 C--N 1.296 -1.647 0 O-C-N 120.35 -1.469 . . . . 0.0 116.081 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.52 138.1 34.6 Favored 'General case' 0 C--N 1.31 -1.147 0 N-CA-C 105.289 -2.115 . . . . 0.0 105.289 174.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.99 131.58 55.2 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 126.652 2.47 . . . . 0.0 105.907 176.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.1 mp -109.5 142.03 23.15 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 127.653 3.096 . . . . 0.0 108.911 179.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.483 HG22 ' CE1' ' A' ' 4' ' ' PHE . 1.2 p -101.41 139.74 36.66 Favored 'General case' 0 N--CA 1.494 1.755 0 C-N-CA 117.157 -1.817 . . . . 0.0 108.188 178.187 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD21 HD13 ' A' ' 30' ' ' ILE . 0.3 OUTLIER -126.49 154.03 44.32 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 115.408 -2.234 . . . . 0.0 108.245 -179.149 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -111.82 120.97 43.76 Favored 'General case' 0 N--CA 1.499 2.005 1 O-C-N 129.28 4.112 . . . . 0.0 103.781 173.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -138.9 170.69 15.91 Favored 'Isoleucine or valine' 0 C--O 1.254 1.331 0 O-C-N 127.634 3.083 . . . . 0.0 111.111 -177.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.98 144.43 37.51 Favored Pre-proline 0 C--N 1.314 -0.944 0 CA-C-N 112.317 -2.22 . . . . 0.0 106.328 174.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -55.0 -24.28 39.0 Favored 'Trans proline' 0 C--N 1.32 -0.974 0 C-N-CA 122.537 2.158 . . . . 0.0 111.973 177.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 60.6 p -80.04 -8.17 59.23 Favored 'General case' 0 C--O 1.243 0.737 0 CA-C-O 118.005 -0.998 . . . . 0.0 110.925 -177.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -71.09 148.5 47.42 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 117.392 -1.723 . . . . 0.0 109.722 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 55' ' ' THR . 0.0 OUTLIER -83.73 160.48 21.27 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 175.81 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 1.252 HG21 ' O ' ' A' ' 51' ' ' GLU . 0.1 OUTLIER -61.43 -37.13 77.02 Favored 'Isoleucine or valine' 0 C--O 1.246 0.887 0 O-C-N 127.172 2.795 . . . . 0.0 110.272 175.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.58 -40.19 78.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.363 -0.835 . . . . 0.0 110.706 177.005 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -68.29 -41.92 80.24 Favored 'General case' 0 C--O 1.262 1.762 0 O-C-N 121.809 -0.557 . . . . 0.0 110.949 -178.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.4 t -58.27 -46.39 88.89 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 O-C-N 124.425 1.078 . . . . 0.0 109.173 178.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.818 ' O ' ' NE2' ' A' ' 31' ' ' GLN . 19.4 mtmt -60.92 -37.96 84.11 Favored 'General case' 0 C--O 1.26 1.625 0 CA-C-O 118.806 -0.616 . . . . 0.0 110.577 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.623 ' HA ' ' HG2' ' A' ' 31' ' ' GLN . . . -66.08 -38.17 87.61 Favored 'General case' 0 C--O 1.276 2.499 0 CA-C-N 118.227 0.467 . . . . 0.0 111.125 176.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.11 -37.48 87.58 Favored 'General case' 0 C--O 1.255 1.343 0 O-C-N 120.438 -1.414 . . . . 0.0 110.676 176.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.416 HD13 HD21 ' A' ' 15' ' ' LEU . 15.6 mm -69.96 -39.56 77.63 Favored 'Isoleucine or valine' 0 C--O 1.25 1.13 0 N-CA-C 106.684 -1.599 . . . . 0.0 106.684 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 1.193 ' OE1' ' O ' ' A' ' 36' ' ' ILE . 0.4 OUTLIER -62.25 -48.68 78.86 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 125.498 2.57 . . . . 0.0 109.101 179.597 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.28 -41.78 65.92 Favored 'General case' 0 C--O 1.254 1.302 0 CA-C-N 113.491 -1.686 . . . . 0.0 111.891 179.01 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . 0.314 0.1 OUTLIER -93.59 -24.21 18.02 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 -175.803 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -123.47 -6.41 8.15 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 123.147 2.703 . . . . 0.0 114.241 179.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.01 5.7 89.97 Favored Glycine 0 CA--C 1.478 -2.27 0 N-CA-C 118.899 2.32 . . . . 0.0 118.899 176.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.193 ' O ' ' OE1' ' A' ' 31' ' ' GLN . 16.8 mm -79.78 124.76 83.27 Favored Pre-proline 0 C--O 1.244 0.807 0 C-N-CA 118.837 -1.145 . . . . 0.0 110.97 179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 36' ' ' ILE . 81.8 Cg_exo -56.94 136.84 79.0 Favored 'Trans proline' 0 C--O 1.258 1.513 0 C-N-CA 123.287 2.658 . . . . 0.0 110.863 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.785 ' HG3' ' HG3' ' A' ' 31' ' ' GLN . 27.2 Cg_exo -57.13 -31.94 91.91 Favored 'Trans proline' 0 C--O 1.262 1.724 0 O-C-N 122.993 0.996 . . . . 0.0 113.676 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -68.53 -15.29 63.49 Favored 'General case' 0 C--O 1.263 1.782 0 O-C-N 119.959 -1.713 . . . . 0.0 112.226 -177.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.93 -10.37 28.89 Favored 'General case' 0 N--CA 1.483 1.202 0 O-C-N 120.674 -1.266 . . . . 0.0 112.059 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -84.81 129.55 34.8 Favored 'General case' 0 C--N 1.315 -0.931 0 CA-C-O 124.378 2.037 . . . . 0.0 115.711 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.421 ' HB2' HG13 ' A' ' 70' ' ' VAL . 7.3 mtp180 -120.97 116.1 24.44 Favored 'General case' 0 C--O 1.3 3.717 0 N-CA-C 105.024 -2.213 . . . . 0.0 105.024 171.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 6.2 mp -103.51 130.2 50.85 Favored 'General case' 0 N--CA 1.487 1.413 0 CA-C-N 119.496 1.043 . . . . 0.0 109.908 -177.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.598 ' O ' HG13 ' A' ' 44' ' ' ILE . 0.5 OUTLIER -122.04 131.85 72.24 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.873 0 O-C-N 125.199 1.562 . . . . 0.0 111.861 -177.532 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . 0.493 ' N ' HD12 ' A' ' 44' ' ' ILE . 9.8 t80 -144.43 129.62 18.68 Favored 'General case' 0 C--N 1.361 1.075 0 N-CA-C 105.35 -2.092 . . . . 0.0 105.35 177.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.1 46.06 19.51 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 112.2 -2.273 . . . . 0.0 110.778 177.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.73 21.66 61.0 Favored Glycine 0 N--CA 1.432 -1.591 0 C-N-CA 128.596 2.998 . . . . 0.0 117.462 -179.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.3 mtmm -115.02 142.76 46.19 Favored 'General case' 0 C--N 1.306 -1.313 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 177.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -85.78 130.35 34.58 Favored 'General case' 0 C--O 1.257 1.483 0 N-CA-C 103.771 -2.677 . . . . 0.0 103.771 174.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.63 138.13 37.32 Favored 'General case' 0 C--N 1.314 -0.963 0 CA-C-O 117.587 -1.197 . . . . 0.0 110.118 -175.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 1.252 ' O ' HG21 ' A' ' 23' ' ' ILE . 33.9 mm-40 -101.77 140.08 36.53 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 125.158 1.536 . . . . 0.0 110.017 -177.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.822 ' O ' HG23 ' A' ' 23' ' ' ILE . 0.0 OUTLIER -47.93 -42.57 27.6 Favored 'General case' 0 C--O 1.264 1.831 0 N-CA-C 120.792 3.627 . . . . 0.0 120.792 -175.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -82.55 -8.92 85.48 Favored Glycine 0 CA--C 1.489 -1.56 0 N-CA-C 116.272 1.269 . . . . 0.0 116.272 -177.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.8 ' O ' HG22 ' A' ' 23' ' ' ILE . 2.6 mmt85 -85.45 165.34 17.25 Favored 'General case' 0 C--O 1.25 1.101 0 O-C-N 119.817 -1.99 . . . . 0.0 108.08 176.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.464 ' HA ' ' HA ' ' A' ' 22' ' ' THR . 0.8 OUTLIER -104.5 164.84 11.46 Favored 'General case' 0 C--N 1.308 -1.208 0 N-CA-C 106.626 -1.62 . . . . 0.0 106.626 177.093 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.456 HD23 HG21 ' A' ' 61' ' ' ILE . 1.0 OUTLIER -61.61 -36.01 79.51 Favored 'General case' 0 C--O 1.202 -1.396 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 177.321 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -29.52 70.66 Favored 'General case' 0 C--O 1.268 2.055 0 C-N-CA 117.375 -1.73 . . . . 0.0 112.225 -179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.6 -39.46 70.78 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-O 122.42 1.105 . . . . 0.0 110.686 179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.531 ' O ' ' CG ' ' A' ' 60' ' ' ASN . 34.1 m-85 -90.84 4.65 51.2 Favored 'General case' 0 C--N 1.301 -1.524 0 CA-C-O 117.662 -1.161 . . . . 0.0 112.939 179.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.531 ' CG ' ' O ' ' A' ' 59' ' ' TYR . 11.8 p30 58.18 45.06 18.04 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 121.701 2.046 . . . . 0.0 111.226 179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.456 HG21 HD23 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -88.61 116.52 30.47 Favored 'Isoleucine or valine' 0 C--O 1.266 1.925 0 CA-C-O 115.221 -2.323 . . . . 0.0 106.178 175.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -103.59 169.66 8.4 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 126.012 2.07 . . . . 0.0 109.318 -176.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.9 pttp -54.87 142.89 27.7 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-O 123.259 1.504 . . . . 0.0 109.018 -176.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.54 ' O ' HD22 ' B' ' 8' ' ' LEU . 17.2 mm-40 67.06 19.21 10.52 Favored 'General case' 0 C--O 1.256 1.412 0 N-CA-C 117.868 2.544 . . . . 0.0 117.868 179.282 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.7 p -71.18 159.5 34.55 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 107.33 -1.359 . . . . 0.0 107.33 174.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.13 126.76 52.38 Favored 'General case' 0 C--N 1.307 -1.269 0 CA-C-O 118.209 -0.901 . . . . 0.0 108.865 175.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 mt -103.19 154.57 19.19 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-O 114.771 -2.538 . . . . 0.0 105.598 175.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.7 t-160 -105.7 135.58 46.87 Favored 'General case' 0 C--N 1.287 -2.149 0 O-C-N 127.418 2.949 . . . . 0.0 105.815 177.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.2 tp -106.8 115.81 30.84 Favored 'General case' 0 C--O 1.285 2.963 0 CA-C-O 117.64 -1.172 . . . . 0.0 111.518 176.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.421 HG13 ' HB2' ' A' ' 42' ' ' ARG . 11.5 p -108.01 139.89 28.47 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.91 0 N-CA-C 103.58 -2.748 . . . . 0.0 103.58 175.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 71' ' ' LEU . 1.2 mm? -96.08 138.98 32.92 Favored 'General case' 0 N--CA 1.481 1.088 0 CA-C-O 121.184 0.516 . . . . 0.0 109.86 178.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -48.29 78.88 Favored 'General case' 0 C--N 1.278 -2.538 0 CA-C-O 113.167 -3.302 . . . . 0.0 105.585 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.43 120.03 19.43 Favored 'General case' 0 C--N 1.29 -1.99 0 O-C-N 125.842 1.964 . . . . 0.0 109.66 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 25.5 ttm180 -108.61 122.31 46.82 Favored 'General case' 0 C--O 1.246 0.878 0 CA-C-N 113.609 -1.632 . . . . 0.0 108.797 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -155.75 79.16 0.19 Allowed Glycine 0 C--O 1.247 0.907 0 CA-C-N 114.562 -1.199 . . . . 0.0 115.181 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.483 0 N-CA-C 108.239 -1.944 . . . . 0.0 108.239 179.398 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.55 0.946 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -90.88 138.47 31.57 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 127.192 2.808 . . . . 0.0 108.774 178.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.523 HG23 ' N ' ' B' ' 4' ' ' PHE . 0.0 OUTLIER -131.09 163.09 37.94 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.271 0 CA-C-O 115.757 -2.068 . . . . 0.0 105.936 173.19 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.523 ' N ' HG23 ' B' ' 3' ' ' ILE . 19.5 m-30 -116.06 140.19 49.52 Favored 'General case' 0 N--CA 1.514 2.767 1 O-C-N 130.609 4.943 . . . . 0.0 108.564 179.731 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' VAL . . . . . 0.416 HG21 HD11 ' B' ' 15' ' ' LEU . 55.3 t -117.91 114.13 44.37 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 CA-C-O 113.337 -3.22 . . . . 0.0 105.786 175.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -95.12 127.56 41.27 Favored 'General case' 0 N--CA 1.502 2.157 1 O-C-N 129.241 4.088 . . . . 0.0 108.176 -178.106 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' THR . . . . . . . . . . . . . 22.8 m -99.59 170.81 8.33 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-O 117.779 -1.105 . . . . 0.0 109.286 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LEU . . . . . 0.54 HD22 ' O ' ' A' ' 64' ' ' GLU . 0.1 OUTLIER -73.33 -6.97 49.56 Favored 'General case' 0 N--CA 1.482 1.171 0 O-C-N 124.159 0.912 . . . . 0.0 112.888 -178.293 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -101.22 14.82 30.76 Favored 'General case' 0 N--CA 1.506 2.348 0 C-N-CA 115.652 -2.419 . . . . 0.0 112.038 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.43 16.73 80.07 Favored Glycine 0 C--N 1.296 -1.67 0 O-C-N 120.285 -1.509 . . . . 0.0 116.045 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.32 137.87 34.76 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 105.501 -2.037 . . . . 0.0 105.501 174.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' THR . . . . . . . . . . . . . 3.2 m -119.9 131.87 55.37 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 126.423 2.327 . . . . 0.0 106.167 176.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 1.6 mp -109.47 141.85 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 127.827 3.204 . . . . 0.0 109.14 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' THR . . . . . . . . . . . . . 2.9 t -101.23 139.89 36.29 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 117.017 -1.873 . . . . 0.0 108.364 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.416 HD11 HG21 ' B' ' 5' ' ' VAL . 33.5 mt -126.45 154.11 44.14 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 115.463 -2.208 . . . . 0.0 108.469 -179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -111.89 121.22 44.45 Favored 'General case' 0 N--CA 1.496 1.857 1 O-C-N 129.15 4.031 . . . . 0.0 103.47 174.052 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -139.12 170.62 15.78 Favored 'Isoleucine or valine' 0 C--O 1.252 1.201 0 O-C-N 127.767 3.167 . . . . 0.0 111.192 -177.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -120.12 144.62 38.17 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 112.051 -2.34 . . . . 0.0 106.297 174.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -54.9 -24.66 40.03 Favored 'Trans proline' 0 C--N 1.318 -1.053 0 C-N-CA 122.61 2.206 . . . . 0.0 111.618 177.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' SER . . . . . . . . . . . . . 43.4 t -79.96 -8.21 59.21 Favored 'General case' 0 C--O 1.241 0.646 0 CA-C-O 118.134 -0.936 . . . . 0.0 110.878 -177.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -71.0 148.49 47.58 Favored 'General case' 0 N--CA 1.489 1.478 0 C-N-CA 117.284 -1.766 . . . . 0.0 109.833 -179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 55' ' ' THR . 3.2 p -83.86 160.48 21.14 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ILE . . . . . 0.403 ' HB ' ' HA ' ' B' ' 52' ' ' ASP . 21.6 mm -61.42 -36.7 74.8 Favored 'Isoleucine or valine' 0 C--O 1.241 0.649 0 O-C-N 127.072 2.733 . . . . 0.0 110.446 175.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -56.2 -42.92 77.93 Favored 'General case' 0 C--O 1.252 1.188 0 O-C-N 120.436 -1.415 . . . . 0.0 110.979 176.29 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -64.37 -44.54 91.06 Favored 'General case' 0 C--O 1.25 1.117 0 C-N-CA 124.304 1.042 . . . . 0.0 111.42 -179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -58.62 -46.27 90.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.903 1.377 . . . . 0.0 108.982 178.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 17.9 mttt -60.83 -37.95 83.79 Favored 'General case' 0 C--O 1.255 1.364 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.858 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -66.2 -38.02 86.97 Favored 'General case' 0 C--O 1.278 2.573 0 O-C-N 123.384 0.428 . . . . 0.0 111.31 176.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.8 mttp -64.14 -37.35 87.15 Favored 'General case' 0 C--O 1.254 1.29 0 O-C-N 120.428 -1.42 . . . . 0.0 110.802 176.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -69.78 -39.77 78.3 Favored 'Isoleucine or valine' 0 C--O 1.255 1.361 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -61.91 -48.79 78.89 Favored 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 125.542 2.591 . . . . 0.0 109.1 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.45 -41.72 66.41 Favored 'General case' 0 C--O 1.256 1.426 0 CA-C-N 113.618 -1.628 . . . . 0.0 111.919 179.121 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . 0.325 0.0 OUTLIER -93.34 -24.45 18.11 Favored 'General case' 0 C--O 1.28 2.707 0 N-CA-C 117.235 2.309 . . . . 0.0 117.235 -175.919 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -123.66 -6.29 8.05 Favored 'General case' 0 C--N 1.306 -1.321 0 CA-C-N 122.879 2.581 . . . . 0.0 113.778 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.05 5.54 90.06 Favored Glycine 0 CA--C 1.475 -2.459 0 N-CA-C 118.757 2.263 . . . . 0.0 118.757 176.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . . . . . . . . . 80.1 mt -79.95 125.06 82.71 Favored Pre-proline 0 C--O 1.242 0.673 0 C-N-CA 118.694 -1.202 . . . . 0.0 111.012 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.438 ' HA ' ' HD3' ' B' ' 38' ' ' PRO . 82.1 Cg_exo -57.06 137.03 80.12 Favored 'Trans proline' 0 C--O 1.256 1.392 0 C-N-CA 123.02 2.48 . . . . 0.0 110.835 178.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 37' ' ' PRO . 53.8 Cg_exo -57.29 -32.2 93.05 Favored 'Trans proline' 0 C--O 1.261 1.658 0 O-C-N 122.999 0.999 . . . . 0.0 113.348 -179.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.32 -15.6 63.62 Favored 'General case' 0 C--O 1.263 1.816 0 O-C-N 120.045 -1.66 . . . . 0.0 112.23 -177.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.806 ' HB3' HD11 ' B' ' 71' ' ' LEU . 71.2 mt-30 -95.35 -10.65 29.49 Favored 'General case' 0 N--CA 1.48 1.066 0 O-C-N 120.443 -1.41 . . . . 0.0 112.327 178.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLN . . . . . . . . . . . . . 72.3 mt-30 -84.91 129.57 34.78 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-O 124.302 2.001 . . . . 0.0 115.688 -177.466 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ARG . . . . . . . . . . . . . 4.3 tpp180 -121.12 116.15 24.45 Favored 'General case' 0 C--O 1.298 3.613 0 N-CA-C 104.793 -2.299 . . . . 0.0 104.793 172.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 4.4 mp -103.57 130.22 50.95 Favored 'General case' 0 N--CA 1.484 1.234 0 CA-C-N 119.513 1.051 . . . . 0.0 109.964 -177.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.521 HD11 ' O ' ' C' ' 99' ' ' LYS . 2.2 mt -122.03 131.58 72.83 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.739 0 O-C-N 125.065 1.478 . . . . 0.0 112.018 -177.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.16 129.8 19.15 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 105.351 -2.092 . . . . 0.0 105.351 177.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.11 45.99 19.54 Favored 'General case' 0 N--CA 1.48 1.073 0 CA-C-N 112.051 -2.341 . . . . 0.0 110.69 177.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' GLY . . . . . . . . . . . . . . . 61.89 20.12 59.54 Favored Glycine 0 C--N 1.298 -1.539 0 C-N-CA 128.202 2.811 . . . . 0.0 117.358 -179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.79 143.82 39.09 Favored 'General case' 0 C--N 1.304 -1.392 0 CA-C-O 115.342 -2.266 . . . . 0.0 110.946 174.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . 0.551 ' HB2' ' HA ' ' C' ' 99' ' ' LYS . 0.0 OUTLIER -87.11 130.24 34.59 Favored 'General case' 0 C--N 1.28 -2.425 0 N-CA-C 104.047 -2.575 . . . . 0.0 104.047 173.294 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 5.3 mt -79.58 138.43 37.45 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-O 117.603 -1.189 . . . . 0.0 110.068 -175.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.91 139.99 36.79 Favored 'General case' 0 N--CA 1.477 0.893 0 O-C-N 125.198 1.562 . . . . 0.0 109.903 -177.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.403 ' HA ' ' HB ' ' B' ' 23' ' ' ILE . 1.6 p30 -48.22 -42.05 29.06 Favored 'General case' 0 C--O 1.261 1.685 0 N-CA-C 120.815 3.635 . . . . 0.0 120.815 -175.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.26 -8.45 85.29 Favored Glycine 0 CA--C 1.493 -1.304 0 N-CA-C 116.036 1.174 . . . . 0.0 116.036 -177.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' ARG . . . . . . . . . . . . . 2.0 mmt85 -85.65 165.4 17.03 Favored 'General case' 0 C--O 1.25 1.106 0 O-C-N 120.176 -1.779 . . . . 0.0 107.967 176.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 22' ' ' THR . 30.3 p -104.43 164.41 11.76 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 106.711 -1.588 . . . . 0.0 106.711 177.032 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.421 HD22 HD13 ' B' ' 61' ' ' ILE . 10.1 mt -60.93 -36.44 79.33 Favored 'General case' 0 C--O 1.2 -1.542 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 177.173 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' SER . . . . . . . . . . . . . 8.3 p -63.66 -29.7 70.9 Favored 'General case' 0 C--O 1.266 1.963 0 C-N-CA 117.285 -1.766 . . . . 0.0 112.297 -179.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.66 -39.12 70.48 Favored 'General case' 0 N--CA 1.485 1.292 0 CA-C-O 122.513 1.149 . . . . 0.0 110.798 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' TYR . . . . . 0.523 ' O ' ' CG ' ' B' ' 60' ' ' ASN . 61.7 m-85 -91.0 4.45 52.03 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 117.539 -1.22 . . . . 0.0 112.881 179.169 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.523 ' CG ' ' O ' ' B' ' 59' ' ' TYR . 11.9 p30 57.87 45.52 18.31 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 121.708 2.049 . . . . 0.0 111.305 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ILE . . . . . 0.421 HD13 HD22 ' B' ' 56' ' ' LEU . 6.7 mt -88.87 116.27 30.18 Favored 'Isoleucine or valine' 0 C--O 1.27 2.172 0 CA-C-O 115.05 -2.405 . . . . 0.0 106.189 175.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -103.41 169.57 8.46 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 126.153 2.158 . . . . 0.0 109.673 -176.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.91 142.96 27.63 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 123.175 1.464 . . . . 0.0 109.232 -176.576 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 66.94 19.2 10.63 Favored 'General case' 0 C--O 1.256 1.435 0 N-CA-C 117.822 2.527 . . . . 0.0 117.822 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' SER . . . . . . . . . . . . . 8.2 t -71.09 159.55 34.5 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 107.289 -1.374 . . . . 0.0 107.289 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' THR . . . . . . . . . . . . . 10.9 t -119.01 126.54 51.97 Favored 'General case' 0 C--N 1.307 -1.282 0 CA-C-O 118.238 -0.887 . . . . 0.0 108.842 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 mt -103.1 154.6 19.11 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-O 114.611 -2.614 . . . . 0.0 105.763 175.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' HIS . . . . . 0.42 ' NE2' HG22 ' B' ' 70' ' ' VAL . 5.9 t60 -105.56 135.89 46.14 Favored 'General case' 0 C--N 1.283 -2.309 0 O-C-N 127.564 3.04 . . . . 0.0 105.693 177.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 tt -107.17 115.79 30.8 Favored 'General case' 0 C--O 1.284 2.898 0 CA-C-O 117.633 -1.175 . . . . 0.0 111.341 176.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' VAL . . . . . 0.452 HG13 HD21 ' B' ' 8' ' ' LEU . 76.4 t -108.1 140.0 28.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.77 0 N-CA-C 103.468 -2.79 . . . . 0.0 103.468 175.134 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' LEU . . . . . 0.806 HD11 ' HB3' ' B' ' 40' ' ' GLN . 0.6 OUTLIER -96.16 -83.35 0.37 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.035 0.445 . . . . 0.0 109.802 178.395 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' ARG . . . . . 0.599 ' HB3' ' HA2' ' C' ' 101' ' ' GLY . 14.9 tpp180 58.9 88.65 0.06 Allowed 'General case' 0 C--N 1.277 -2.572 0 CA-C-O 113.361 -3.209 . . . . 0.0 105.513 -178.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.05 -70.4 0.12 Allowed 'General case' 0 C--N 1.293 -1.865 0 O-C-N 125.779 1.925 . . . . 0.0 109.783 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -127.1 131.4 50.86 Favored 'General case' 0 C--O 1.242 0.698 0 CA-C-N 113.811 -1.54 . . . . 0.0 108.752 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' GLY . . . . . . . . . . . . . . . -138.16 168.24 24.66 Favored Glycine 0 C--O 1.245 0.811 0 CA-C-N 114.871 -1.059 . . . . 0.0 115.16 -178.603 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.458 0 CA-C-O 116.574 -2.237 . . . . 0.0 108.309 178.872 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 33.4 t . . . . . 0 CA--C 1.511 -0.539 0 CA-C-O 121.916 0.865 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -156.8 19.61 0.32 Allowed 'General case' 0 C--N 1.29 -2.007 0 O-C-N 119.086 -2.259 . . . . 0.0 110.994 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.96 86.2 0.06 Allowed 'General case' 0 CA--C 1.51 -0.594 0 C-N-CA 126.779 2.032 . . . . 0.0 110.669 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -89.03 137.83 31.96 Favored 'General case' 0 C--O 1.216 -0.685 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.583 -178.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 32.8 mt -70.12 -39.61 75.34 Favored 'General case' 0 C--O 1.239 0.509 0 CA-C-O 121.717 0.77 . . . . 0.0 111.922 172.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 97.2 t -144.38 136.08 21.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 C-N-CA 125.203 1.401 . . . . 0.0 107.457 -178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -144.3 148.06 34.32 Favored 'General case' 0 CA--C 1.514 -0.419 0 C-N-CA 119.61 -0.836 . . . . 0.0 110.573 165.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -160.98 155.19 22.95 Favored 'General case' 0 C--N 1.321 -0.661 0 O-C-N 124.172 0.92 . . . . 0.0 111.198 173.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.23 127.8 33.69 Favored 'General case' 0 C--O 1.253 1.289 0 CA-C-N 114.265 -1.334 . . . . 0.0 112.331 178.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' ALA . . . . . . . . . . . . . . . -166.14 147.71 6.79 Favored 'General case' 0 C--O 1.251 1.179 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.023 179.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . -94.96 164.89 25.21 Favored Glycine 0 N--CA 1.446 -0.683 0 N-CA-C 108.235 -1.946 . . . . 0.0 108.235 175.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.2 -179.24 3.78 Favored 'General case' 0 CA--C 1.515 -0.403 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' MET . . . . . . . . . . . . . 7.8 mtt -137.13 161.03 37.26 Favored 'General case' 0 N--CA 1.44 -0.945 0 N-CA-C 107.395 -1.335 . . . . 0.0 107.395 174.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' SER . . . . . 0.473 ' CB ' ' HZ3' ' C' ' 34' ' ' LYS . 0.9 OUTLIER -136.62 156.49 48.48 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 118.098 -1.441 . . . . 0.0 108.704 177.409 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' LEU . . . . . 0.915 ' O ' HD22 ' C' ' 33' ' ' LEU . 0.0 OUTLIER -92.67 116.17 28.77 Favored 'General case' 0 N--CA 1.438 -1.061 0 N-CA-C 105.928 -1.879 . . . . 0.0 105.928 177.242 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' LYS . . . . . 0.473 ' HZ3' ' CB ' ' C' ' 32' ' ' SER . 0.0 OUTLIER -112.38 115.84 29.37 Favored 'General case' 0 C--O 1.237 0.443 0 N-CA-C 106.531 -1.655 . . . . 0.0 106.531 172.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' GLY . . . . . . . . . . . . . . . 64.3 -116.09 8.66 Favored Glycine 0 N--CA 1.445 -0.71 0 N-CA-C 108.271 -1.931 . . . . 0.0 108.271 -169.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' THR . . . . . . . . . . . . . 9.0 t -113.95 14.57 18.49 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.331 -0.434 . . . . 0.0 109.981 178.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' THR . . . . . . . . . . . . . 75.3 m -112.04 122.51 47.97 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -172.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' VAL . . . . . . . . . . . . . 2.4 m -76.14 120.02 25.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 174.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.1 119.35 26.53 Favored Pre-proline 0 C--O 1.244 0.805 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.231 -173.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.86 134.86 59.62 Favored 'Trans proline' 0 N--CA 1.46 -0.483 0 C-N-CA 117.924 -0.917 . . . . 0.0 111.827 173.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -85.76 132.19 34.18 Favored 'General case' 0 C--N 1.317 -0.82 0 N-CA-C 105.347 -2.094 . . . . 0.0 105.347 172.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.94 -11.2 59.61 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 113.641 0.978 . . . . 0.0 113.641 -172.275 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.13 144.45 56.06 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 114.26 1.208 . . . . 0.0 114.26 -173.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.16 125.6 26.89 Favored 'General case' 0 N--CA 1.443 -0.804 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 171.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' GLY . . . . . 0.445 ' HA3' ' HE1' ' C' ' 61' ' ' TRP . . . -132.37 171.22 21.6 Favored Glycine 0 C--N 1.316 -0.572 0 CA-C-O 123.204 1.447 . . . . 0.0 115.321 -179.054 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 3.0 tp -128.39 124.4 36.24 Favored 'General case' 0 N--CA 1.422 -1.861 0 N-CA-C 106.349 -1.723 . . . . 0.0 106.349 175.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -90.97 137.51 21.57 Favored 'Isoleucine or valine' 0 CA--C 1.496 -1.133 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 164.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -151.85 157.83 42.41 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.963 0.887 . . . . 0.0 112.999 175.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' ILE . . . . . 0.431 ' HA ' ' O ' ' C' ' 58' ' ' HIS . 9.9 mt -118.81 131.09 72.61 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 113.567 -1.651 . . . . 0.0 108.325 174.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.05 137.58 44.76 Favored 'General case' 0 CA--C 1.494 -1.208 0 N-CA-C 108.38 -0.97 . . . . 0.0 108.38 -178.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.12 122.08 42.42 Favored 'General case' 0 C--O 1.235 0.321 0 N-CA-C 108.142 -1.058 . . . . 0.0 108.142 170.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' THR . . . . . . . . . . . . . 33.3 p -84.05 171.08 13.24 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.298 177.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -71.53 -10.47 59.82 Favored 'General case' 0 C--O 1.222 -0.394 0 C-N-CA 119.641 -0.824 . . . . 0.0 113.198 -170.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -82.65 7.41 14.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.017 171.011 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 73.9 -1.33 3.1 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.49 1.516 . . . . 0.0 114.665 -177.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -74.82 149.91 39.46 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 122.18 0.991 . . . . 0.0 113.111 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' ILE . . . . . . . . . . . . . 19.4 mm -102.29 129.05 54.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.143 -177.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' HIS . . . . . 0.465 ' CE1' HD12 ' C' ' 74' ' ' ILE . 1.5 m80 -117.48 125.27 50.62 Favored 'General case' 0 CA--C 1.512 -0.51 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -176.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -98.79 118.98 36.76 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 106.806 -1.553 . . . . 0.0 106.806 171.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 60' ' ' CYS . . . . . . . . . . . . . 19.1 m -127.65 156.84 41.7 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -171.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 61' ' ' TRP . . . . . 0.445 ' HE1' ' HA3' ' C' ' 45' ' ' GLY . 67.0 t90 -130.43 128.26 40.95 Favored 'General case' 0 C--O 1.244 0.772 0 CA-C-N 113.528 -1.669 . . . . 0.0 108.755 169.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 62' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.68 134.28 55.29 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-N 114.11 -1.405 . . . . 0.0 109.773 -176.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 63' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -74.21 115.3 13.55 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 107.715 -1.217 . . . . 0.0 107.715 173.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -32.39 73.92 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 -176.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 65' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -72.51 -46.08 56.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 -175.044 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -91.52 -20.4 21.75 Favored 'General case' 0 C--O 1.219 -0.549 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.551 -176.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.51 2.67 60.52 Favored Glycine 0 CA--C 1.529 0.963 0 CA-C-O 119.743 -0.476 . . . . 0.0 113.748 -171.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 68' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -72.44 129.99 39.64 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.711 1.256 . . . . 0.0 113.195 178.58 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 69' ' ' VAL . . . . . 0.409 HG12 ' H ' ' C' ' 69' ' ' VAL . 0.8 OUTLIER -84.17 109.16 17.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 173.426 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 70' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -94.5 -28.84 15.24 Favored 'General case' 0 C--O 1.207 -1.183 0 C-N-CA 119.694 -0.803 . . . . 0.0 110.999 -171.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -121.99 135.63 54.86 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.82 0.819 . . . . 0.0 109.383 177.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -155.1 103.22 2.36 Favored 'General case' 0 CA--C 1.5 -0.948 0 N-CA-C 104.506 -2.405 . . . . 0.0 104.506 -178.199 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 73' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.0 123.24 45.23 Favored 'General case' 0 N--CA 1.436 -1.135 0 CA-C-N 114.329 -1.305 . . . . 0.0 109.304 -174.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 74' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' C' ' 58' ' ' HIS . 3.5 mm -75.77 124.24 33.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.861 0 CA-C-O 122.39 1.091 . . . . 0.0 111.729 168.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 75' ' ' ILE . . . . . 0.472 HD12 ' OD2' ' C' ' 79' ' ' ASP . 24.8 mm -122.94 130.3 74.56 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.386 0 CA-C-N 114.652 -1.158 . . . . 0.0 109.669 -174.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 76' ' ' PHE . . . . . 0.56 ' CZ ' HG21 ' A' ' 44' ' ' ILE . 0.0 OUTLIER -101.25 158.94 30.84 Favored Pre-proline 0 C--O 1.24 0.576 0 O-C-N 124.376 1.048 . . . . 0.0 110.885 173.695 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 77' ' ' PRO . . . . . 0.421 ' O ' ' CZ ' ' C' ' 76' ' ' PHE . 52.1 Cg_exo -54.28 133.88 58.04 Favored 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 122.893 2.395 . . . . 0.0 111.319 -179.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 78' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 69.53 6.83 5.91 Favored 'General case' 0 C--O 1.211 -0.926 0 N-CA-C 116.676 2.102 . . . . 0.0 116.676 -175.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 79' ' ' ASP . . . . . 0.472 ' OD2' HD12 ' C' ' 75' ' ' ILE . 0.0 OUTLIER -70.48 -33.48 71.3 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 119.01 0.823 . . . . 0.0 109.584 176.828 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 80' ' ' CYS . . . . . 0.487 ' HG ' ' HE1' ' C' ' 82' ' ' PHE . 18.1 p -154.97 168.1 28.1 Favored 'General case' 0 C--N 1.32 -0.711 0 C-N-CA 118.445 -1.302 . . . . 0.0 113.582 -173.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 81' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -133.38 139.33 46.72 Favored 'General case' 0 N--CA 1.44 -0.926 0 CA-C-N 113.473 -1.694 . . . . 0.0 107.009 -178.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 82' ' ' PHE . . . . . 0.535 ' CE1' HD22 ' C' ' 128' ' ' LEU . 2.6 m-85 -106.78 124.24 49.33 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 107.146 -1.428 . . . . 0.0 107.146 177.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 83' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -148.56 156.47 42.48 Favored 'General case' 0 C--N 1.318 -0.773 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -177.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 84' ' ' ARG . . . . . . . . . . . . . 30.9 ttm180 -67.79 142.73 56.12 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 177.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 85' ' ' VAL . . . . . . . . . . . . . 70.0 t -94.19 98.36 2.85 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 106.202 -1.777 . . . . 0.0 106.202 171.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 86' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_endo -61.02 -31.88 91.67 Favored 'Trans proline' 0 C--N 1.329 -0.48 0 N-CA-C 117.809 2.196 . . . . 0.0 117.809 -167.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 87' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -91.15 8.59 34.93 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 117.983 -1.487 . . . . 0.0 112.207 -164.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 88' ' ' CYS . . . . . . . . . . . . . 17.0 m -85.01 119.65 72.77 Favored Pre-proline 0 CA--C 1.514 -0.44 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 89' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -56.85 -19.98 33.92 Favored 'Trans proline' 0 C--N 1.346 0.416 0 O-C-N 122.99 0.995 . . . . 0.0 114.467 -173.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.55 -34.57 78.56 Favored 'General case' 0 N--CA 1.469 0.477 0 CA-C-N 118.347 0.521 . . . . 0.0 110.062 178.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 91' ' ' GLY . . . . . . . . . . . . . . . 68.47 13.04 64.8 Favored Glycine 0 CA--C 1.505 -0.549 0 O-C-N 123.963 0.789 . . . . 0.0 111.528 -172.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 92' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -120.99 17.07 11.72 Favored 'General case' 0 CA--C 1.514 -0.439 0 N-CA-C 116.295 1.961 . . . . 0.0 116.295 -179.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 93' ' ' VAL . . . . . . . . . . . . . 41.0 t -97.04 133.4 38.71 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.228 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 173.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 94' ' ' TYR . . . . . 0.767 ' CD2' ' HB2' ' C' ' 107' ' ' PHE . 0.0 OUTLIER -124.98 151.83 44.99 Favored 'General case' 0 CA--C 1.501 -0.941 0 O-C-N 125.467 1.729 . . . . 0.0 110.479 178.615 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 95' ' ' VAL . . . . . 0.561 ' N ' ' CD1' ' C' ' 94' ' ' TYR . 2.6 p -127.02 135.42 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.866 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 96' ' ' LEU . . . . . 0.561 ' HB2' ' OH ' ' C' ' 94' ' ' TYR . 0.0 OUTLIER -95.5 108.14 20.35 Favored 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 169.083 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 97' ' ' LYS . . . . . . . . . . . . . 5.0 tppt? -109.25 125.13 51.94 Favored 'General case' 0 CA--C 1.485 -1.553 0 N-CA-C 108.199 -1.037 . . . . 0.0 108.199 -171.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 98' ' ' PHE . . . . . 0.561 ' HE1' HD11 ' C' ' 96' ' ' LEU . 6.5 m-30 -84.74 115.58 22.78 Favored 'General case' 0 C--O 1.24 0.601 0 O-C-N 124.071 0.857 . . . . 0.0 109.226 176.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 99' ' ' LYS . . . . . 0.551 ' HA ' ' HB2' ' B' ' 49' ' ' GLN . 3.0 ttpp -63.37 -25.13 68.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.985 -1.007 . . . . 0.0 111.397 -169.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 100' ' ' ALA . . . . . . . . . . . . . . . -111.32 115.16 28.83 Favored 'General case' 0 CA--C 1.516 -0.339 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 173.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 101' ' ' GLY . . . . . 0.599 ' HA2' ' HB3' ' B' ' 72' ' ' ARG . . . 101.92 172.37 27.7 Favored Glycine 0 N--CA 1.448 -0.532 0 N-CA-C 110.726 -0.949 . . . . 0.0 110.726 -172.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 102' ' ' SER . . . . . . . . . . . . . 42.2 p -91.35 9.09 33.05 Favored 'General case' 0 C--N 1.316 -0.857 0 O-C-N 122.058 -0.672 . . . . 0.0 110.601 179.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.71 129.2 38.52 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 117.897 -1.521 . . . . 0.0 110.602 -165.059 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.04 141.72 46.21 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.967 175.822 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 105' ' ' LEU . . . . . . . . . . . . . 7.9 tp -124.51 126.24 45.53 Favored 'General case' 0 CA--C 1.501 -0.925 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 171.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 106' ' ' PHE . . . . . . . . . . . . . 81.1 m-85 -100.9 143.63 30.81 Favored 'General case' 0 N--CA 1.442 -0.874 0 O-C-N 124.698 1.249 . . . . 0.0 110.256 -177.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 107' ' ' PHE . . . . . 0.767 ' HB2' ' CD2' ' C' ' 94' ' ' TYR . 8.1 m-85 -137.09 156.66 48.1 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.545 -1.207 . . . . 0.0 109.234 178.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 108' ' ' TRP . . . . . . . . . . . . . 22.2 t90 -131.47 126.61 35.47 Favored 'General case' 0 N--CA 1.42 -1.964 0 C-N-CA 119.487 -0.885 . . . . 0.0 110.397 175.023 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.69 137.77 58.34 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.257 -174.663 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 110' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -118.82 3.93 11.56 Favored 'General case' 0 N--CA 1.428 -1.534 0 CA-C-N 114.625 -1.171 . . . . 0.0 110.31 179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 111' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -61.31 135.95 93.92 Favored Pre-proline 0 C--O 1.265 1.885 0 CA-C-O 123.107 1.432 . . . . 0.0 108.685 172.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 112' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -61.25 -41.39 42.63 Favored 'Trans proline' 0 C--O 1.246 0.893 0 C-N-CA 117.592 -1.139 . . . . 0.0 112.437 -174.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 113' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.08 146.93 24.23 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.487 173.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 114' ' ' THR . . . . . . . . . . . . . 1.2 m -83.37 -9.3 59.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.221 178.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -53.62 -33.77 56.17 Favored 'General case' 0 C--O 1.222 -0.375 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 -169.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 116' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -103.23 5.83 37.84 Favored 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 -174.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 117' ' ' ASP . . . . . . . . . . . . . 21.4 p-10 -56.88 -48.78 77.36 Favored 'General case' 0 C--O 1.233 0.212 0 C-N-CA 118.928 -1.109 . . . . 0.0 110.307 -177.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 118' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.82 -32.29 70.64 Favored 'General case' 0 N--CA 1.45 -0.467 0 C-N-CA 119.368 -0.933 . . . . 0.0 110.527 -173.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 119' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -44.06 80.35 Favored 'General case' 0 CA--C 1.554 1.134 0 CA-C-O 120.833 0.349 . . . . 0.0 110.882 175.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 120' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -55.65 -45.84 77.58 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.069 -1.02 . . . . 0.0 112.299 173.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 121' ' ' CYS . . . . . 0.806 ' O ' ' CG2' ' C' ' 124' ' ' VAL . 0.5 OUTLIER -60.59 -43.07 97.81 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-O 121.677 0.751 . . . . 0.0 110.352 178.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 122' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 -43.38 98.96 Favored 'General case' 0 C--O 1.242 0.682 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.124 -179.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 123' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -64.23 -42.38 96.57 Favored 'General case' 0 C--O 1.245 0.854 0 N-CA-C 112.878 0.696 . . . . 0.0 112.878 178.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 124' ' ' VAL . . . . . 0.806 ' CG2' ' O ' ' C' ' 121' ' ' CYS . 6.3 m -52.22 -51.94 28.07 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 120.206 -0.597 . . . . 0.0 110.422 175.476 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 125' ' ' ASN . . . . . 0.519 ' HA ' HD23 ' C' ' 128' ' ' LEU . 30.5 t-20 -60.33 -39.52 87.37 Favored 'General case' 0 N--CA 1.447 -0.618 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 126' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -65.22 -46.05 82.24 Favored 'General case' 0 CA--C 1.514 -0.439 0 CA-C-O 120.827 0.346 . . . . 0.0 111.502 -178.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 127' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -79.04 -24.37 43.64 Favored 'General case' 0 C--O 1.218 -0.598 0 C-N-CA 119.44 -0.904 . . . . 0.0 112.4 -174.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 128' ' ' LEU . . . . . 0.535 HD22 ' CE1' ' C' ' 82' ' ' PHE . 0.4 OUTLIER -79.14 -36.03 41.16 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 119.774 -0.77 . . . . 0.0 112.247 174.468 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 129' ' ' ASN . . . . . 0.473 ' N ' ' HG ' ' C' ' 128' ' ' LEU . 28.4 t-20 -110.75 -11.17 14.42 Favored 'General case' 0 CA--C 1.514 -0.42 0 N-CA-C 113.063 0.764 . . . . 0.0 113.063 -168.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 130' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 -141.16 71.85 27.47 Favored Pre-proline 0 N--CA 1.467 0.401 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 169.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 131' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -78.67 170.7 17.81 Favored 'Trans proline' 0 C--N 1.314 -1.253 0 C-N-CA 121.661 1.574 . . . . 0.0 111.641 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 132' ' ' PRO . . . . . . . . . . . . . 81.6 Cg_exo . . . . . 0 C--N 1.289 -2.553 0 C-N-CA 122.442 2.095 . . . . 0.0 111.617 179.795 . . . . . . . . 0 0 . 1 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